#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 2.39 -3.68 0.03 4.81 -1.26 -4.87 118.16 115.58 2ain n LYS 2 Ca 0.00 -3.38 -0.30 0.00 -0.87 0.00 0.00 58.31 53.76 2ain n LYS 2 Cb 0.00 -2.04 -0.15 0.00 0.02 0.00 0.00 35.03 32.86 2ain n LYS 2 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2ain s GLU 3 N -3.44 0.69 1.21 1.64 2.02 -1.26 -5.14 118.70 114.42 2ain s GLU 3 Ca 0.51 -1.13 -0.20 0.00 0.02 0.00 0.00 54.97 54.18 2ain s GLU 3 Cb 0.44 -1.85 0.31 0.00 0.10 0.00 0.00 34.13 33.12 2ain s GLU 3 CO 0.02 -1.03 0.69 -2.30 0.02 0.00 0.00 175.26 172.66 2ain n PRO 4 N 4.69 -4.01 -3.85 0.39 -0.02 -1.26 -4.99 135.00 125.95 2ain n PRO 4 Ca -0.00 -1.16 -0.33 0.00 -2.02 0.00 0.00 63.50 59.98 2ain n PRO 4 Cb 0.41 -1.58 -0.12 0.00 -0.02 0.00 0.00 33.50 32.18 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 -4.55 2.13 -0.37 -0.52 2.12 -1.26 -4.96 118.70 111.29 2ain s GLU 5 Ca 0.53 -2.37 -0.18 0.00 0.36 0.00 0.00 54.97 53.32 2ain s GLU 5 Cb -0.09 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.80 2ain s GLU 5 CO 0.45 -1.10 0.48 0.42 -0.54 0.00 0.00 175.26 174.96 2ain s ILE 6 N 0.17 5.04 0.10 -3.70 1.01 -1.26 -0.01 121.20 122.56 2ain s ILE 6 Ca 0.15 0.11 0.07 0.00 0.00 0.00 0.00 60.65 60.98 2ain s ILE 6 Cb -0.22 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 2ain s ILE 6 CO -0.03 -0.27 -0.18 0.27 0.00 0.00 0.00 174.94 174.73 2ain s ILE 7 N 2.30 1.51 -0.14 2.92 -4.36 0.11 -4.90 121.20 118.64 2ain s ILE 7 Ca 0.16 -1.51 -0.03 0.00 -0.26 0.00 0.00 60.65 59.02 2ain s ILE 7 Cb -0.16 -1.42 -0.03 0.00 1.25 0.00 0.00 42.46 42.10 2ain s ILE 7 CO 0.14 -0.15 -0.04 0.28 0.24 0.00 0.00 174.94 175.40 2ain s THR 8 N -1.32 3.85 -0.23 8.37 -1.32 -1.26 0.44 115.64 124.17 2ain s THR 8 Ca 0.05 -0.38 -0.07 0.00 -1.21 0.00 0.00 61.69 60.07 2ain s THR 8 Cb -0.09 -2.66 -0.03 0.00 -1.51 0.00 0.00 72.50 68.20 2ain s THR 8 CO 0.04 0.52 0.05 0.54 -2.21 0.00 0.00 174.62 173.56 2ain s VAL 9 N 0.12 4.30 -0.52 5.08 0.11 -1.07 -4.88 120.40 123.55 2ain s VAL 9 Ca -0.01 -0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 58.67 2ain s VAL 9 Cb -0.14 -2.99 0.08 0.00 -1.53 0.00 0.00 36.38 31.81 2ain s VAL 9 CO 0.03 0.38 0.58 -0.89 -3.33 0.00 0.00 175.10 171.87 2ain s THR 10 N 1.26 4.98 0.40 5.04 2.01 -1.25 -3.14 115.64 124.94 2ain s THR 10 Ca 0.04 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.24 2ain s THR 10 Cb -0.15 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 2ain s THR 10 CO 0.03 -0.83 0.06 -0.76 -0.69 0.00 0.00 174.62 172.42 2ain s LEU 11 N 2.31 2.27 -0.00 4.42 1.43 -0.54 -4.93 118.68 123.64 2ain s LEU 11 Ca 0.10 -1.52 0.06 0.00 -1.03 0.00 0.00 54.13 51.74 2ain s LEU 11 Cb -0.23 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 2ain s LEU 11 CO 0.08 -0.73 -0.17 -0.54 0.23 0.00 0.00 176.35 175.23 2ain s LYS 12 N -3.81 2.27 0.16 1.70 1.02 -1.26 -0.71 119.74 119.11 2ain s LYS 12 Ca 0.26 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 2ain s LYS 12 Cb 0.06 -2.26 -0.07 0.00 -0.52 0.00 0.00 37.83 35.03 2ain s LYS 12 CO 0.13 0.58 1.06 0.15 -0.92 0.00 0.00 175.35 176.35 2ain s LYS 13 N -1.08 4.63 -0.14 1.68 1.02 -0.17 -4.90 119.74 120.78 2ain s LYS 13 Ca 0.13 1.64 -0.10 0.00 0.02 0.00 0.00 55.97 57.66 2ain s LYS 13 Cb -0.11 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 2ain s LYS 13 CO 0.03 0.12 -0.20 1.04 -0.92 0.00 0.00 175.35 175.42 2ain n GLN 14 N 2.48 0.43 -2.10 1.68 1.13 -1.26 -4.88 117.38 114.86 2ain n GLN 14 Ca 0.03 0.45 -0.03 0.00 -1.94 0.00 0.00 57.00 55.50 2ain n GLN 14 Cb 0.47 -1.57 0.06 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 -4.42 -1.02 0.00 1.08 4.05 -1.26 -5.13 115.26 108.57 2ain n ASN 15 Ca -0.08 -2.13 0.00 0.00 0.45 0.00 0.00 54.58 52.82 2ain n ASN 15 Cb 0.29 0.45 0.00 0.00 1.23 0.00 0.00 39.78 41.75 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ain n GLY 16 N -0.91 3.62 0.19 8.20 0.00 -1.26 -5.01 105.19 110.02 2ain n GLY 16 Ca -0.19 -1.57 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.40 -4.31 1.61 2.86 -1.97 -3.37 114.93 109.35 2ain h MET 17 Ca 0.00 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2ain h MET 17 Cb 0.00 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2ain h MET 17 CO 0.00 -0.26 -0.33 0.41 1.06 0.00 0.00 176.91 177.79 2ain n GLY 18 N 0.63 -1.39 3.81 8.32 0.00 -1.26 -4.09 105.19 111.21 2ain n GLY 18 Ca -0.05 0.63 -0.08 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.81 0.02 0.03 0.99 0.05 -1.26 0.83 118.68 117.53 2ain s LEU 19 Ca 0.13 -1.13 0.02 0.00 0.05 0.00 0.00 54.13 53.19 2ain s LEU 19 Cb -0.04 2.77 -0.02 0.00 -2.05 0.00 0.00 46.19 46.86 2ain s LEU 19 CO 0.45 -1.64 -0.07 -0.44 -0.55 0.00 0.00 176.35 174.11 2ain s SER 20 N -3.12 0.70 0.07 1.48 0.01 0.13 -4.85 113.70 108.12 2ain s SER 20 Ca 0.17 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.94 2ain s SER 20 Cb -0.05 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2ain s SER 20 CO 0.11 -0.20 -0.06 0.27 0.41 0.00 0.00 173.24 173.77 2ain s ILE 21 N -1.29 0.55 0.04 1.44 -5.25 -1.26 0.38 121.20 115.81 2ain s ILE 21 Ca -0.10 -1.68 0.06 0.00 -0.99 0.00 0.00 60.65 57.94 2ain s ILE 21 Cb -0.09 -1.35 -0.02 0.00 2.95 0.00 0.00 42.46 43.94 2ain s ILE 21 CO 0.00 -0.77 -0.17 -0.69 -1.79 0.00 0.00 174.94 171.52 2ain s VAL 22 N -3.08 1.34 -0.08 8.37 1.01 0.23 -4.66 120.40 123.54 2ain s VAL 22 Ca 0.05 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 2ain s VAL 22 Cb 0.02 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2ain s VAL 22 CO -0.04 0.09 0.12 0.00 0.00 0.00 0.00 175.10 175.26 2ain s ALA 23 N -0.83 3.75 -0.02 5.51 0.00 -1.26 -0.17 121.76 128.74 2ain s ALA 23 Ca 0.04 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 2ain s ALA 23 Cb -0.08 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2ain s ALA 23 CO 0.01 0.65 0.08 0.00 0.00 0.00 0.00 175.76 176.51 2ain s ALA 24 N -1.09 -0.20 0.65 0.00 0.00 -1.12 -5.00 121.76 115.02 2ain s ALA 24 Ca 0.18 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.29 2ain s ALA 24 Cb -0.12 -0.08 0.12 0.00 0.00 0.00 0.00 23.12 23.04 2ain s ALA 24 CO 0.08 -0.08 0.89 1.63 0.00 0.00 0.00 175.76 178.28 2ain n LYS 25 N 2.66 0.23 -3.58 0.00 4.76 -1.26 -2.38 118.16 118.59 2ain n LYS 25 Ca -0.15 -2.83 -0.16 0.00 -2.87 0.00 0.00 58.31 52.31 2ain n LYS 25 Cb 0.58 -0.46 -0.07 0.00 -1.84 0.00 0.00 35.03 33.25 2ain n LYS 25 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2ain s GLY 26 N -4.82 -0.55 0.35 0.72 0.00 -1.26 -4.94 107.32 96.82 2ain s GLY 26 Ca 0.62 1.64 -0.28 0.00 0.00 0.00 0.00 44.72 46.71 2ain s GLY 26 CO 0.40 1.33 1.25 0.00 0.00 0.00 0.00 173.10 176.08 2ain s ALA 27 N -0.40 3.37 -1.48 3.20 0.00 -1.26 -2.38 121.76 122.80 2ain s ALA 27 Ca -0.05 1.15 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 2ain s ALA 27 Cb -0.03 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.68 2ain s ALA 27 CO 0.05 -0.59 0.51 0.41 0.00 0.00 0.00 175.76 176.15 2ain n GLY 28 N 0.80 -0.51 2.69 0.00 0.00 -1.26 -4.95 105.19 101.95 2ain n GLY 28 Ca 0.01 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 2ain n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ain s GLN 29 N -5.71 0.42 -0.17 1.61 -1.52 -1.00 -5.01 119.66 108.28 2ain s GLN 29 Ca 0.29 -0.30 0.03 0.00 -1.95 0.00 0.00 55.36 53.43 2ain s GLN 29 Cb -0.14 -2.00 0.31 0.00 -0.22 0.00 0.00 33.01 30.97 2ain s GLN 29 CO 0.36 -0.66 1.31 -3.47 -0.25 0.00 0.00 175.29 172.59 2ain n ASP 30 N 5.14 3.27 -1.97 5.90 2.03 -1.26 -4.54 116.55 125.12 2ain n ASP 30 Ca -0.08 -2.63 -0.07 0.00 0.52 0.00 0.00 54.79 52.53 2ain n ASP 30 Cb 0.48 -0.63 -0.02 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 -0.10 0.55 -3.77 -0.67 4.01 -1.26 -4.79 118.16 112.13 2ain n LYS 31 Ca 0.23 -1.00 -0.13 0.00 -0.51 0.00 0.00 58.31 56.90 2ain n LYS 31 Cb 0.93 0.65 -0.14 0.00 -0.51 0.00 0.00 35.03 35.96 2ain n LYS 31 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ain s LEU 32 N 0.00 0.98 -0.27 -0.35 1.02 -1.26 -4.58 118.68 114.22 2ain s LEU 32 Ca 0.08 0.27 -0.17 0.00 0.02 0.00 0.00 54.13 54.33 2ain s LEU 32 Cb 0.00 0.35 -0.03 0.00 0.02 0.00 0.00 46.19 46.54 2ain s LEU 32 CO 0.06 -0.12 0.49 -0.83 0.02 0.00 0.00 176.35 175.97 2ain s GLY 33 N 0.84 1.85 -0.55 -3.19 0.00 -1.00 -4.34 107.32 100.93 2ain s GLY 33 Ca -0.06 -0.69 -0.23 0.00 0.00 0.00 0.00 44.72 43.73 2ain s GLY 33 CO -0.04 1.19 0.87 -0.42 0.00 0.00 0.00 173.10 174.69 2ain s ILE 34 N 2.27 4.50 0.43 0.90 -1.09 -1.26 -2.78 121.20 124.17 2ain s ILE 34 Ca 0.20 0.04 0.07 0.00 -2.23 0.00 0.00 60.65 58.72 2ain s ILE 34 Cb -0.16 -4.49 0.01 0.00 -1.58 0.00 0.00 42.46 36.24 2ain s ILE 34 CO 0.10 -1.07 0.59 -0.31 -1.23 0.00 0.00 174.94 173.02 2ain s TYR 35 N 3.63 2.83 -0.07 3.97 1.51 0.76 -0.51 117.35 129.48 2ain s TYR 35 Ca 0.26 -0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 55.86 2ain s TYR 35 Cb -0.15 -2.40 -0.05 0.00 -0.11 0.00 0.00 41.96 39.26 2ain s TYR 35 CO 0.17 -0.44 0.27 0.08 -1.11 0.00 0.00 175.55 174.51 2ain s VAL 36 N -2.38 5.28 -0.26 0.71 1.01 -0.37 0.78 120.40 125.17 2ain s VAL 36 Ca 0.55 0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.97 2ain s VAL 36 Cb -0.10 -3.55 -0.14 0.00 0.00 0.00 0.00 36.38 32.59 2ain s VAL 36 CO 0.33 0.59 -0.29 1.17 0.00 0.00 0.00 175.10 176.91 2ain n LYS 37 N 1.99 0.59 -3.83 2.72 3.00 0.16 -0.07 118.16 122.72 2ain n LYS 37 Ca -0.17 0.20 -0.06 0.00 -0.00 0.00 0.00 58.31 58.28 2ain n LYS 37 Cb 0.54 -1.47 -0.02 0.00 0.00 0.00 0.00 35.03 34.07 2ain n LYS 37 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2ain s SER 38 N -6.94 -0.24 -0.15 3.14 0.01 -1.12 -4.70 113.70 103.70 2ain s SER 38 Ca -0.36 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.34 2ain s SER 38 Cb 0.12 0.67 0.04 0.00 0.21 0.00 0.00 66.02 67.06 2ain s SER 38 CO 0.52 -1.23 -0.01 0.68 0.41 0.00 0.00 173.24 173.61 2ain s VAL 39 N -3.76 0.72 0.03 3.43 -7.23 -1.26 0.20 120.40 112.53 2ain s VAL 39 Ca 0.11 -0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 59.60 2ain s VAL 39 Cb -0.05 -0.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.85 2ain s VAL 39 CO 0.06 0.07 1.37 -0.69 -0.31 0.00 0.00 175.10 175.59 2ain s VAL 40 N 1.80 3.67 0.63 1.32 1.01 0.24 -4.93 120.40 124.14 2ain s VAL 40 Ca 0.02 1.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.92 2ain s VAL 40 Cb -0.15 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2ain s VAL 40 CO -0.07 0.03 1.31 0.29 0.00 0.00 0.00 175.10 176.66 2ain n LYS 41 N 4.85 1.25 0.00 2.72 4.01 -1.26 -3.09 118.16 126.64 2ain n LYS 41 Ca 0.12 0.48 0.00 0.00 -0.51 0.00 0.00 58.31 58.40 2ain n LYS 41 Cb 0.44 -2.55 0.00 0.00 -0.51 0.00 0.00 35.03 32.41 2ain n LYS 41 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ain n GLY 42 N 0.88 3.27 0.00 0.72 0.00 -1.26 -5.04 105.19 103.76 2ain n GLY 42 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.20 -2.22 0.10 -0.02 0.00 -1.18 -4.90 105.19 95.78 2ain n GLY 43 Ca 0.00 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 2ain n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ain n ALA 44 N -3.00 0.70 -0.32 4.61 0.00 -1.26 -3.73 120.51 117.52 2ain n ALA 44 Ca 0.00 -0.49 0.17 0.00 0.00 0.00 0.00 53.44 53.12 2ain n ALA 44 Cb 0.00 -0.38 0.41 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.65 1.93 0.31 0.00 0.00 -1.94 0.36 119.26 119.27 2ain h ALA 45 Ca -0.26 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2ain h ALA 45 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2ain h ALA 45 CO -0.16 -0.30 -0.15 0.22 0.00 0.00 0.00 179.25 178.87 2ain h ASP 46 N 0.59 -0.35 0.07 0.00 3.58 -1.87 -2.35 116.42 116.09 2ain h ASP 46 Ca 0.57 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.79 2ain h ASP 46 Cb 1.12 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2ain h ASP 46 CO -0.33 0.08 -0.13 0.58 -2.88 0.00 0.00 179.24 176.56 2ain h VAL 47 N -0.88 1.15 0.49 2.25 2.07 -1.53 -3.13 116.25 116.68 2ain h VAL 47 Ca -0.04 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 2ain h VAL 47 Cb 0.52 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2ain h VAL 47 CO 0.07 0.21 -0.24 0.44 0.02 0.00 0.00 177.57 178.07 2ain h ASP 48 N 0.14 -0.56 -1.61 0.57 3.32 -0.31 -3.49 116.42 114.48 2ain h ASP 48 Ca 0.03 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2ain h ASP 48 Cb 0.33 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2ain h ASP 48 CO 0.02 -0.21 0.00 0.61 -1.72 0.00 0.00 179.24 177.94 2ain n GLY 49 N -0.55 0.81 0.56 2.75 0.00 -0.88 -5.05 105.19 102.83 2ain n GLY 49 Ca -0.11 -0.46 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.80 0.01 -4.53 1.61 5.12 -1.26 -5.11 116.66 111.71 2ain n ARG 50 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 2ain n ARG 50 Cb 0.29 -0.73 -0.09 0.00 -1.16 0.00 0.00 32.46 30.77 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 -5.58 2.08 0.00 0.55 0.05 -1.26 -5.13 118.68 109.38 2ain s LEU 51 Ca -0.01 -1.59 -0.05 0.00 0.05 0.00 0.00 54.13 52.53 2ain s LEU 51 Cb 0.00 -0.26 0.02 0.00 -2.05 0.00 0.00 46.19 43.91 2ain s LEU 51 CO 0.01 -0.83 0.30 0.00 -0.55 0.00 0.00 176.35 175.27 2ain n ALA 52 N -0.89 -0.63 -2.10 1.48 0.00 -1.26 -4.87 120.51 112.24 2ain n ALA 52 Ca -0.06 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 2ain n ALA 52 Cb 0.66 0.42 -0.03 0.00 0.00 0.00 0.00 19.45 20.49 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 -1.51 3.63 0.00 0.00 0.00 -1.26 -3.44 121.76 119.18 2ain s ALA 53 Ca 0.07 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2ain s ALA 53 Cb -0.02 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2ain s ALA 53 CO 0.05 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2ain n GLY 54 N 3.68 1.78 3.33 0.00 0.00 0.89 -4.95 105.19 109.92 2ain n GLY 54 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2ain n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ain s ASP 55 N -2.00 3.29 0.42 1.61 1.11 -1.22 -4.56 116.67 115.32 2ain s ASP 55 Ca 0.00 -0.42 -0.16 0.00 0.18 0.00 0.00 52.55 52.14 2ain s ASP 55 Cb 0.00 -0.65 -0.09 0.00 1.07 0.00 0.00 42.92 43.26 2ain s ASP 55 CO 0.00 0.30 0.87 -1.58 1.18 0.00 0.00 175.17 175.94 2ain s GLN 56 N -0.46 4.02 0.04 8.23 0.74 -1.26 -1.23 119.66 129.73 2ain s GLN 56 Ca 0.05 0.84 0.09 0.00 0.05 0.00 0.00 55.36 56.39 2ain s GLN 56 Cb -0.12 -2.27 -0.03 0.00 1.10 0.00 0.00 33.01 31.70 2ain s GLN 56 CO 0.01 -0.05 -0.25 -0.51 -0.55 0.00 0.00 175.29 173.95 2ain s LEU 57 N -3.48 2.24 0.04 3.68 1.02 0.33 -2.50 118.68 120.01 2ain s LEU 57 Ca 0.57 -0.55 -0.03 0.00 0.02 0.00 0.00 54.13 54.14 2ain s LEU 57 Cb -0.10 -1.33 -0.01 0.00 0.02 0.00 0.00 46.19 44.77 2ain s LEU 57 CO 0.22 0.27 -0.07 0.18 0.02 0.00 0.00 176.35 176.97 2ain n LEU 58 N 1.80 1.21 -4.38 1.79 4.77 -0.73 -4.21 117.00 117.25 2ain n LEU 58 Ca -0.17 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 2ain n LEU 58 Cb 0.52 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 2ain n LEU 58 CO 0.24 -0.65 -0.49 -0.44 -1.33 0.00 0.00 177.39 174.72 2ain s SER 59 N -5.91 3.03 -0.07 -1.43 0.01 -1.26 -4.03 113.70 104.05 2ain s SER 59 Ca -0.05 -0.92 -0.03 0.00 1.31 0.00 0.00 55.95 56.26 2ain s SER 59 Cb 0.01 -0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.07 2ain s SER 59 CO 0.08 -0.00 0.12 -0.69 0.41 0.00 0.00 173.24 173.16 2ain s VAL 60 N -2.20 -0.19 -1.47 3.43 1.01 -0.78 -1.65 120.40 118.54 2ain s VAL 60 Ca 0.21 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 2ain s VAL 60 Cb -0.05 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.12 2ain s VAL 60 CO 0.09 0.16 0.61 -0.67 0.00 0.00 0.00 175.10 175.29 2ain n ASP 61 N 5.24 -5.46 -0.54 3.32 2.03 0.03 -1.02 116.55 120.15 2ain n ASP 61 Ca -0.06 -0.34 -0.07 0.00 0.52 0.00 0.00 54.79 54.85 2ain n ASP 61 Cb 0.50 -4.42 -0.03 0.00 -0.72 0.00 0.00 41.12 36.45 2ain n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ain n GLY 62 N -1.46 0.80 3.54 0.27 0.00 -1.26 -4.95 105.19 102.13 2ain n GLY 62 Ca -0.08 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.77 2.20 -0.47 1.61 0.52 -0.18 -5.10 118.95 114.74 2ain s ARG 63 Ca 0.00 -0.94 -0.14 0.00 -0.52 0.00 0.00 55.73 54.13 2ain s ARG 63 Cb 0.00 -2.30 0.09 0.00 0.52 0.00 0.00 34.95 33.26 2ain s ARG 63 CO 0.00 0.54 0.38 -1.12 0.02 0.00 0.00 175.30 175.12 2ain s SER 64 N -1.74 6.01 -0.53 0.23 0.01 -1.26 -1.87 113.70 114.54 2ain s SER 64 Ca 0.18 -1.51 0.02 0.00 1.31 0.00 0.00 55.95 55.94 2ain s SER 64 Cb -0.11 -2.13 0.44 0.00 0.21 0.00 0.00 66.02 64.43 2ain s SER 64 CO 0.09 -0.67 1.64 0.00 0.41 0.00 0.00 173.24 174.71 2ain n LEU 65 N 5.13 6.40 -4.46 2.44 -0.00 -1.26 -4.96 117.00 120.30 2ain n LEU 65 Ca -0.12 -4.61 -0.43 0.00 -0.00 0.00 0.00 56.01 50.85 2ain n LEU 65 Cb 0.42 -0.71 -0.04 0.00 -0.00 0.00 0.00 43.42 43.10 2ain n LEU 65 CO 0.47 1.81 0.79 -0.69 -0.00 0.00 0.00 177.39 179.76 2ain s VAL 66 N -4.85 4.31 0.00 1.47 1.01 -1.26 -3.88 120.40 117.20 2ain s VAL 66 Ca 0.57 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2ain s VAL 66 Cb 0.45 -4.70 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2ain s VAL 66 CO -0.06 -1.48 0.00 0.61 0.00 0.00 0.00 175.10 174.17 2ain n GLY 67 N 5.35 0.99 3.30 4.51 0.00 -1.26 -4.87 105.19 113.20 2ain n GLY 67 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 2.49 0.74 0.99 1.43 -1.25 -4.85 118.68 118.23 2ain s LEU 68 Ca 0.00 -0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 52.06 2ain s LEU 68 Cb 0.00 -0.61 0.04 0.00 0.03 0.00 0.00 46.19 45.65 2ain s LEU 68 CO 0.00 -0.17 1.09 -0.94 0.23 0.00 0.00 176.35 176.56 2ain s SER 69 N -2.93 4.75 0.28 2.29 1.04 -1.26 -4.64 113.70 113.23 2ain s SER 69 Ca 0.16 1.80 0.01 0.00 0.48 0.00 0.00 55.95 58.40 2ain s SER 69 Cb -0.02 -2.52 0.53 0.00 0.10 0.00 0.00 66.02 64.11 2ain s SER 69 CO 0.05 -1.87 1.84 -0.61 0.98 0.00 0.00 173.24 173.62 2ain h GLN 70 N -0.92 0.97 -0.39 4.02 4.15 -1.98 0.16 115.11 121.12 2ain h GLN 70 Ca -0.44 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 58.97 2ain h GLN 70 Cb 1.23 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 2ain h GLN 70 CO 0.53 0.64 0.15 1.49 -1.93 0.00 0.00 178.83 179.71 2ain h GLU 71 N 1.00 0.31 -0.41 1.69 4.57 -2.00 -1.49 114.58 118.25 2ain h GLU 71 Ca 0.49 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.52 2ain h GLU 71 Cb 0.46 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2ain h GLU 71 CO -0.26 0.20 -0.27 0.00 -1.18 0.00 0.00 179.01 177.50 2ain h ARG 72 N 0.32 0.87 0.26 1.92 2.47 -1.63 -2.27 114.38 116.31 2ain h ARG 72 Ca 0.18 -0.39 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 2ain h ARG 72 Cb 0.14 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.40 2ain h ARG 72 CO -0.17 1.03 -0.50 0.00 0.56 0.00 0.00 179.97 180.89 2ain h ALA 73 N 0.95 -1.00 0.28 0.04 0.00 -0.06 0.57 119.26 120.04 2ain h ALA 73 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ain h ALA 73 Cb 0.82 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2ain h ALA 73 CO 0.07 -1.12 -0.15 0.00 0.00 0.00 0.00 179.25 178.05 2ain h ALA 74 N -0.58 -1.08 -0.76 0.00 0.00 -1.33 -2.85 119.26 112.66 2ain h ALA 74 Ca -0.02 -0.09 0.30 0.00 0.00 0.00 0.00 54.91 55.10 2ain h ALA 74 Cb 0.79 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 2ain h ALA 74 CO -0.20 -1.05 0.34 -1.91 0.00 0.00 0.00 179.25 176.43 2ain n GLU 75 N -3.12 -0.05 -0.01 0.00 2.13 -0.86 0.70 120.64 119.44 2ain n GLU 75 Ca -0.05 1.07 -0.12 0.00 0.66 0.00 0.00 57.16 58.72 2ain n GLU 75 Cb 0.16 -1.87 -0.07 0.00 0.27 0.00 0.00 31.44 29.93 2ain n GLU 75 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2ain h LEU 76 N 0.00 0.10 -0.72 4.31 3.38 -0.69 -2.15 115.31 119.55 2ain h LEU 76 Ca 0.61 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 58.27 2ain h LEU 76 Cb 1.57 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 2ain h LEU 76 CO -0.61 0.25 -0.52 0.24 0.09 0.00 0.00 178.44 177.89 2ain h MET 77 N -0.06 0.32 0.00 1.13 2.86 0.50 -2.92 114.93 116.75 2ain h MET 77 Ca 0.02 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 2ain h MET 77 Cb 0.19 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 2ain h MET 77 CO -0.00 0.76 -0.15 1.15 1.06 0.00 0.00 176.91 179.73 2ain h THR 78 N 0.25 1.03 -0.72 2.22 2.02 -0.56 -2.84 112.91 114.31 2ain h THR 78 Ca 0.01 -0.53 -0.42 0.00 0.77 0.00 0.00 66.41 66.24 2ain h THR 78 Cb 1.00 1.29 -0.17 0.00 -1.74 0.00 0.00 68.15 68.54 2ain h THR 78 CO 0.09 0.15 0.48 -2.11 0.37 0.00 0.00 175.52 174.49 2ain n ARG 79 N -4.25 2.08 -2.94 6.66 1.85 -0.82 -4.94 116.66 114.30 2ain n ARG 79 Ca -0.02 -2.01 -0.18 0.00 -1.00 0.00 0.00 57.85 54.64 2ain n ARG 79 Cb 0.22 -1.84 0.02 0.00 -1.05 0.00 0.00 32.46 29.81 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 -2.65 2.92 0.00 8.89 -4.23 -1.07 -5.04 115.64 114.45 2ain s THR 80 Ca 0.43 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2ain s THR 80 Cb 0.31 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2ain s THR 80 CO -0.07 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.47 2ain n SER 81 N -1.95 0.00 -0.36 3.99 3.41 -1.26 -4.99 113.62 112.46 2ain n SER 81 Ca 0.08 -0.14 0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2ain n SER 81 Cb 0.59 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.74 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 0.00 1.00 -3.74 4.04 0.02 -1.95 -3.42 113.55 109.51 2ain h SER 82 Ca 0.00 0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 60.47 2ain h SER 82 Cb 0.00 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 2ain h SER 82 CO 0.00 0.63 0.21 -0.69 -1.14 0.00 0.00 176.83 175.84 2ain s VAL 83 N -6.00 4.43 -0.04 2.27 1.01 -1.26 -1.00 120.40 119.81 2ain s VAL 83 Ca -0.12 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.32 2ain s VAL 83 Cb 0.20 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.74 2ain s VAL 83 CO 0.81 0.11 0.04 -0.69 0.00 0.00 0.00 175.10 175.37 2ain s VAL 84 N -1.65 0.03 -0.35 2.92 1.01 0.11 -4.94 120.40 117.53 2ain s VAL 84 Ca 0.48 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.80 2ain s VAL 84 Cb -0.16 -0.24 0.10 0.00 0.00 0.00 0.00 36.38 36.08 2ain s VAL 84 CO 0.21 0.19 0.08 0.42 0.00 0.00 0.00 175.10 175.99 2ain s THR 85 N 1.92 2.02 -0.31 3.92 -4.23 -1.25 -1.47 115.64 116.25 2ain s THR 85 Ca 0.02 -2.24 -0.08 0.00 -1.18 0.00 0.00 61.69 58.21 2ain s THR 85 Cb -0.12 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2ain s THR 85 CO -0.03 -0.63 0.12 -0.76 -0.54 0.00 0.00 174.62 172.77 2ain s LEU 86 N 0.95 4.00 -1.02 4.79 2.01 -1.19 -0.79 118.68 127.43 2ain s LEU 86 Ca 0.11 -0.63 -0.22 0.00 0.01 0.00 0.00 54.13 53.40 2ain s LEU 86 Cb -0.19 -1.94 0.06 0.00 0.01 0.00 0.00 46.19 44.13 2ain s LEU 86 CO -0.11 -0.20 1.42 -1.61 1.01 0.00 0.00 176.35 176.86 2ain s GLU 87 N 1.55 3.61 0.20 1.70 2.02 -0.66 -2.59 118.70 124.54 2ain s GLU 87 Ca 0.03 -1.26 -0.07 0.00 0.02 0.00 0.00 54.97 53.70 2ain s GLU 87 Cb -0.17 -5.31 -0.06 0.00 0.10 0.00 0.00 34.13 28.69 2ain s GLU 87 CO 0.04 -2.15 0.47 0.54 0.02 0.00 0.00 175.26 174.18 2ain s VAL 88 N 4.61 5.05 -0.04 2.63 0.11 0.17 -1.77 120.40 131.16 2ain s VAL 88 Ca 0.45 0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 59.68 2ain s VAL 88 Cb -0.00 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.17 2ain s VAL 88 CO -0.09 -0.06 0.11 0.00 -3.33 0.00 0.00 175.10 171.74 2ain s ALA 89 N -1.78 3.72 -1.33 1.54 0.00 -1.04 0.07 121.76 122.94 2ain s ALA 89 Ca 0.44 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.46 2ain s ALA 89 Cb -0.12 -1.74 0.08 0.00 0.00 0.00 0.00 23.12 21.35 2ain s ALA 89 CO 0.24 0.68 1.82 1.17 0.00 0.00 0.00 175.76 179.67 2ain n LYS 90 N 1.39 3.16 -4.61 0.00 3.00 0.99 -4.51 118.16 117.59 2ain n LYS 90 Ca -0.15 -3.21 -0.28 0.00 -0.00 0.00 0.00 58.31 54.67 2ain n LYS 90 Cb 0.53 -3.36 -0.08 0.00 0.00 0.00 0.00 35.03 32.12 2ain n LYS 90 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2ain s GLN 91 N 3.43 2.02 0.00 1.64 -2.07 -1.26 -4.48 119.66 118.94 2ain s GLN 91 Ca 0.50 -2.25 0.00 0.00 -1.82 0.00 0.00 55.36 51.79 2ain s GLN 91 Cb 0.06 -1.01 0.00 0.00 -1.09 0.00 0.00 33.01 30.96 2ain s GLN 91 CO 0.03 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 2ain n GLY 92 N -1.04 3.11 0.90 2.60 0.00 -1.26 -4.90 105.19 104.60 2ain n GLY 92 Ca -0.11 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.30 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32