#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omv h LEU -1 N 0.00 -0.39 0.00 1.53 5.85 -1.98 -3.41 115.31 116.92 2omv h LEU -1 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2omv h LEU -1 Cb 0.00 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2omv h LEU -1 CO 0.00 -0.16 0.00 0.61 -0.34 0.00 0.00 178.44 178.55 2omv n GLY 0 N -1.27 3.43 1.06 3.75 0.00 -1.26 -1.74 105.19 109.16 2omv n GLY 0 Ca -0.03 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.14 2omv n GLY 0 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2omv n SER 1 N 5.00 3.97 -4.76 1.61 7.64 -1.26 -5.01 113.62 120.81 2omv n SER 1 Ca 0.00 -2.60 -0.41 0.00 1.01 0.00 0.00 58.87 56.88 2omv n SER 1 Cb 0.00 -0.48 0.01 0.00 -1.01 0.00 0.00 64.21 62.73 2omv n SER 1 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2omv n TRP 2 N 0.24 2.78 -3.77 1.43 7.02 -0.71 -0.83 117.44 123.60 2omv n TRP 2 Ca 0.20 0.45 -0.28 0.00 -1.02 0.00 0.00 57.50 56.85 2omv n TRP 2 Cb 0.79 -2.49 -0.16 0.00 -2.42 0.00 0.00 31.31 27.03 2omv n TRP 2 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2omv s VAL 3 N -1.16 0.72 -0.05 -0.99 1.01 0.41 -4.91 120.40 115.43 2omv s VAL 3 Ca 0.57 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2omv s VAL 3 Cb -0.47 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 34.77 2omv s VAL 3 CO 0.61 -0.19 0.10 -0.63 0.00 0.00 0.00 175.10 174.99 2omv s ILE 4 N 1.77 -0.13 0.51 2.22 1.01 -1.26 -2.27 121.20 123.04 2omv s ILE 4 Ca -0.02 0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.81 2omv s ILE 4 Cb -0.17 -0.19 -0.07 0.00 0.01 0.00 0.00 42.46 42.03 2omv s ILE 4 CO -0.08 0.13 0.95 -2.84 0.00 0.00 0.00 174.94 173.11 2omv s PRO 5 N 1.81 3.86 0.48 2.79 0.02 -1.26 -5.04 135.00 137.66 2omv s PRO 5 Ca -0.01 0.82 -0.23 0.00 0.02 0.00 0.00 61.00 61.60 2omv s PRO 5 Cb -0.12 -2.18 -0.07 0.00 0.02 0.00 0.00 34.50 32.15 2omv s PRO 5 CO -0.04 -0.27 1.33 -1.25 -0.33 0.00 0.00 177.00 176.44 2omv s PRO 6 N -4.20 3.52 -0.20 5.54 0.04 -1.26 -5.00 135.00 133.46 2omv s PRO 6 Ca 0.57 2.17 -0.02 0.00 0.04 0.00 0.00 61.00 63.76 2omv s PRO 6 Cb -0.10 -2.46 -0.00 0.00 0.04 0.00 0.00 34.50 31.97 2omv s PRO 6 CO 0.35 -0.86 -0.09 0.42 0.04 0.00 0.00 177.00 176.85 2omv s ILE 7 N -1.32 3.01 0.07 0.56 1.01 -1.26 -5.00 121.20 118.27 2omv s ILE 7 Ca 0.65 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.71 2omv s ILE 7 Cb -0.38 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 2omv s ILE 7 CO 0.47 0.47 -0.09 -0.55 0.00 0.00 0.00 174.94 175.24 2omv s SER 8 N 1.26 1.23 -0.07 3.58 0.15 -1.26 -2.30 113.70 116.29 2omv s SER 8 Ca 0.03 -0.72 -0.03 0.00 0.70 0.00 0.00 55.95 55.93 2omv s SER 8 Cb -0.14 0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.23 2omv s SER 8 CO -0.04 -0.25 0.15 0.00 1.20 0.00 0.00 173.24 174.30 2omv s PRO 10 N 1.67 3.20 0.74 0.00 0.02 -1.26 -1.20 135.00 138.16 2omv s PRO 10 Ca -0.04 1.71 -0.11 0.00 0.02 0.00 0.00 61.00 62.58 2omv s PRO 10 Cb -0.12 -1.98 0.03 0.00 0.02 0.00 0.00 34.50 32.45 2omv s PRO 10 CO -0.06 -1.00 1.08 -1.83 -0.33 0.00 0.00 177.00 174.86 2omv s GLU 11 N -3.29 2.60 -1.46 5.54 -1.05 -0.77 -4.08 118.70 116.18 2omv s GLU 11 Ca 0.75 0.79 -0.03 0.00 -0.15 0.00 0.00 54.97 56.33 2omv s GLU 11 Cb -0.27 -1.96 0.01 0.00 -0.44 0.00 0.00 34.13 31.47 2omv s GLU 11 CO 0.30 -1.30 0.31 0.09 0.95 0.00 0.00 175.26 175.61 2omv n ASN 12 N -3.24 -5.19 -4.74 0.83 5.03 -0.59 -4.90 115.26 102.47 2omv n ASN 12 Ca 0.07 -0.14 -0.37 0.00 0.87 0.00 0.00 54.58 55.02 2omv n ASN 12 Cb 0.55 -4.28 0.05 0.00 -1.02 0.00 0.00 39.78 35.09 2omv n ASN 12 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2omv s GLU 13 N -5.45 2.73 0.31 3.52 0.41 -1.26 -5.00 118.70 113.97 2omv s GLU 13 Ca 0.18 1.97 0.02 0.00 -0.41 0.00 0.00 54.97 56.73 2omv s GLU 13 Cb -0.09 -1.88 -0.03 0.00 -1.78 0.00 0.00 34.13 30.35 2omv s GLU 13 CO 0.22 -1.43 0.48 -1.59 -0.49 0.00 0.00 175.26 172.46 2omv s LYS 14 N -3.35 3.42 0.30 1.61 -2.85 -1.26 -4.65 119.74 112.96 2omv s LYS 14 Ca 0.80 -0.54 -0.05 0.00 -1.00 0.00 0.00 55.97 55.19 2omv s LYS 14 Cb -0.35 -2.75 0.07 0.00 -2.06 0.00 0.00 37.83 32.75 2omv s LYS 14 CO 0.37 0.22 0.24 0.41 0.10 0.00 0.00 175.35 176.69 2omv n GLY 15 N -1.66 -2.78 3.78 0.59 0.00 -1.26 -4.82 105.19 99.04 2omv n GLY 15 Ca -0.06 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 2omv n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2omv s PRO 16 N -3.56 4.47 0.15 1.61 0.04 -1.26 -5.14 135.00 131.32 2omv s PRO 16 Ca 0.16 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 62.62 2omv s PRO 16 Cb -0.02 -2.78 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 2omv s PRO 16 CO 0.13 0.15 0.35 -0.06 0.04 0.00 0.00 177.00 177.61 2omv s PHE 17 N -1.57 3.49 0.48 0.56 0.08 -1.26 -4.16 117.98 115.60 2omv s PHE 17 Ca 0.52 0.39 -0.20 0.00 0.12 0.00 0.00 56.93 57.75 2omv s PHE 17 Cb -0.21 -1.88 -0.09 0.00 -0.57 0.00 0.00 43.02 40.27 2omv s PHE 17 CO 0.27 0.44 1.03 -1.25 -0.10 0.00 0.00 175.22 175.61 2omv s PRO 18 N -2.95 3.85 -0.20 0.24 0.04 -1.26 -5.09 135.00 129.63 2omv s PRO 18 Ca 0.39 1.33 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 2omv s PRO 18 Cb -0.12 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2omv s PRO 18 CO 0.27 -0.38 0.07 0.15 0.04 0.00 0.00 177.00 177.15 2omv s LYS 19 N -3.24 3.92 0.22 4.56 1.02 0.07 -4.91 119.74 121.38 2omv s LYS 19 Ca 0.67 -0.36 -0.31 0.00 0.02 0.00 0.00 55.97 55.98 2omv s LYS 19 Cb -0.15 -3.26 -0.12 0.00 -0.52 0.00 0.00 37.83 33.78 2omv s LYS 19 CO 0.19 0.17 1.67 -0.80 -0.92 0.00 0.00 175.35 175.66 2omv s ASN 20 N 0.66 6.41 -0.01 2.83 0.01 -1.26 -1.07 114.94 122.50 2omv s ASN 20 Ca 0.04 2.85 -0.01 0.00 -0.71 0.00 0.00 52.86 55.02 2omv s ASN 20 Cb -0.13 -2.61 -0.00 0.00 0.41 0.00 0.00 41.25 38.92 2omv s ASN 20 CO 0.02 -0.94 -0.02 0.18 -1.51 0.00 0.00 177.10 174.83 2omv n LEU 21 N 3.60 0.14 -3.94 0.60 4.77 0.91 -4.90 117.00 118.18 2omv n LEU 21 Ca 0.14 0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2omv n LEU 21 Cb 0.36 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 2omv n LEU 21 CO 0.63 -0.49 -0.19 0.68 -1.33 0.00 0.00 177.39 176.70 2omv s VAL 22 N -1.13 0.17 -0.27 4.08 -7.23 -1.21 -5.02 120.40 109.78 2omv s VAL 22 Ca -0.02 -1.36 -0.10 0.00 -1.81 0.00 0.00 61.98 58.69 2omv s VAL 22 Cb 0.00 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 2omv s VAL 22 CO 0.03 -0.75 0.15 -1.58 -0.31 0.00 0.00 175.10 172.64 2omv s GLN 23 N -3.71 3.86 0.08 4.82 0.74 -1.26 -0.75 119.66 123.45 2omv s GLN 23 Ca 0.04 -0.37 -0.01 0.00 0.05 0.00 0.00 55.36 55.08 2omv s GLN 23 Cb 0.05 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 2omv s GLN 23 CO -0.10 -0.17 0.25 0.96 -0.55 0.00 0.00 175.29 175.68 2omv s ILE 24 N 1.66 5.35 -0.00 -2.34 -4.36 0.12 -4.68 121.20 116.94 2omv s ILE 24 Ca 0.07 -0.34 -0.13 0.00 -0.26 0.00 0.00 60.65 60.00 2omv s ILE 24 Cb -0.16 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 39.93 2omv s ILE 24 CO 0.08 0.10 0.26 -0.54 0.24 0.00 0.00 174.94 175.08 2omv s LYS 25 N -2.59 0.62 -0.10 0.37 1.02 -0.96 -4.35 119.74 113.75 2omv s LYS 25 Ca 0.36 -0.28 0.04 0.00 0.02 0.00 0.00 55.97 56.11 2omv s LYS 25 Cb -0.13 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 2omv s LYS 25 CO 0.27 -0.17 -0.23 0.45 -0.92 0.00 0.00 175.35 174.75 2omv s SER 26 N -1.41 3.04 0.00 2.83 0.15 -1.26 -0.45 113.70 116.61 2omv s SER 26 Ca -0.13 -0.56 0.16 0.00 0.70 0.00 0.00 55.95 56.12 2omv s SER 26 Cb -0.06 -1.39 0.96 0.00 -1.71 0.00 0.00 66.02 63.83 2omv s SER 26 CO 0.03 0.14 1.39 0.59 1.20 0.00 0.00 173.24 176.59 2omv n ASN 27 N 3.61 0.00 0.19 5.45 5.03 -0.01 -1.65 115.26 127.87 2omv n ASN 27 Ca -0.19 -0.48 0.13 0.00 0.87 0.00 0.00 54.58 54.92 2omv n ASN 27 Cb 0.53 -0.02 0.64 0.00 -1.02 0.00 0.00 39.78 39.91 2omv n ASN 27 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2omv h LYS 28 N 0.00 0.00 0.00 3.52 1.79 -1.93 -3.03 116.57 116.92 2omv h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2omv h LYS 28 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2omv h LYS 28 CO 0.00 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 177.97 2omv n ASP 29 N -2.44 0.00 0.21 0.86 5.68 -0.66 -1.75 116.55 118.45 2omv n ASP 29 Ca -0.00 0.34 0.14 0.00 -0.50 0.00 0.00 54.79 54.77 2omv n ASP 29 Cb 0.14 -0.41 0.48 0.00 -1.14 0.00 0.00 41.12 40.19 2omv n ASP 29 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2omv h LYS 30 N 0.00 0.00 -0.00 0.11 1.79 -1.80 -3.31 116.57 113.36 2omv h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2omv h LYS 30 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2omv h LYS 30 CO 0.00 0.00 -0.30 0.39 -1.08 0.00 0.00 179.45 178.46 2omv n GLU 31 N -2.83 2.72 0.00 3.15 -0.58 -0.71 -5.07 120.64 117.32 2omv n GLU 31 Ca 0.02 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.38 2omv n GLU 31 Cb 0.37 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 2omv n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2omv n GLY 32 N 1.02 1.10 3.73 0.62 0.00 -1.20 -5.13 105.19 105.33 2omv n GLY 32 Ca 0.03 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2omv n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2omv n LYS 33 N -0.26 2.63 -4.93 1.61 4.76 -1.26 -4.11 118.16 116.61 2omv n LYS 33 Ca 0.00 0.94 -0.33 0.00 -2.87 0.00 0.00 58.31 56.05 2omv n LYS 33 Cb 0.00 -2.72 -0.13 0.00 -1.84 0.00 0.00 35.03 30.34 2omv n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2omv s VAL 34 N 0.21 2.97 -0.09 -0.18 1.01 -1.26 -4.09 120.40 118.96 2omv s VAL 34 Ca 0.67 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2omv s VAL 34 Cb -0.52 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 2omv s VAL 34 CO 0.46 0.59 -0.24 -0.36 0.00 0.00 0.00 175.10 175.54 2omv s PHE 35 N -0.69 2.54 0.00 5.22 0.08 -0.11 -4.74 117.98 120.29 2omv s PHE 35 Ca 0.11 -0.99 0.01 0.00 0.12 0.00 0.00 56.93 56.17 2omv s PHE 35 Cb -0.11 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2omv s PHE 35 CO 0.01 -0.38 0.04 0.71 -0.10 0.00 0.00 175.22 175.49 2omv s TYR 36 N 0.25 3.17 0.10 0.36 2.02 0.21 -1.51 117.35 121.96 2omv s TYR 36 Ca -0.16 0.14 -0.08 0.00 -0.37 0.00 0.00 57.07 56.59 2omv s TYR 36 Cb -0.17 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.69 2omv s TYR 36 CO 0.08 0.51 0.19 -1.54 -1.57 0.00 0.00 175.55 173.22 2omv s SER 37 N -1.68 0.13 0.02 2.29 1.04 -0.62 -4.18 113.70 110.71 2omv s SER 37 Ca 0.21 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 55.97 2omv s SER 37 Cb -0.12 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 2omv s SER 37 CO 0.12 -0.75 -0.12 0.27 0.98 0.00 0.00 173.24 173.75 2omv s ILE 38 N -3.88 0.92 0.26 -1.02 -4.36 -1.26 -0.14 121.20 111.72 2omv s ILE 38 Ca 0.07 -0.81 0.04 0.00 -0.26 0.00 0.00 60.65 59.70 2omv s ILE 38 Cb 0.05 -0.83 -0.06 0.00 1.25 0.00 0.00 42.46 42.87 2omv s ILE 38 CO -0.09 0.03 -0.00 0.42 0.24 0.00 0.00 174.94 175.54 2omv s THR 39 N -0.70 1.18 0.00 8.37 -4.23 -0.32 -4.49 115.64 115.45 2omv s THR 39 Ca 0.01 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2omv s THR 39 Cb -0.07 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2omv s THR 39 CO 0.01 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2omv n GLY 40 N -0.50 2.70 3.63 3.99 0.00 -1.26 -1.34 105.19 112.40 2omv n GLY 40 Ca -0.04 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 2omv n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2omv s GLN 41 N -2.05 3.78 0.00 1.61 2.00 -1.25 -0.90 119.66 122.85 2omv s GLN 41 Ca 0.00 1.64 0.00 0.00 -2.00 0.00 0.00 55.36 55.00 2omv s GLN 41 Cb 0.00 -4.04 0.00 0.00 0.80 0.00 0.00 33.01 29.77 2omv s GLN 41 CO 0.00 -1.31 0.00 0.41 -0.50 0.00 0.00 175.29 173.89 2omv n GLY 42 N 4.68 1.04 0.00 2.59 0.00 -0.31 -4.50 105.19 108.70 2omv n GLY 42 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2omv n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2omv n ALA 43 N -1.01 1.06 0.98 4.61 0.00 -0.08 -1.15 120.51 124.93 2omv n ALA 43 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2omv n ALA 43 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2omv n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2omv n ASP 44 N -0.35 0.95 -4.45 0.00 5.75 -0.80 -0.37 116.55 117.27 2omv n ASP 44 Ca 0.00 -0.93 -0.25 0.00 -0.01 0.00 0.00 54.79 53.59 2omv n ASP 44 Cb 0.00 0.96 -0.11 0.00 -1.03 0.00 0.00 41.12 40.95 2omv n ASP 44 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2omv s THR 45 N -3.01 2.44 0.11 2.12 -4.23 -1.03 -4.91 115.64 107.13 2omv s THR 45 Ca 0.08 -2.26 -0.35 0.00 -1.18 0.00 0.00 61.69 57.98 2omv s THR 45 Cb 0.16 -2.23 -0.17 0.00 1.34 0.00 0.00 72.50 71.60 2omv s THR 45 CO 0.86 -0.29 1.17 -2.65 -0.54 0.00 0.00 174.62 173.17 2omv n PRO 46 N -0.27 0.85 -2.44 3.99 -0.02 -1.26 -1.16 135.00 134.69 2omv n PRO 46 Ca -0.08 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.27 2omv n PRO 46 Cb 0.58 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.22 2omv n PRO 46 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2omv s PRO 47 N -0.03 3.82 0.26 0.52 0.04 -1.26 -3.79 135.00 134.56 2omv s PRO 47 Ca 0.80 1.08 -0.31 0.00 0.04 0.00 0.00 61.00 62.61 2omv s PRO 47 Cb -0.98 -3.91 -0.12 0.00 0.04 0.00 0.00 34.50 29.53 2omv s PRO 47 CO 0.51 -1.24 1.64 0.28 0.04 0.00 0.00 177.00 178.23 2omv n VAL 48 N 6.47 0.60 -2.12 -0.36 0.31 -1.20 -3.08 118.33 118.95 2omv n VAL 48 Ca 0.15 -0.15 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 2omv n VAL 48 Cb 0.47 -1.95 -0.03 0.00 -0.91 0.00 0.00 33.84 31.42 2omv n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2omv n GLY 49 N 2.90 0.25 0.21 2.92 0.00 0.50 -4.87 105.19 107.10 2omv n GLY 49 Ca 0.12 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2omv n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2omv h VAL 50 N 0.00 1.24 -3.69 1.61 2.07 -1.20 -3.42 116.25 112.86 2omv h VAL 50 Ca -0.43 -0.89 -0.68 0.00 0.82 0.00 0.00 66.70 65.52 2omv h VAL 50 Cb 1.31 1.02 -0.19 0.00 -1.52 0.00 0.00 31.29 31.91 2omv h VAL 50 CO 0.54 0.31 -0.71 -0.36 0.02 0.00 0.00 177.57 177.37 2omv s PHE 51 N -5.17 2.87 0.10 1.57 0.08 -0.30 -0.29 117.98 116.85 2omv s PHE 51 Ca -0.13 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 56.89 2omv s PHE 51 Cb 0.10 -1.65 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 2omv s PHE 51 CO 0.78 0.33 -0.02 0.96 -0.10 0.00 0.00 175.22 177.17 2omv s ILE 52 N -0.89 0.43 -0.01 0.64 -4.36 -0.49 -4.46 121.20 112.07 2omv s ILE 52 Ca 0.14 -1.90 0.03 0.00 -0.26 0.00 0.00 60.65 58.67 2omv s ILE 52 Cb -0.11 -1.75 -0.01 0.00 1.25 0.00 0.00 42.46 41.84 2omv s ILE 52 CO 0.04 -0.79 -0.10 -0.51 0.24 0.00 0.00 174.94 173.82 2omv s ILE 53 N -3.80 0.82 -0.29 8.37 2.07 -1.26 -0.59 121.20 126.52 2omv s ILE 53 Ca 0.14 -0.43 -0.29 0.00 -1.41 0.00 0.00 60.65 58.66 2omv s ILE 53 Cb 0.07 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 41.98 2omv s ILE 53 CO -0.04 0.23 1.04 -0.70 -1.91 0.00 0.00 174.94 173.57 2omv s GLU 54 N -0.17 4.13 0.50 3.50 2.12 -0.11 -4.92 118.70 123.76 2omv s GLU 54 Ca 0.03 1.15 0.18 0.00 0.36 0.00 0.00 54.97 56.69 2omv s GLU 54 Cb -0.05 -3.70 1.25 0.00 0.26 0.00 0.00 34.13 31.89 2omv s GLU 54 CO -0.00 -0.79 2.09 0.07 -0.54 0.00 0.00 175.26 176.10 2omv h ARG 55 N 7.85 0.00 0.12 4.30 0.11 -1.91 0.19 114.38 125.04 2omv h ARG 55 Ca -0.20 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.59 2omv h ARG 55 Cb 1.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 2omv h ARG 55 CO 1.00 0.08 -1.51 0.93 0.10 0.00 0.00 179.97 180.57 2omv h GLU 56 N 0.00 0.24 0.00 0.08 3.07 -1.87 0.61 114.58 116.72 2omv h GLU 56 Ca -0.00 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 2omv h GLU 56 Cb 0.15 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2omv h GLU 56 CO 0.01 1.20 -1.27 0.25 -1.40 0.00 0.00 179.01 177.81 2omv n THR 57 N -3.87 0.36 -1.02 1.13 -2.24 -1.15 -4.92 114.28 102.57 2omv n THR 57 Ca -0.26 -0.47 -0.01 0.00 -2.27 0.00 0.00 64.05 61.04 2omv n THR 57 Cb 0.92 -0.14 -0.00 0.00 -2.10 0.00 0.00 70.33 69.01 2omv n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2omv n GLY 58 N 1.24 0.39 3.61 3.38 0.00 0.64 -4.69 105.19 109.76 2omv n GLY 58 Ca -0.01 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2omv n GLY 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2omv s TRP 59 N -1.72 1.85 -0.04 1.61 0.52 -1.25 -0.70 118.94 119.21 2omv s TRP 59 Ca 0.00 0.57 -0.23 0.00 0.02 0.00 0.00 56.10 56.46 2omv s TRP 59 Cb 0.00 -4.10 -0.04 0.00 -1.15 0.00 0.00 33.47 28.18 2omv s TRP 59 CO 0.00 -3.04 0.69 -1.17 0.02 0.00 0.00 176.95 173.44 2omv s LEU 60 N 6.46 4.35 0.05 2.99 2.96 0.08 -0.93 118.68 134.64 2omv s LEU 60 Ca 0.79 1.22 0.03 0.00 -0.22 0.00 0.00 54.13 55.95 2omv s LEU 60 Cb -0.24 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 2omv s LEU 60 CO 0.33 -0.06 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.66 2omv s LYS 61 N 0.50 0.65 -0.12 1.98 1.02 0.24 -0.06 119.74 123.95 2omv s LYS 61 Ca 0.36 -0.84 -0.04 0.00 0.02 0.00 0.00 55.97 55.47 2omv s LYS 61 Cb -0.18 -0.51 -0.04 0.00 -0.52 0.00 0.00 37.83 36.58 2omv s LYS 61 CO 0.19 0.10 0.04 0.54 -0.92 0.00 0.00 175.35 175.30 2omv s VAL 62 N -1.34 4.64 -1.90 3.17 0.11 -0.24 -1.39 120.40 123.45 2omv s VAL 62 Ca -0.07 -0.11 0.22 0.00 -2.93 0.00 0.00 61.98 59.09 2omv s VAL 62 Cb -0.10 -3.01 -0.02 0.00 -1.53 0.00 0.00 36.38 31.72 2omv s VAL 62 CO 0.01 0.56 1.04 0.35 -3.33 0.00 0.00 175.10 173.73 2omv n THR 63 N 2.59 0.00 -3.48 5.04 -2.24 0.60 -0.75 114.28 116.05 2omv n THR 63 Ca -0.18 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.23 2omv n THR 63 Cb 0.53 1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.98 2omv n THR 63 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2omv s GLU 64 N -2.43 1.33 0.58 -0.78 -1.05 -1.26 -4.72 118.70 110.37 2omv s GLU 64 Ca 0.17 -0.53 -0.21 0.00 -0.15 0.00 0.00 54.97 54.25 2omv s GLU 64 Cb 0.17 0.59 -0.04 0.00 -0.44 0.00 0.00 34.13 34.41 2omv s GLU 64 CO 0.57 -0.59 1.35 -2.14 0.95 0.00 0.00 175.26 175.40 2omv s PRO 65 N -3.76 2.96 0.29 -4.83 0.02 -1.26 -4.97 135.00 123.45 2omv s PRO 65 Ca 0.02 2.22 0.07 0.00 0.02 0.00 0.00 61.00 63.33 2omv s PRO 65 Cb -0.02 -2.15 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 2omv s PRO 65 CO -0.10 -1.33 0.27 -0.51 -0.33 0.00 0.00 177.00 175.00 2omv s LEU 66 N -3.76 3.77 -0.18 -5.54 1.43 -1.26 -4.91 118.68 108.22 2omv s LEU 66 Ca 0.75 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.47 2omv s LEU 66 Cb -0.40 -2.35 0.07 0.00 0.03 0.00 0.00 46.19 43.53 2omv s LEU 66 CO 0.46 -0.21 0.13 -0.62 0.23 0.00 0.00 176.35 176.34 2omv s ASP 67 N -3.94 2.15 0.34 2.29 -1.08 -1.26 -1.54 116.67 113.62 2omv s ASP 67 Ca 0.37 -0.54 0.02 0.00 -0.52 0.00 0.00 52.55 51.88 2omv s ASP 67 Cb -0.07 -0.08 0.59 0.00 -1.46 0.00 0.00 42.92 41.90 2omv s ASP 67 CO 0.26 -0.35 1.97 -0.09 0.52 0.00 0.00 175.17 177.48 2omv h ARG 68 N 8.39 0.81 -0.24 4.34 2.43 -1.89 -1.73 114.38 126.49 2omv h ARG 68 Ca -0.16 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 58.84 2omv h ARG 68 Cb 1.14 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2omv h ARG 68 CO 0.29 0.59 -0.27 0.93 -1.51 0.00 0.00 179.97 180.01 2omv h GLU 69 N 0.82 0.45 0.15 0.20 3.07 -1.97 -2.75 114.58 114.55 2omv h GLU 69 Ca 0.21 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 2omv h GLU 69 Cb 0.01 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2omv h GLU 69 CO -0.04 0.68 -0.07 0.00 -1.40 0.00 0.00 179.01 178.19 2omv h ARG 70 N 0.40 -0.19 -3.25 2.33 3.08 -1.88 -3.44 114.38 111.42 2omv h ARG 70 Ca 0.06 0.01 -0.44 0.00 0.07 0.00 0.00 59.98 59.68 2omv h ARG 70 Cb 0.68 0.04 -0.40 0.00 0.08 0.00 0.00 29.97 30.37 2omv h ARG 70 CO 0.05 0.20 -0.75 0.42 -1.07 0.00 0.00 179.97 178.82 2omv s ILE 71 N -2.91 0.03 -0.45 2.04 1.01 -0.69 -5.04 121.20 115.18 2omv s ILE 71 Ca -0.10 -0.02 0.23 0.00 0.00 0.00 0.00 60.65 60.76 2omv s ILE 71 Cb -0.00 -0.51 0.04 0.00 0.01 0.00 0.00 42.46 42.00 2omv s ILE 71 CO 0.38 -0.09 1.20 0.00 0.00 0.00 0.00 174.94 176.44 2omv h ALA 72 N 8.39 0.56 -2.63 9.38 0.00 -1.72 -3.36 119.26 129.88 2omv h ALA 72 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2omv h ALA 72 Cb 1.13 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.68 2omv h ALA 72 CO 0.25 0.00 -0.23 0.99 0.00 0.00 0.00 179.25 180.26 2omv s THR 73 N -3.26 -0.01 -0.02 0.00 2.01 -1.26 -1.12 115.64 111.98 2omv s THR 73 Ca 0.03 0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.14 2omv s THR 73 Cb 0.11 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 2omv s THR 73 CO 0.75 0.02 -0.23 -0.31 -0.69 0.00 0.00 174.62 174.16 2omv s TYR 74 N 0.77 2.06 -0.26 4.92 1.51 -0.16 -4.98 117.35 121.21 2omv s TYR 74 Ca -0.04 -0.44 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 2omv s TYR 74 Cb -0.05 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2omv s TYR 74 CO -0.06 -0.07 0.00 0.99 -1.11 0.00 0.00 175.55 175.31 2omv s THR 75 N -0.44 3.47 0.44 -0.71 2.01 -1.26 -0.23 115.64 118.93 2omv s THR 75 Ca 0.06 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.40 2omv s THR 75 Cb -0.10 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 2omv s THR 75 CO -0.00 0.23 0.05 -0.76 -0.69 0.00 0.00 174.62 173.45 2omv s LEU 76 N 1.45 2.74 -0.04 4.42 1.43 0.48 -3.78 118.68 125.37 2omv s LEU 76 Ca 0.03 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 2omv s LEU 76 Cb -0.16 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.14 2omv s LEU 76 CO -0.01 -0.60 -0.02 -0.36 0.23 0.00 0.00 176.35 175.58 2omv s PHE 77 N -2.75 0.60 0.10 0.29 0.40 -0.45 0.38 117.98 116.56 2omv s PHE 77 Ca 0.27 -0.14 -0.11 0.00 -0.60 0.00 0.00 56.93 56.36 2omv s PHE 77 Cb 0.06 -0.61 -0.06 0.00 0.51 0.00 0.00 43.02 42.92 2omv s PHE 77 CO 0.14 -0.19 0.45 -1.54 0.70 0.00 0.00 175.22 174.78 2omv s SER 78 N 1.13 6.69 0.03 1.36 1.04 -0.48 -1.18 113.70 122.28 2omv s SER 78 Ca -0.08 0.87 0.04 0.00 0.48 0.00 0.00 55.95 57.26 2omv s SER 78 Cb -0.14 -2.21 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 2omv s SER 78 CO -0.01 0.14 -0.12 -1.00 0.98 0.00 0.00 173.24 173.23 2omv s HIS 79 N -1.43 1.09 -0.09 5.02 3.76 0.80 -1.61 115.29 122.83 2omv s HIS 79 Ca 0.35 -0.32 -0.02 0.00 -0.15 0.00 0.00 55.06 54.92 2omv s HIS 79 Cb -0.14 -0.66 0.03 0.00 1.11 0.00 0.00 32.58 32.93 2omv s HIS 79 CO 0.19 0.01 0.01 0.00 -0.85 0.00 0.00 174.74 174.10 2omv s ALA 80 N -0.75 0.71 0.22 -1.40 0.00 -1.26 -1.58 121.76 117.70 2omv s ALA 80 Ca 0.01 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 51.86 2omv s ALA 80 Cb -0.07 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 2omv s ALA 80 CO 0.01 -0.58 -0.15 0.14 0.00 0.00 0.00 175.76 175.18 2omv s VAL 81 N 1.97 1.86 0.88 0.00 -7.23 -0.57 -0.30 120.40 117.02 2omv s VAL 81 Ca 0.04 -2.24 -0.12 0.00 -1.81 0.00 0.00 61.98 57.85 2omv s VAL 81 Cb -0.13 -2.11 0.16 0.00 0.56 0.00 0.00 36.38 34.86 2omv s VAL 81 CO -0.06 -0.55 1.22 -0.94 -0.31 0.00 0.00 175.10 174.46 2omv s SER 82 N -3.36 3.64 0.31 4.85 1.04 0.15 -0.93 113.70 119.40 2omv s SER 82 Ca 0.24 0.19 0.23 0.00 0.48 0.00 0.00 55.95 57.10 2omv s SER 82 Cb -0.01 -0.40 1.14 0.00 0.10 0.00 0.00 66.02 66.85 2omv s SER 82 CO 0.08 -2.38 1.71 0.77 0.98 0.00 0.00 173.24 174.40 2omv h SER 83 N -1.27 0.00 -0.42 7.02 4.64 -1.91 -2.38 113.55 119.23 2omv h SER 83 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2omv h SER 83 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2omv h SER 83 CO 0.43 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.98 2omv n ASN 84 N -2.30 3.32 0.00 4.97 3.02 -1.26 -4.97 115.26 118.04 2omv n ASN 84 Ca -0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 2omv n ASN 84 Cb 0.12 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 2omv n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2omv n GLY 85 N 1.49 1.30 3.70 7.41 0.00 -0.90 -5.04 105.19 113.15 2omv n GLY 85 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2omv n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2omv s ASN 86 N -3.11 7.14 0.27 1.61 0.01 -1.26 -4.76 114.94 114.84 2omv s ASN 86 Ca 0.00 1.38 -0.30 0.00 -0.71 0.00 0.00 52.86 53.23 2omv s ASN 86 Cb 0.00 -2.49 -0.10 0.00 0.41 0.00 0.00 41.25 39.07 2omv s ASN 86 CO 0.00 -0.25 1.45 0.00 -1.51 0.00 0.00 177.10 176.80 2omv s ALA 87 N 1.22 3.63 -1.28 0.60 0.00 -1.26 -0.68 121.76 123.99 2omv s ALA 87 Ca 0.44 1.38 0.13 0.00 0.00 0.00 0.00 51.96 53.90 2omv s ALA 87 Cb -0.19 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.39 2omv s ALA 87 CO 0.21 -0.79 0.78 1.33 0.00 0.00 0.00 175.76 177.28 2omv n VAL 88 N 2.02 0.00 -3.95 0.00 0.24 0.59 -4.88 118.33 112.34 2omv n VAL 88 Ca 0.06 -0.41 -0.09 0.00 -2.04 0.00 0.00 64.34 61.86 2omv n VAL 88 Cb 0.40 1.18 -0.09 0.00 -1.47 0.00 0.00 33.84 33.86 2omv n VAL 88 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2omv s GLU 89 N -1.44 0.61 0.22 7.34 0.41 -1.22 -4.86 118.70 119.77 2omv s GLU 89 Ca 0.12 -0.87 -0.30 0.00 -0.41 0.00 0.00 54.97 53.51 2omv s GLU 89 Cb 0.10 0.24 -0.08 0.00 -1.78 0.00 0.00 34.13 32.60 2omv s GLU 89 CO 0.27 -0.15 1.06 -0.51 -0.49 0.00 0.00 175.26 175.44 2omv s ASP 90 N -2.36 7.37 0.23 -0.19 1.01 -1.26 -4.64 116.67 116.82 2omv s ASP 90 Ca -0.02 2.10 -0.31 0.00 0.71 0.00 0.00 52.55 55.03 2omv s ASP 90 Cb 0.01 -2.61 -0.14 0.00 1.01 0.00 0.00 42.92 41.19 2omv s ASP 90 CO -0.06 -0.10 1.24 -2.65 0.21 0.00 0.00 175.17 173.81 2omv n PRO 91 N 1.81 1.59 -3.80 8.23 -0.02 -1.26 -4.94 135.00 136.61 2omv n PRO 91 Ca 0.00 0.56 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 2omv n PRO 91 Cb 0.46 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 2omv n PRO 91 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2omv s MET 92 N -0.65 3.51 0.09 -0.52 1.75 -0.63 -4.92 119.30 117.94 2omv s MET 92 Ca 0.68 -0.56 -0.31 0.00 -1.25 0.00 0.00 55.69 54.25 2omv s MET 92 Cb -0.73 -3.24 -0.08 0.00 2.84 0.00 0.00 34.83 33.61 2omv s MET 92 CO 0.53 -0.22 1.51 -2.00 -0.65 0.00 0.00 175.02 174.19 2omv s GLU 93 N 1.56 4.25 -0.09 4.11 2.12 -1.26 -1.38 118.70 128.01 2omv s GLU 93 Ca 0.06 2.20 0.03 0.00 0.36 0.00 0.00 54.97 57.62 2omv s GLU 93 Cb -0.15 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.87 2omv s GLU 93 CO 0.02 -0.59 -0.17 0.42 -0.54 0.00 0.00 175.26 174.40 2omv s ILE 94 N 1.76 1.56 -0.10 -3.70 1.01 0.16 -4.96 121.20 116.93 2omv s ILE 94 Ca 0.68 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 60.46 2omv s ILE 94 Cb -0.38 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 2omv s ILE 94 CO 0.30 0.45 0.38 -0.22 0.00 0.00 0.00 174.94 175.86 2omv s LEU 95 N 0.60 4.32 -0.22 2.97 1.98 -1.26 -0.39 118.68 126.68 2omv s LEU 95 Ca -0.15 0.73 -0.02 0.00 -2.89 0.00 0.00 54.13 51.80 2omv s LEU 95 Cb -0.16 -2.53 0.01 0.00 0.66 0.00 0.00 46.19 44.16 2omv s LEU 95 CO 0.05 0.13 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.92 2omv s ILE 96 N 0.09 2.96 -0.19 6.68 1.01 0.68 -4.19 121.20 128.24 2omv s ILE 96 Ca 0.22 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 2omv s ILE 96 Cb -0.15 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 2omv s ILE 96 CO 0.08 0.41 0.15 -0.89 0.00 0.00 0.00 174.94 174.69 2omv s THR 97 N 1.41 5.40 -0.25 2.92 2.01 -0.97 -0.99 115.64 125.17 2omv s THR 97 Ca 0.05 0.23 -0.16 0.00 0.31 0.00 0.00 61.69 62.12 2omv s THR 97 Cb -0.14 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2omv s THR 97 CO -0.06 0.44 0.41 -0.69 -0.69 0.00 0.00 174.62 174.03 2omv s VAL 98 N 0.30 5.16 0.15 3.82 1.01 -0.27 -1.51 120.40 129.06 2omv s VAL 98 Ca 0.09 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.76 2omv s VAL 98 Cb -0.11 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2omv s VAL 98 CO -0.01 0.17 0.15 0.35 0.00 0.00 0.00 175.10 175.76 2omv n THR 99 N 4.87 0.00 0.06 3.92 -2.24 -0.34 -4.91 114.28 115.64 2omv n THR 99 Ca -0.08 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2omv n THR 99 Cb 0.51 -0.53 0.03 0.00 -2.10 0.00 0.00 70.33 68.23 2omv n THR 99 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97