#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k51 s HIS -6 N 0.00 3.23 -0.05 3.17 3.76 -1.26 -5.05 115.29 119.09 1k51 s HIS -6 Ca 0.00 -0.48 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 1k51 s HIS -6 Cb 0.00 -2.51 0.02 0.00 1.11 0.00 0.00 32.58 31.20 1k51 s HIS -6 CO 0.00 -0.50 -0.05 -1.58 -0.85 0.00 0.00 174.74 171.76 1k51 s HIS -5 N 1.68 0.89 -0.24 1.40 5.04 -1.26 -5.12 115.29 117.69 1k51 s HIS -5 Ca 0.05 -0.28 -0.12 0.00 -1.54 0.00 0.00 55.06 53.17 1k51 s HIS -5 Cb -0.18 -0.77 -0.05 0.00 0.04 0.00 0.00 32.58 31.62 1k51 s HIS -5 CO 0.10 -0.24 0.21 -1.58 -2.34 0.00 0.00 174.74 170.89 1k51 s HIS -4 N 1.03 3.32 -0.42 3.88 5.65 -1.26 -5.05 115.29 122.44 1k51 s HIS -4 Ca -0.09 0.29 -0.15 0.00 0.25 0.00 0.00 55.06 55.36 1k51 s HIS -4 Cb -0.14 -2.32 0.03 0.00 -1.18 0.00 0.00 32.58 28.96 1k51 s HIS -4 CO -0.00 0.04 0.33 -1.58 -0.65 0.00 0.00 174.74 172.87 1k51 s HIS -3 N 1.15 3.23 0.47 3.88 2.46 -1.26 -5.06 115.29 120.17 1k51 s HIS -3 Ca 0.10 -0.64 -0.24 0.00 0.47 0.00 0.00 55.06 54.75 1k51 s HIS -3 Cb -0.14 -2.73 -0.07 0.00 -0.13 0.00 0.00 32.58 29.51 1k51 s HIS -3 CO 0.05 -0.64 1.32 -1.58 -2.47 0.00 0.00 174.74 171.42 1k51 s HIS -2 N 1.71 2.58 0.03 3.88 5.04 -1.26 -5.06 115.29 122.22 1k51 s HIS -2 Ca 0.05 1.39 0.03 0.00 -1.54 0.00 0.00 55.06 55.00 1k51 s HIS -2 Cb -0.20 -3.70 -0.02 0.00 0.04 0.00 0.00 32.58 28.70 1k51 s HIS -2 CO 0.10 -2.41 -0.09 -1.01 -2.34 0.00 0.00 174.74 168.99 1k51 s HIS -1 N -1.32 0.78 0.37 3.88 3.76 -1.26 -5.13 115.29 116.37 1k51 s HIS -1 Ca 0.64 -0.37 -0.27 0.00 -0.15 0.00 0.00 55.06 54.91 1k51 s HIS -1 Cb -0.38 -0.47 -0.10 0.00 1.11 0.00 0.00 32.58 32.75 1k51 s HIS -1 CO 0.47 -0.03 1.32 0.00 -0.85 0.00 0.00 174.74 175.65 1k51 s ALA 0 N -0.97 3.39 -1.81 -1.40 0.00 -1.26 -2.99 121.76 116.72 1k51 s ALA 0 Ca -0.04 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1k51 s ALA 0 Cb -0.08 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1k51 s ALA 0 CO 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 175.76 175.00 1k51 n MET 1 N 0.44 -1.43 -2.32 0.00 0.00 -1.26 -4.97 117.12 107.59 1k51 n MET 1 Ca 0.02 1.04 -0.35 0.00 0.00 0.00 0.00 57.70 58.40 1k51 n MET 1 Cb 0.42 -5.48 -0.01 0.00 0.00 0.00 0.00 33.22 28.16 1k51 n MET 1 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1k51 s GLU 2 N -4.32 3.52 -0.23 3.17 -1.05 -1.16 -5.02 118.70 113.60 1k51 s GLU 2 Ca 0.00 1.59 -0.02 0.00 -0.15 0.00 0.00 54.97 56.39 1k51 s GLU 2 Cb 0.00 -2.10 0.07 0.00 -0.44 0.00 0.00 34.13 31.66 1k51 s GLU 2 CO 0.00 -0.71 0.03 -1.21 0.95 0.00 0.00 175.26 174.32 1k51 s GLU 3 N -3.16 0.85 -0.02 -4.83 8.01 -1.26 -4.32 118.70 113.96 1k51 s GLU 3 Ca 0.70 -0.69 0.05 0.00 0.01 0.00 0.00 54.97 55.04 1k51 s GLU 3 Cb -0.23 -2.17 -0.03 0.00 -4.31 0.00 0.00 34.13 27.39 1k51 s GLU 3 CO 0.27 -0.72 -0.16 0.08 0.01 0.00 0.00 175.26 174.74 1k51 s VAL 4 N 1.71 2.92 -0.19 2.63 1.01 0.11 -4.94 120.40 123.65 1k51 s VAL 4 Ca 0.01 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1k51 s VAL 4 Cb -0.17 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1k51 s VAL 4 CO -0.12 0.52 0.03 -0.89 0.00 0.00 0.00 175.10 174.64 1k51 s THR 5 N -0.77 4.34 -0.20 3.92 2.01 -1.26 -1.89 115.64 121.79 1k51 s THR 5 Ca 0.12 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 1k51 s THR 5 Cb -0.11 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 1k51 s THR 5 CO 0.02 0.44 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.69 1k51 s ILE 6 N 0.73 3.30 -0.34 1.82 -1.09 0.12 -4.99 121.20 120.74 1k51 s ILE 6 Ca 0.02 -0.53 -0.10 0.00 -2.23 0.00 0.00 60.65 57.81 1k51 s ILE 6 Cb -0.14 -2.48 0.01 0.00 -1.58 0.00 0.00 42.46 38.28 1k51 s ILE 6 CO 0.02 0.45 0.17 -0.75 -1.23 0.00 0.00 174.94 173.60 1k51 s LYS 7 N 1.22 3.11 -0.22 2.79 2.47 -1.26 -1.01 119.74 126.84 1k51 s LYS 7 Ca 0.03 -0.88 -0.10 0.00 -1.56 0.00 0.00 55.97 53.46 1k51 s LYS 7 Cb -0.14 -3.63 -0.05 0.00 -1.46 0.00 0.00 37.83 32.55 1k51 s LYS 7 CO -0.02 -0.54 0.13 0.00 0.16 0.00 0.00 175.35 175.08 1k51 s ALA 8 N 1.58 3.55 -0.31 3.13 0.00 0.24 -4.98 121.76 124.97 1k51 s ALA 8 Ca 0.03 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 1k51 s ALA 8 Cb -0.18 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.77 1k51 s ALA 8 CO 0.06 -0.08 0.08 -0.80 0.00 0.00 0.00 175.76 175.02 1k51 s ASN 9 N 0.84 5.13 -0.27 0.00 0.01 -1.26 -1.57 114.94 117.82 1k51 s ASN 9 Ca 0.07 -0.92 -0.12 0.00 -0.71 0.00 0.00 52.86 51.18 1k51 s ASN 9 Cb -0.13 -1.85 -0.05 0.00 0.41 0.00 0.00 41.25 39.63 1k51 s ASN 9 CO 0.02 -0.24 0.24 -0.76 -1.51 0.00 0.00 177.10 174.85 1k51 s LEU 10 N 1.44 4.04 -0.24 0.60 1.02 0.13 -4.97 118.68 120.69 1k51 s LEU 10 Ca 0.00 0.10 -0.04 0.00 0.02 0.00 0.00 54.13 54.21 1k51 s LEU 10 Cb -0.18 -2.21 -0.00 0.00 0.02 0.00 0.00 46.19 43.81 1k51 s LEU 10 CO 0.02 -0.07 -0.01 -0.63 0.02 0.00 0.00 176.35 175.67 1k51 s ILE 11 N 1.74 3.52 0.45 -0.59 1.01 -1.26 -1.22 121.20 124.84 1k51 s ILE 11 Ca 0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1k51 s ILE 11 Cb -0.16 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 1k51 s ILE 11 CO 0.10 0.34 0.68 -0.36 0.00 0.00 0.00 174.94 175.70 1k51 s PHE 12 N 1.48 3.34 0.39 3.97 0.08 -0.34 -4.99 117.98 121.91 1k51 s PHE 12 Ca 0.05 0.39 0.12 0.00 0.12 0.00 0.00 56.93 57.61 1k51 s PHE 12 Cb -0.15 -2.26 0.94 0.00 -0.57 0.00 0.00 43.02 40.98 1k51 s PHE 12 CO -0.02 -0.29 1.91 0.00 -0.10 0.00 0.00 175.22 176.72 1k51 h ALA 13 N 0.39 1.97 -0.07 5.36 0.00 -1.87 -1.44 119.26 123.60 1k51 h ALA 13 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1k51 h ALA 13 Cb 1.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1k51 h ALA 13 CO 0.59 -0.18 0.00 0.27 0.00 0.00 0.00 179.25 179.93 1k51 n ASN 14 N -4.51 0.49 0.00 0.00 2.04 -1.26 -4.89 115.26 107.13 1k51 n ASN 14 Ca 0.15 -1.74 0.00 0.00 -0.44 0.00 0.00 54.58 52.55 1k51 n ASN 14 Cb 0.48 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.68 1k51 n ASN 14 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1k51 n GLY 15 N 0.78 2.90 3.77 4.83 0.00 -0.54 -5.05 105.19 111.87 1k51 n GLY 15 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1k51 n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k51 s SER 16 N -1.26 4.73 0.17 1.61 1.04 -1.26 -4.77 113.70 113.96 1k51 s SER 16 Ca 0.00 1.86 -0.00 0.00 0.48 0.00 0.00 55.95 58.29 1k51 s SER 16 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1k51 s SER 16 CO 0.00 -1.88 0.06 0.42 0.98 0.00 0.00 173.24 172.82 1k51 s THR 17 N -2.76 0.28 -0.11 2.02 -4.23 -1.26 -1.20 115.64 108.38 1k51 s THR 17 Ca 0.62 -1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 59.07 1k51 s THR 17 Cb -0.18 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.49 1k51 s THR 17 CO 0.52 -0.34 0.32 -1.58 -0.54 0.00 0.00 174.62 172.99 1k51 s GLN 18 N -4.03 0.41 0.13 3.99 0.74 -0.36 -5.00 119.66 115.54 1k51 s GLN 18 Ca 0.28 0.36 0.09 0.00 0.05 0.00 0.00 55.36 56.14 1k51 s GLN 18 Cb 0.07 0.20 -0.04 0.00 1.10 0.00 0.00 33.01 34.34 1k51 s GLN 18 CO 0.05 -0.06 -0.21 0.95 -0.55 0.00 0.00 175.29 175.47 1k51 s THR 19 N -0.03 1.85 0.07 -0.34 -4.23 -1.26 0.18 115.64 111.89 1k51 s THR 19 Ca -0.02 -1.69 -0.14 0.00 -1.18 0.00 0.00 61.69 58.67 1k51 s THR 19 Cb -0.03 -1.72 0.02 0.00 1.34 0.00 0.00 72.50 72.12 1k51 s THR 19 CO 0.01 -0.10 0.32 0.00 -0.54 0.00 0.00 174.62 174.31 1k51 s ALA 20 N -1.38 -0.70 -0.02 3.99 0.00 -0.61 -5.00 121.76 118.05 1k51 s ALA 20 Ca 0.10 -0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.05 1k51 s ALA 20 Cb -0.09 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 1k51 s ALA 20 CO 0.05 -0.50 -0.24 -2.00 0.00 0.00 0.00 175.76 173.08 1k51 s GLU 21 N -3.12 1.93 0.02 0.00 2.12 -1.26 -0.59 118.70 117.80 1k51 s GLU 21 Ca -0.01 -0.86 0.03 0.00 0.36 0.00 0.00 54.97 54.49 1k51 s GLU 21 Cb 0.01 -1.87 -0.02 0.00 0.26 0.00 0.00 34.13 32.51 1k51 s GLU 21 CO -0.07 0.51 -0.10 -0.06 -0.54 0.00 0.00 175.26 175.01 1k51 s PHE 22 N -0.57 0.85 0.05 5.30 0.08 -0.18 -5.00 117.98 118.51 1k51 s PHE 22 Ca 0.09 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 56.85 1k51 s PHE 22 Cb -0.09 -0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 41.81 1k51 s PHE 22 CO -0.01 -0.01 -0.06 0.15 -0.10 0.00 0.00 175.22 175.19 1k51 s LYS 23 N -0.88 0.54 0.00 0.44 3.01 -1.26 0.11 119.74 121.70 1k51 s LYS 23 Ca -0.01 -0.88 0.00 0.00 -1.01 0.00 0.00 55.97 54.07 1k51 s LYS 23 Cb -0.06 -0.14 0.00 0.00 -1.01 0.00 0.00 37.83 36.62 1k51 s LYS 23 CO 0.00 -0.00 0.00 0.41 0.51 0.00 0.00 175.35 176.27 1k51 n GLY 24 N 1.08 0.77 3.78 -3.33 0.00 -0.79 -4.63 105.19 102.07 1k51 n GLY 24 Ca -0.20 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 1k51 n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k51 s THR 25 N -3.78 3.50 0.20 2.61 -4.23 -1.26 0.06 115.64 112.74 1k51 s THR 25 Ca 0.00 0.52 -0.10 0.00 -1.18 0.00 0.00 61.69 60.93 1k51 s THR 25 Cb 0.00 -3.07 0.13 0.00 1.34 0.00 0.00 72.50 70.90 1k51 s THR 25 CO 0.00 -0.60 1.81 0.15 -0.54 0.00 0.00 174.62 175.43 1k51 h PHE 26 N -0.82 0.65 -0.03 3.99 3.57 -1.89 0.29 116.94 122.70 1k51 h PHE 26 Ca -0.44 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.10 1k51 h PHE 26 Cb 1.23 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1k51 h PHE 26 CO 0.58 0.32 -0.05 0.93 -2.23 0.00 0.00 178.31 177.87 1k51 h GLU 27 N 0.66 -0.07 -0.20 1.11 3.07 -1.99 -1.04 114.58 116.12 1k51 h GLU 27 Ca 0.28 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.08 1k51 h GLU 27 Cb 0.15 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1k51 h GLU 27 CO -0.17 -0.05 -0.12 -0.22 -1.40 0.00 0.00 179.01 177.06 1k51 h LYS 28 N -0.07 0.43 -0.30 2.33 3.64 -1.87 -2.23 116.57 118.49 1k51 h LYS 28 Ca 0.03 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1k51 h LYS 28 Cb 0.11 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1k51 h LYS 28 CO -0.07 0.74 0.20 0.00 -2.27 0.00 0.00 179.45 178.05 1k51 h ALA 29 N 0.68 0.39 -0.25 5.00 0.00 -0.89 -1.58 119.26 122.61 1k51 h ALA 29 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1k51 h ALA 29 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1k51 h ALA 29 CO 0.03 -0.14 -0.34 1.79 0.00 0.00 0.00 179.25 180.59 1k51 h THR 30 N 0.41 1.29 -0.94 0.00 1.35 -1.26 -2.33 112.91 111.43 1k51 h THR 30 Ca 0.11 -1.45 0.01 0.00 -0.55 0.00 0.00 66.41 64.53 1k51 h THR 30 Cb -0.04 1.46 -0.05 0.00 -1.73 0.00 0.00 68.15 67.80 1k51 h THR 30 CO -0.02 0.46 0.62 0.28 -0.25 0.00 0.00 175.52 176.61 1k51 h SER 31 N 0.46 1.08 -0.19 5.36 0.02 -0.99 -0.06 113.55 119.22 1k51 h SER 31 Ca 0.05 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 1k51 h SER 31 Cb 0.81 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1k51 h SER 31 CO 0.07 0.78 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.86 1k51 h GLU 32 N 1.27 0.71 -0.52 3.45 5.08 -1.09 -0.94 114.58 122.53 1k51 h GLU 32 Ca 0.34 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1k51 h GLU 32 Cb -0.14 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1k51 h GLU 32 CO -0.08 0.95 0.16 0.00 -1.00 0.00 0.00 179.01 179.04 1k51 h ALA 33 N 1.02 0.69 -0.33 3.43 0.00 -0.84 -0.86 119.26 122.37 1k51 h ALA 33 Ca 0.06 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1k51 h ALA 33 Cb 0.87 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1k51 h ALA 33 CO 0.08 0.35 -0.33 1.88 0.00 0.00 0.00 179.25 181.23 1k51 h TYR 34 N 0.72 0.85 -0.72 0.00 0.05 -0.91 -1.14 116.97 115.82 1k51 h TYR 34 Ca 0.17 -0.23 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 1k51 h TYR 34 Cb 0.28 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 1k51 h TYR 34 CO 0.02 0.96 0.30 0.00 -1.05 0.00 0.00 178.16 178.38 1k51 h ALA 35 N 1.02 0.93 -0.38 3.88 0.00 -0.92 -0.52 119.26 123.27 1k51 h ALA 35 Ca 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1k51 h ALA 35 Cb 0.85 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1k51 h ALA 35 CO 0.07 0.54 0.12 -0.92 0.00 0.00 0.00 179.25 179.07 1k51 h TYR 36 N 1.02 0.60 -0.99 0.00 3.20 -0.94 -2.65 116.97 117.22 1k51 h TYR 36 Ca 0.24 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.10 1k51 h TYR 36 Cb 0.19 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 1k51 h TYR 36 CO 0.01 0.57 0.65 0.00 -1.64 0.00 0.00 178.16 177.75 1k51 h ALA 37 N 0.97 1.37 0.00 1.82 0.00 -0.76 -1.88 119.26 120.78 1k51 h ALA 37 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1k51 h ALA 37 Cb 0.25 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1k51 h ALA 37 CO -0.00 0.52 -0.12 -0.44 0.00 0.00 0.00 179.25 179.21 1k51 h ASP 38 N 1.23 0.00 0.81 0.00 3.32 -0.76 -1.13 116.42 119.89 1k51 h ASP 38 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1k51 h ASP 38 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1k51 h ASP 38 CO -0.14 0.12 0.00 0.35 -1.72 0.00 0.00 179.24 177.85 1k51 n THR 39 N -4.32 0.71 0.92 0.35 -2.24 -0.71 -2.64 114.28 106.35 1k51 n THR 39 Ca -0.03 0.12 0.10 0.00 -2.27 0.00 0.00 64.05 61.98 1k51 n THR 39 Cb 0.19 -0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 67.51 1k51 n THR 39 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k51 n LEU 40 N -1.85 1.91 -0.27 3.22 4.77 -0.44 -4.51 117.00 119.83 1k51 n LEU 40 Ca 0.04 -0.76 -0.06 0.00 -0.03 0.00 0.00 56.01 55.20 1k51 n LEU 40 Cb 0.26 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1k51 n LEU 40 CO 0.20 0.36 1.02 0.11 -1.33 0.00 0.00 177.39 177.75 1k51 h LYS 41 N 2.23 1.12 -0.87 3.23 1.57 -1.41 0.18 116.57 122.62 1k51 h LYS 41 Ca 0.00 -0.21 0.18 0.00 -1.87 0.00 0.00 60.65 58.75 1k51 h LYS 41 Cb 0.70 -0.18 -0.11 0.00 0.08 0.00 0.00 32.23 32.72 1k51 h LYS 41 CO 0.00 0.93 0.43 0.87 -0.57 0.00 0.00 179.45 181.10 1k51 h LYS 42 N 1.08 0.52 0.00 3.15 1.79 -1.79 0.22 116.57 121.53 1k51 h LYS 42 Ca 0.25 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.60 1k51 h LYS 42 Cb 0.24 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1k51 h LYS 42 CO -0.02 0.34 -2.00 -0.25 -1.08 0.00 0.00 179.45 176.44 1k51 n ASP 43 N -4.94 0.08 -0.16 0.86 8.00 -1.14 -4.63 116.55 114.62 1k51 n ASP 43 Ca 0.19 0.03 0.02 0.00 0.71 0.00 0.00 54.79 55.75 1k51 n ASP 43 Cb 0.53 1.62 0.02 0.00 -0.02 0.00 0.00 41.12 43.27 1k51 n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1k51 n ASN 44 N -2.41 1.35 0.00 -2.24 4.13 0.04 -5.13 115.26 110.99 1k51 n ASN 44 Ca -0.10 -1.18 0.00 0.00 1.68 0.00 0.00 54.58 54.98 1k51 n ASN 44 Cb 0.71 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.94 1k51 n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k51 n GLY 45 N 0.22 -2.15 3.77 7.41 0.00 0.74 -4.82 105.19 110.36 1k51 n GLY 45 Ca 0.02 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 1k51 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k51 s GLU 46 N -0.18 3.66 0.17 1.61 0.41 -1.26 -4.33 118.70 118.77 1k51 s GLU 46 Ca 0.00 1.77 0.09 0.00 -0.41 0.00 0.00 54.97 56.42 1k51 s GLU 46 Cb 0.00 -2.33 -0.04 0.00 -1.78 0.00 0.00 34.13 29.98 1k51 s GLU 46 CO 0.00 -0.64 -0.19 1.67 -0.49 0.00 0.00 175.26 175.62 1k51 s TRP 47 N -1.57 1.86 0.18 1.61 1.48 -1.26 -5.11 118.94 116.13 1k51 s TRP 47 Ca 0.65 -0.46 0.07 0.00 -1.06 0.00 0.00 56.10 55.30 1k51 s TRP 47 Cb -0.28 -0.92 -0.04 0.00 -1.16 0.00 0.00 33.47 31.06 1k51 s TRP 47 CO 0.34 0.35 -0.14 0.95 -4.06 0.00 0.00 176.95 174.39 1k51 s THR 48 N -2.05 1.56 0.04 0.66 -4.23 -1.26 -5.16 115.64 105.20 1k51 s THR 48 Ca 0.16 -2.10 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1k51 s THR 48 Cb -0.06 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 1k51 s THR 48 CO 0.07 -0.60 -0.07 0.54 -0.54 0.00 0.00 174.62 174.02 1k51 s VAL 49 N -2.91 0.51 -0.10 2.29 0.11 -1.26 -5.09 120.40 113.95 1k51 s VAL 49 Ca 0.19 -1.05 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1k51 s VAL 49 Cb -0.01 -0.58 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1k51 s VAL 49 CO 0.05 -0.38 -0.14 -0.62 -3.33 0.00 0.00 175.10 170.69 1k51 s ASP 50 N -1.53 2.24 -0.22 3.54 2.15 -1.26 -5.12 116.67 116.47 1k51 s ASP 50 Ca -0.10 -0.38 -0.10 0.00 0.43 0.00 0.00 52.55 52.40 1k51 s ASP 50 Cb -0.10 -0.99 -0.05 0.00 -0.30 0.00 0.00 42.92 41.48 1k51 s ASP 50 CO 0.00 0.00 0.13 -0.69 -0.17 0.00 0.00 175.17 174.45 1k51 s VAL 51 N 0.99 5.19 -0.05 1.11 1.01 -1.26 -5.09 120.40 122.30 1k51 s VAL 51 Ca -0.07 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1k51 s VAL 51 Cb -0.15 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1k51 s VAL 51 CO -0.01 0.39 -0.11 0.00 0.00 0.00 0.00 175.10 175.37 1k51 s ALA 52 N 0.80 1.13 0.56 5.51 0.00 -1.26 -5.05 121.76 123.45 1k51 s ALA 52 Ca 0.07 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 1k51 s ALA 52 Cb -0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 1k51 s ALA 52 CO 0.02 0.14 1.07 0.16 0.00 0.00 0.00 175.76 177.15 1k51 s ASP 53 N 0.44 5.89 0.00 0.00 3.84 -1.26 -4.98 116.67 120.60 1k51 s ASP 53 Ca -0.09 1.93 0.00 0.00 -0.00 0.00 0.00 52.55 54.39 1k51 s ASP 53 Cb -0.13 -2.55 0.00 0.00 -1.38 0.00 0.00 42.92 38.86 1k51 s ASP 53 CO 0.02 -1.09 0.00 0.29 -0.00 0.00 0.00 175.17 174.39 1k51 n LYS 54 N -1.59 1.77 -3.68 2.11 4.76 -1.26 -5.12 118.16 115.15 1k51 n LYS 54 Ca 0.10 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.39 1k51 n LYS 54 Cb 0.52 -0.72 -0.08 0.00 -1.84 0.00 0.00 35.03 32.91 1k51 n LYS 54 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1k51 s ALA 55 N -1.45 -1.14 0.06 7.82 0.00 -1.26 -5.17 121.76 120.63 1k51 s ALA 55 Ca 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.69 1k51 s ALA 55 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1k51 s ALA 55 CO 0.00 -0.29 0.02 0.71 0.00 0.00 0.00 175.76 176.20 1k51 s TYR 56 N -1.09 0.44 -0.09 0.00 1.51 -1.26 -5.12 117.35 111.73 1k51 s TYR 56 Ca -0.11 -0.96 0.04 0.00 -1.01 0.00 0.00 57.07 55.03 1k51 s TYR 56 Cb -0.03 -0.31 -0.01 0.00 -0.11 0.00 0.00 41.96 41.49 1k51 s TYR 56 CO 0.06 -0.42 -0.20 0.99 -1.11 0.00 0.00 175.55 174.86 1k51 s THR 57 N -3.91 2.42 -0.20 -0.71 2.01 -1.26 -5.11 115.64 108.88 1k51 s THR 57 Ca 0.07 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.13 1k51 s THR 57 Cb 0.07 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 1k51 s THR 57 CO -0.10 0.56 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.55 1k51 s LEU 58 N 0.08 2.77 -0.41 4.42 1.02 -1.26 -5.07 118.68 120.23 1k51 s LEU 58 Ca -0.09 -0.42 -0.12 0.00 0.02 0.00 0.00 54.13 53.53 1k51 s LEU 58 Cb -0.15 -1.69 0.05 0.00 0.02 0.00 0.00 46.19 44.42 1k51 s LEU 58 CO 0.06 0.00 0.27 0.20 0.02 0.00 0.00 176.35 176.90 1k51 s ASN 59 N 1.32 5.82 -0.33 2.29 0.01 -1.26 -5.05 114.94 117.75 1k51 s ASN 59 Ca 0.04 -1.21 -0.08 0.00 -0.71 0.00 0.00 52.86 50.89 1k51 s ASN 59 Cb -0.14 -2.06 0.02 0.00 0.41 0.00 0.00 41.25 39.48 1k51 s ASN 59 CO -0.04 -0.49 0.13 -0.63 -1.51 0.00 0.00 177.10 174.56 1k51 s ILE 60 N 1.54 4.20 -0.16 0.60 1.01 -1.26 -5.09 121.20 122.05 1k51 s ILE 60 Ca 0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1k51 s ILE 60 Cb -0.21 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 1k51 s ILE 60 CO 0.06 -0.05 -0.02 -0.75 0.00 0.00 0.00 174.94 174.18 1k51 s LYS 61 N 1.52 3.72 -0.02 2.79 2.20 -1.26 -5.10 119.74 123.58 1k51 s LYS 61 Ca 0.02 -0.49 -0.13 0.00 -0.36 0.00 0.00 55.97 55.00 1k51 s LYS 61 Cb -0.18 -2.97 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 1k51 s LYS 61 CO 0.04 0.23 0.36 -0.06 -0.36 0.00 0.00 175.35 175.57 1k51 s PHE 62 N 0.41 3.71 -0.17 4.03 0.40 -1.26 -5.01 117.98 120.09 1k51 s PHE 62 Ca -0.03 0.92 0.17 0.00 -0.60 0.00 0.00 56.93 57.39 1k51 s PHE 62 Cb -0.14 -2.23 -0.00 0.00 0.51 0.00 0.00 43.02 41.15 1k51 s PHE 62 CO 0.02 0.66 1.18 0.00 0.70 0.00 0.00 175.22 177.78 1k51 h ALA 63 N 4.77 0.67 0.00 5.36 0.00 -2.08 -3.58 119.26 124.41 1k51 h ALA 63 Ca -0.52 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1k51 h ALA 63 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1k51 h ALA 63 CO 0.61 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.91