#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whj s SER 2 N 0.00 4.00 -0.00 1.61 0.01 -1.26 -5.07 113.70 112.99 1whj s SER 2 Ca 0.00 -3.08 -0.29 0.00 1.31 0.00 0.00 55.95 53.89 1whj s SER 2 Cb 0.00 -1.35 0.10 0.00 0.21 0.00 0.00 66.02 64.99 1whj s SER 2 CO 0.00 -0.20 0.91 -0.94 0.41 0.00 0.00 173.24 173.42 1whj s SER 3 N -0.32 -0.34 0.00 2.44 1.04 -1.26 -5.17 113.70 110.09 1whj s SER 3 Ca 0.20 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1whj s SER 3 Cb -0.18 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1whj s SER 3 CO -0.05 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1whj n GLY 4 N -0.26 -0.42 3.64 7.32 0.00 -1.26 -5.14 105.19 109.07 1whj n GLY 4 Ca -0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 1whj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whj s SER 5 N -4.00 -0.68 0.33 1.61 0.15 -1.26 -5.15 113.70 104.70 1whj s SER 5 Ca 0.00 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1whj s SER 5 Cb 0.00 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 1whj s SER 5 CO 0.00 -0.18 0.00 -1.54 1.20 0.00 0.00 173.24 172.72 1whj n SER 6 N 3.73 -7.99 0.00 5.45 3.41 -1.26 -4.89 113.62 112.07 1whj n SER 6 Ca -0.18 1.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 1whj n SER 6 Cb 0.58 -4.05 0.00 0.00 -0.26 0.00 0.00 64.21 60.48 1whj n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whj n GLY 7 N -3.92 3.30 3.41 5.00 0.00 -1.26 -5.01 105.19 106.70 1whj n GLY 7 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1whj n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1whj s LEU 8 N 0.00 5.46 0.08 0.99 0.20 -1.26 -4.99 118.68 119.17 1whj s LEU 8 Ca 0.00 -1.19 -0.31 0.00 0.69 0.00 0.00 54.13 53.32 1whj s LEU 8 Cb 0.00 -2.18 -0.14 0.00 -0.43 0.00 0.00 46.19 43.44 1whj s LEU 8 CO 0.00 -0.59 1.49 -0.65 -0.29 0.00 0.00 176.35 176.31 1whj h PRO 9 N 8.72 -0.74 0.00 0.98 0.11 -2.05 -3.48 132.00 135.55 1whj h PRO 9 Ca -0.28 0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.97 1whj h PRO 9 Cb 1.11 0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1whj h PRO 9 CO 0.83 -0.49 -0.11 -1.71 -0.21 0.00 0.00 178.00 176.31 1whj n ASN 10 N -5.13 -6.14 -3.64 -2.05 2.85 -1.26 -4.96 115.26 94.94 1whj n ASN 10 Ca -0.09 0.34 -0.05 0.00 -0.11 0.00 0.00 54.58 54.68 1whj n ASN 10 Cb 0.38 -0.96 -0.07 0.00 1.24 0.00 0.00 39.78 40.38 1whj n ASN 10 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1whj s SER 11 N -4.67 -0.77 0.08 1.20 0.01 -1.26 -5.17 113.70 103.12 1whj s SER 11 Ca 0.00 1.22 0.05 0.00 1.31 0.00 0.00 55.95 58.53 1whj s SER 11 Cb 0.00 1.35 -0.04 0.00 0.21 0.00 0.00 66.02 67.54 1whj s SER 11 CO 0.00 -0.19 -0.02 -0.62 0.41 0.00 0.00 173.24 172.82 1whj s ASP 12 N 1.57 4.90 0.00 2.44 2.15 -1.26 -4.92 116.67 121.55 1whj s ASP 12 Ca -0.09 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.69 1whj s ASP 12 Cb -0.05 -1.14 0.00 0.00 -0.30 0.00 0.00 42.92 41.44 1whj s ASP 12 CO -0.18 0.19 0.00 1.57 -0.17 0.00 0.00 175.17 176.58 1whj n HIS 13 N 0.71 -0.04 -1.19 -5.34 -0.00 -1.26 -5.16 115.22 102.94 1whj n HIS 13 Ca -0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.06 1whj n HIS 13 Cb 0.52 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 1whj n HIS 13 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1whj n THR 14 N -0.84 -3.12 -1.97 3.57 -1.04 -1.26 -4.90 114.28 104.71 1whj n THR 14 Ca 0.00 1.42 0.05 0.00 -2.04 0.00 0.00 64.05 63.48 1whj n THR 14 Cb 0.00 -2.14 0.13 0.00 -1.82 0.00 0.00 70.33 66.51 1whj n THR 14 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1whj n THR 15 N -1.70 1.34 -2.26 12.58 5.66 -1.26 -4.72 114.28 123.92 1whj n THR 15 Ca 0.00 -2.38 -0.01 0.00 -3.05 0.00 0.00 64.05 58.62 1whj n THR 15 Cb 0.20 0.25 -0.02 0.00 -1.55 0.00 0.00 70.33 69.21 1whj n THR 15 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1whj n SER 16 N -0.47 0.15 -0.01 1.09 7.64 -1.26 -4.79 113.62 115.97 1whj n SER 16 Ca 0.14 -1.95 -0.01 0.00 1.01 0.00 0.00 58.87 58.05 1whj n SER 16 Cb 0.88 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 64.01 1whj n SER 16 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1whj n ARG 17 N 0.26 0.05 -0.02 1.43 3.00 -1.26 -4.68 116.66 115.44 1whj n ARG 17 Ca -0.07 0.01 -0.10 0.00 -0.00 0.00 0.00 57.85 57.69 1whj n ARG 17 Cb 0.93 -0.99 -0.14 0.00 0.00 0.00 0.00 32.46 32.25 1whj n ARG 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1whj n ALA 18 N -2.60 1.44 0.12 5.13 0.00 -1.26 -4.02 120.51 119.31 1whj n ALA 18 Ca -0.03 -0.74 0.06 0.00 0.00 0.00 0.00 53.44 52.73 1whj n ALA 18 Cb 0.53 -0.85 0.53 0.00 0.00 0.00 0.00 19.45 19.67 1whj n ALA 18 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1whj h MET 19 N 0.01 0.28 -0.24 0.00 2.86 -1.86 0.50 114.93 116.48 1whj h MET 19 Ca -0.29 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.17 1whj h MET 19 Cb 2.01 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.60 1whj h MET 19 CO 0.08 0.19 -0.49 -0.07 1.06 0.00 0.00 176.91 177.68 1whj h LEU 20 N 0.29 0.72 -0.23 1.22 3.38 -1.84 -1.96 115.31 116.89 1whj h LEU 20 Ca 0.09 -0.36 -0.20 0.00 0.09 0.00 0.00 57.88 57.49 1whj h LEU 20 Cb -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1whj h LEU 20 CO -0.02 1.09 -0.92 0.74 0.09 0.00 0.00 178.44 179.42 1whj h THR 21 N 0.52 1.52 -0.34 0.22 2.02 -1.46 0.69 112.91 116.08 1whj h THR 21 Ca 0.02 -2.75 -0.14 0.00 0.77 0.00 0.00 66.41 64.32 1whj h THR 21 Cb 1.04 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.99 1whj h THR 21 CO 0.10 0.80 -0.34 0.77 0.37 0.00 0.00 175.52 177.22 1whj h SER 22 N 0.09 0.89 0.49 4.18 4.64 -0.88 -3.26 113.55 119.71 1whj h SER 22 Ca -0.05 -0.47 -0.30 0.00 -0.47 0.00 0.00 61.79 60.51 1whj h SER 22 Cb 1.57 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 1whj h SER 22 CO 0.14 1.18 -1.59 -0.07 -0.87 0.00 0.00 176.83 175.62 1whj h LEU 23 N 0.63 0.20 0.00 5.97 3.38 -1.41 -3.49 115.31 120.60 1whj h LEU 23 Ca 0.05 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1whj h LEU 23 Cb 0.92 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1whj h LEU 23 CO 0.08 1.29 0.00 0.61 0.09 0.00 0.00 178.44 180.51 1whj n GLY 24 N 1.63 1.87 3.95 0.83 0.00 0.12 -4.95 105.19 108.65 1whj n GLY 24 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 1whj n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1whj s LEU 25 N 0.00 4.06 -0.15 0.99 1.43 0.20 -4.99 118.68 120.22 1whj s LEU 25 Ca 0.00 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 1whj s LEU 25 Cb 0.00 -2.71 0.13 0.00 0.03 0.00 0.00 46.19 43.64 1whj s LEU 25 CO 0.00 -0.25 1.00 -0.54 0.23 0.00 0.00 176.35 176.80 1whj s LYS 26 N -4.05 0.59 -0.28 1.70 1.02 -1.26 -4.42 119.74 113.05 1whj s LYS 26 Ca 0.39 0.08 -0.28 0.00 0.02 0.00 0.00 55.97 56.19 1whj s LYS 26 Cb -0.09 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.45 1whj s LYS 26 CO 0.29 -0.20 2.25 -0.51 -0.92 0.00 0.00 175.35 176.26 1whj s LEU 27 N -1.30 3.43 0.00 3.17 1.43 -1.26 -2.03 118.68 122.12 1whj s LEU 27 Ca -0.00 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 1whj s LEU 27 Cb -0.01 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1whj s LEU 27 CO -0.00 -2.15 0.00 0.61 0.23 0.00 0.00 176.35 175.04 1whj n GLY 28 N 5.81 2.30 3.76 -3.19 0.00 -1.11 -5.05 105.19 107.70 1whj n GLY 28 Ca 0.31 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1whj n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1whj s ASP 29 N -0.21 3.01 -0.17 1.61 1.01 -0.86 -4.78 116.67 116.28 1whj s ASP 29 Ca 0.00 0.90 -0.21 0.00 0.71 0.00 0.00 52.55 53.95 1whj s ASP 29 Cb 0.00 -1.41 -0.03 0.00 1.01 0.00 0.00 42.92 42.49 1whj s ASP 29 CO 0.00 -2.85 0.63 -0.13 0.21 0.00 0.00 175.17 173.02 1whj s ARG 30 N -5.29 4.26 0.27 8.23 1.81 -1.26 -2.86 118.95 124.10 1whj s ARG 30 Ca 0.66 0.64 0.10 0.00 -1.72 0.00 0.00 55.73 55.41 1whj s ARG 30 Cb -0.14 -3.54 -0.05 0.00 -0.45 0.00 0.00 34.95 30.77 1whj s ARG 30 CO 0.54 -0.15 -0.07 0.14 -0.68 0.00 0.00 175.30 175.08 1whj s VAL 31 N 1.61 3.14 -0.10 3.52 -7.23 -0.97 -2.41 120.40 117.95 1whj s VAL 31 Ca 0.30 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1whj s VAL 31 Cb -0.16 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.13 1whj s VAL 31 CO 0.11 -0.37 -0.11 0.54 -0.31 0.00 0.00 175.10 174.96 1whj s VAL 32 N -2.36 1.18 -0.36 1.32 0.11 0.88 -2.84 120.40 118.34 1whj s VAL 32 Ca 0.31 -0.43 -0.29 0.00 -2.93 0.00 0.00 61.98 58.63 1whj s VAL 32 Cb -0.06 -1.13 0.02 0.00 -1.53 0.00 0.00 36.38 33.67 1whj s VAL 32 CO 0.18 0.38 1.18 -0.63 -3.33 0.00 0.00 175.10 172.88 1whj s ILE 33 N 1.26 4.29 -1.89 7.04 1.01 -0.79 -1.67 121.20 130.46 1whj s ILE 33 Ca -0.03 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.05 1whj s ILE 33 Cb -0.14 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1whj s ILE 33 CO -0.04 -0.62 0.00 0.00 0.00 0.00 0.00 174.94 174.28 1whj n ALA 34 N 7.45 -0.53 -2.94 9.38 0.00 0.18 -1.77 120.51 132.27 1whj n ALA 34 Ca 0.13 0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.57 1whj n ALA 34 Cb 0.47 -2.13 0.02 0.00 0.00 0.00 0.00 19.45 17.81 1whj n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1whj n GLY 35 N -0.82 -0.51 1.47 0.00 0.00 -1.22 -4.80 105.19 99.30 1whj n GLY 35 Ca -0.23 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1whj n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1whj n GLN 36 N -3.72 0.00 -2.07 1.61 1.13 -0.73 -5.10 117.38 108.50 1whj n GLN 36 Ca -0.12 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.57 1whj n GLN 36 Cb 0.62 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.98 1whj n GLN 36 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1whj s LYS 37 N -0.79 3.44 -0.09 -1.09 1.02 -1.07 -4.86 119.74 116.31 1whj s LYS 37 Ca 0.00 1.92 -0.00 0.00 0.02 0.00 0.00 55.97 57.91 1whj s LYS 37 Cb 0.00 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 1whj s LYS 37 CO 0.00 -0.85 -0.06 0.08 -0.92 0.00 0.00 175.35 173.59 1whj s VAL 38 N -1.48 3.72 -0.16 3.17 1.01 -1.26 -1.89 120.40 123.51 1whj s VAL 38 Ca 0.68 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1whj s VAL 38 Cb -0.32 -2.55 0.13 0.00 0.00 0.00 0.00 36.38 33.64 1whj s VAL 38 CO 0.38 0.57 1.06 -0.83 0.00 0.00 0.00 175.10 176.29 1whj s GLY 39 N -0.50 -0.25 -0.12 4.51 0.00 -1.13 -3.41 107.32 106.42 1whj s GLY 39 Ca 0.08 1.94 -0.24 0.00 0.00 0.00 0.00 44.72 46.49 1whj s GLY 39 CO 0.02 0.87 0.76 -1.59 0.00 0.00 0.00 173.10 173.16 1whj s THR 40 N -1.57 4.97 -0.06 0.90 2.01 -0.48 -2.30 115.64 119.11 1whj s THR 40 Ca 0.02 1.51 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 1whj s THR 40 Cb -0.01 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1whj s THR 40 CO -0.02 0.14 1.65 -0.22 -0.69 0.00 0.00 174.62 175.48 1whj s LEU 41 N 1.48 4.31 -0.08 4.42 2.96 -1.14 -0.95 118.68 129.69 1whj s LEU 41 Ca 0.37 2.22 0.02 0.00 -0.22 0.00 0.00 54.13 56.53 1whj s LEU 41 Cb -0.17 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 1whj s LEU 41 CO 0.15 -0.93 -0.04 0.54 -1.32 0.00 0.00 176.35 174.75 1whj n ARG 42 N 7.14 1.14 -4.12 1.98 5.12 0.02 -2.75 116.66 125.19 1whj n ARG 42 Ca 0.17 0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 55.99 1whj n ARG 42 Cb 0.43 -1.17 -0.11 0.00 -1.16 0.00 0.00 32.46 30.45 1whj n ARG 42 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1whj s PHE 43 N -2.16 0.84 -0.18 -1.55 5.36 0.20 -4.92 117.98 115.57 1whj s PHE 43 Ca -0.08 -0.62 -0.09 0.00 -0.96 0.00 0.00 56.93 55.18 1whj s PHE 43 Cb 0.03 -0.48 0.07 0.00 -0.34 0.00 0.00 43.02 42.29 1whj s PHE 43 CO 0.22 -0.07 0.43 0.00 -1.46 0.00 0.00 175.22 174.33 1whj n GLY 45 N 4.48 -0.19 3.41 0.00 0.00 -0.58 -5.00 105.19 107.31 1whj n GLY 45 Ca -0.20 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1whj n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1whj s THR 46 N -2.58 2.45 0.61 2.61 -4.23 -1.26 -1.24 115.64 112.00 1whj s THR 46 Ca 0.00 -1.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.06 1whj s THR 46 Cb 0.00 -2.04 0.12 0.00 1.34 0.00 0.00 72.50 71.91 1whj s THR 46 CO 0.00 0.23 0.83 0.35 -0.54 0.00 0.00 174.62 175.50 1whj n THR 47 N 1.30 0.00 -0.05 3.99 -2.24 -1.26 -4.97 114.28 111.04 1whj n THR 47 Ca -0.17 -1.43 -0.06 0.00 -2.27 0.00 0.00 64.05 60.13 1whj n THR 47 Cb 0.52 -0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 67.79 1whj n THR 47 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1whj n GLU 48 N -2.50 2.03 0.01 -0.78 -0.58 -1.26 -4.68 120.64 112.89 1whj n GLU 48 Ca 0.14 0.01 -0.18 0.00 -0.42 0.00 0.00 57.16 56.71 1whj n GLU 48 Cb 0.51 -1.26 -0.14 0.00 -0.57 0.00 0.00 31.44 29.98 1whj n GLU 48 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1whj h PHE 49 N 0.00 0.37 -1.41 -0.32 -0.00 -1.97 -3.47 116.94 110.14 1whj h PHE 49 Ca -0.28 -0.26 -0.46 0.00 -0.00 0.00 0.00 57.97 56.97 1whj h PHE 49 Cb 1.61 -0.02 -0.00 0.00 -0.00 0.00 0.00 35.95 37.53 1whj h PHE 49 CO 0.00 1.19 -0.30 0.00 -0.00 0.00 0.00 178.31 179.20 1whj s ALA 50 N -2.43 4.33 0.42 12.09 0.00 -1.26 -5.14 121.76 129.77 1whj s ALA 50 Ca -0.15 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.10 1whj s ALA 50 Cb -0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1whj s ALA 50 CO 0.78 -0.29 0.22 0.45 0.00 0.00 0.00 175.76 176.92 1whj s SER 51 N -4.27 4.53 0.00 0.00 0.15 -1.26 -4.43 113.70 108.42 1whj s SER 51 Ca 0.52 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1whj s SER 51 Cb -0.06 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1whj s SER 51 CO 0.31 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1whj n GLY 52 N -1.32 -1.49 3.82 9.45 0.00 -1.26 -4.88 105.19 109.51 1whj n GLY 52 Ca -0.01 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1whj n GLY 52 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1whj s GLN 53 N 0.00 4.22 0.19 1.61 2.00 -1.26 -4.55 119.66 121.86 1whj s GLN 53 Ca 0.00 1.04 -0.20 0.00 -2.00 0.00 0.00 55.36 54.20 1whj s GLN 53 Cb 0.00 -2.32 0.04 0.00 0.80 0.00 0.00 33.01 31.54 1whj s GLN 53 CO 0.00 0.05 0.57 -1.58 -0.50 0.00 0.00 175.29 173.83 1whj s TRP 54 N -2.06 -0.29 -0.23 1.67 0.52 -0.38 -3.90 118.94 114.28 1whj s TRP 54 Ca 0.59 -0.02 -0.26 0.00 0.02 0.00 0.00 56.10 56.43 1whj s TRP 54 Cb -0.10 0.48 0.07 0.00 -1.15 0.00 0.00 33.47 32.77 1whj s TRP 54 CO 0.15 -0.92 0.70 0.00 0.02 0.00 0.00 176.95 176.91 1whj s ALA 55 N -3.83 -1.75 -0.64 0.98 0.00 -0.78 -1.53 121.76 114.21 1whj s ALA 55 Ca 0.06 1.87 -0.19 0.00 0.00 0.00 0.00 51.96 53.70 1whj s ALA 55 Cb -0.01 -0.95 0.11 0.00 0.00 0.00 0.00 23.12 22.27 1whj s ALA 55 CO -0.06 -0.34 0.75 0.20 0.00 0.00 0.00 175.76 176.31 1whj s GLY 56 N 0.09 1.85 -0.05 0.00 0.00 0.09 -2.66 107.32 106.63 1whj s GLY 56 Ca -0.02 -2.35 -0.00 0.00 0.00 0.00 0.00 44.72 42.35 1whj s GLY 56 CO 0.03 1.60 -0.01 -0.42 0.00 0.00 0.00 173.10 174.30 1whj s ILE 57 N 2.52 4.16 -0.44 0.90 1.01 -0.74 -0.63 121.20 127.98 1whj s ILE 57 Ca 0.14 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 1whj s ILE 57 Cb -0.21 -2.79 0.08 0.00 0.01 0.00 0.00 42.46 39.55 1whj s ILE 57 CO 0.04 0.51 0.32 -0.70 0.00 0.00 0.00 174.94 175.11 1whj s GLU 58 N -1.15 2.77 0.70 2.79 -6.30 -0.12 -1.84 118.70 115.55 1whj s GLU 58 Ca 0.16 -1.41 -0.16 0.00 -2.50 0.00 0.00 54.97 51.05 1whj s GLU 58 Cb -0.11 -3.94 0.02 0.00 0.00 0.00 0.00 34.13 30.10 1whj s GLU 58 CO 0.05 -0.99 1.25 -0.51 0.02 0.00 0.00 175.26 175.09 1whj s LEU 59 N 1.52 3.42 0.28 2.70 1.43 -1.16 -1.38 118.68 125.48 1whj s LEU 59 Ca 0.03 2.50 0.11 0.00 -1.03 0.00 0.00 54.13 55.74 1whj s LEU 59 Cb -0.24 -4.60 0.38 0.00 0.03 0.00 0.00 46.19 41.76 1whj s LEU 59 CO 0.04 -2.21 1.62 0.44 0.23 0.00 0.00 176.35 176.47 1whj h ASP 60 N 0.02 0.00 -2.38 2.29 5.19 -1.91 -3.45 116.42 116.18 1whj h ASP 60 Ca -0.49 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.31 1whj h ASP 60 Cb 1.32 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.69 1whj h ASP 60 CO 0.51 0.60 -0.75 -1.61 -3.12 0.00 0.00 179.24 174.87 1whj s GLU 61 N -3.62 1.76 -0.91 3.56 0.41 -1.26 -5.04 118.70 113.61 1whj s GLU 61 Ca -0.01 -1.66 -0.26 0.00 -0.41 0.00 0.00 54.97 52.62 1whj s GLU 61 Cb 0.13 -1.86 -0.17 0.00 -1.78 0.00 0.00 34.13 30.45 1whj s GLU 61 CO 0.76 0.35 2.28 -2.14 -0.49 0.00 0.00 175.26 176.02 1whj s PRO 62 N -3.39 1.46 -0.02 0.39 0.02 -1.26 -4.51 135.00 127.70 1whj s PRO 62 Ca 0.29 0.11 0.22 0.00 0.02 0.00 0.00 61.00 61.63 1whj s PRO 62 Cb -0.06 -4.87 0.37 0.00 0.02 0.00 0.00 34.50 29.96 1whj s PRO 62 CO 0.15 -4.83 1.15 0.39 -0.33 0.00 0.00 177.00 173.53 1whj n GLU 63 N 8.58 0.14 -4.32 5.54 1.02 -1.02 -4.96 120.64 125.61 1whj n GLU 63 Ca 0.45 -1.94 -0.29 0.00 -0.02 0.00 0.00 57.16 55.35 1whj n GLU 63 Cb 0.45 -0.03 -0.11 0.00 -0.02 0.00 0.00 31.44 31.72 1whj n GLU 63 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1whj s GLY 64 N -1.96 1.68 -0.42 0.62 0.00 -0.53 -4.93 107.32 101.77 1whj s GLY 64 Ca 0.28 -1.41 0.05 0.00 0.00 0.00 0.00 44.72 43.64 1whj s GLY 64 CO -0.13 -1.39 1.82 0.28 0.00 0.00 0.00 173.10 173.67 1whj n LYS 65 N 0.68 2.18 -3.54 2.90 5.02 -1.21 -3.89 118.16 120.30 1whj n LYS 65 Ca -0.15 -3.06 -0.13 0.00 -2.02 0.00 0.00 58.31 52.95 1whj n LYS 65 Cb 0.53 -2.11 -0.04 0.00 -0.02 0.00 0.00 35.03 33.39 1whj n LYS 65 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1whj s ASN 66 N -1.59 -0.43 -0.32 4.39 0.01 -0.63 -4.99 114.94 111.37 1whj s ASN 66 Ca 0.55 0.02 0.08 0.00 -0.71 0.00 0.00 52.86 52.79 1whj s ASN 66 Cb 0.47 0.52 0.50 0.00 0.41 0.00 0.00 41.25 43.14 1whj s ASN 66 CO 0.08 -0.82 1.48 -0.46 -1.51 0.00 0.00 177.10 175.87 1whj n ASN 67 N 0.04 3.09 0.00 -1.22 6.94 -1.26 -1.70 115.26 121.15 1whj n ASN 67 Ca -0.17 -3.80 0.00 0.00 -0.02 0.00 0.00 54.58 50.59 1whj n ASN 67 Cb 0.62 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1whj n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1whj n GLY 68 N -1.07 1.90 3.16 4.83 0.00 -1.26 -4.26 105.19 108.49 1whj n GLY 68 Ca 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 1whj n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whj s SER 69 N -0.20 1.40 -0.29 1.61 1.04 -1.26 -2.91 113.70 113.08 1whj s SER 69 Ca 0.00 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1whj s SER 69 Cb 0.00 0.00 0.09 0.00 0.10 0.00 0.00 66.02 66.21 1whj s SER 69 CO 0.00 -0.22 0.05 -0.69 0.98 0.00 0.00 173.24 173.35 1whj s VAL 70 N -2.09 1.36 0.00 5.02 1.01 -0.86 -4.89 120.40 119.95 1whj s VAL 70 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1whj s VAL 70 Cb -0.05 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1whj s VAL 70 CO 0.00 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.21 1whj n GLY 71 N 4.67 2.13 1.48 4.51 0.00 -1.26 -3.29 105.19 113.43 1whj n GLY 71 Ca -0.03 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 1whj n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1whj n ARG 72 N 9.50 1.96 -4.21 1.61 0.63 -1.26 -4.97 116.66 119.92 1whj n ARG 72 Ca 0.00 -3.15 -0.16 0.00 -0.92 0.00 0.00 57.85 53.61 1whj n ARG 72 Cb 0.00 -1.93 -0.13 0.00 0.45 0.00 0.00 32.46 30.85 1whj n ARG 72 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1whj s VAL 73 N -3.29 0.65 0.07 5.15 1.01 -1.21 -5.16 120.40 117.63 1whj s VAL 73 Ca 0.48 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1whj s VAL 73 Cb 0.43 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 1whj s VAL 73 CO 0.03 -0.03 -0.23 -1.58 0.00 0.00 0.00 175.10 173.28 1whj s GLN 74 N -0.77 1.78 0.10 2.72 2.00 -1.26 -2.02 119.66 122.21 1whj s GLN 74 Ca -0.01 -1.14 0.00 0.00 -2.00 0.00 0.00 55.36 52.21 1whj s GLN 74 Cb -0.06 -2.04 0.00 0.00 0.80 0.00 0.00 33.01 31.71 1whj s GLN 74 CO 0.00 0.50 0.00 0.66 -0.50 0.00 0.00 175.29 175.95 1whj n TYR 75 N 1.39 -0.69 -4.02 1.67 4.02 -1.18 -5.03 117.16 113.31 1whj n TYR 75 Ca -0.17 0.12 -0.08 0.00 -0.01 0.00 0.00 57.90 57.76 1whj n TYR 75 Cb 0.52 0.29 -0.10 0.00 -0.02 0.00 0.00 39.34 40.03 1whj n TYR 75 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1whj s PHE 76 N -1.49 0.38 0.15 -0.72 -0.71 -1.15 -4.93 117.98 109.51 1whj s PHE 76 Ca 0.00 -0.81 -0.12 0.00 -1.04 0.00 0.00 56.93 54.97 1whj s PHE 76 Cb 0.00 -0.28 -0.07 0.00 -1.21 0.00 0.00 43.02 41.46 1whj s PHE 76 CO 0.00 -0.33 0.51 0.15 -1.34 0.00 0.00 175.22 174.21 1whj s LYS 77 N -3.02 3.87 0.00 1.99 3.01 -1.26 -4.17 119.74 120.15 1whj s LYS 77 Ca -0.01 0.34 -0.14 0.00 -1.01 0.00 0.00 55.97 55.15 1whj s LYS 77 Cb 0.01 -2.87 0.05 0.00 -1.01 0.00 0.00 37.83 34.01 1whj s LYS 77 CO -0.07 0.46 0.63 0.00 0.51 0.00 0.00 175.35 176.88 1whj s ALA 79 N -1.51 3.01 0.26 0.00 0.00 -1.26 -4.71 121.76 117.56 1whj s ALA 79 Ca 0.15 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 1whj s ALA 79 Cb -0.01 -2.87 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 1whj s ALA 79 CO 0.00 -1.09 1.23 -1.25 0.00 0.00 0.00 175.76 174.65 1whj s PRO 80 N -5.26 4.47 -1.50 0.00 0.04 -1.26 -3.03 135.00 128.45 1whj s PRO 80 Ca 0.57 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.60 1whj s PRO 80 Cb -0.11 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1whj s PRO 80 CO 0.49 -0.06 0.17 1.63 0.04 0.00 0.00 177.00 179.27 1whj n LYS 81 N 1.60 -2.35 0.00 4.56 5.02 -1.17 -4.85 118.16 120.97 1whj n LYS 81 Ca 0.02 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1whj n LYS 81 Cb 0.43 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 1whj n LYS 81 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1whj n TYR 82 N -4.13 0.00 -2.40 2.13 4.02 -1.12 -1.46 117.16 114.21 1whj n TYR 82 Ca -0.18 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.29 1whj n TYR 82 Cb 0.65 0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 39.98 1whj n TYR 82 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1whj s GLY 83 N -4.38 2.59 0.05 2.72 0.00 -0.69 -2.98 107.32 104.64 1whj s GLY 83 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 44.72 45.62 1whj s GLY 83 CO 0.00 1.90 -0.01 -1.50 0.00 0.00 0.00 173.10 173.48 1whj s ILE 84 N 0.28 0.19 -0.06 0.90 2.07 -0.77 -1.61 121.20 122.20 1whj s ILE 84 Ca 0.54 -1.60 0.06 0.00 -1.41 0.00 0.00 60.65 58.24 1whj s ILE 84 Cb -0.31 -1.28 -0.01 0.00 0.13 0.00 0.00 42.46 40.99 1whj s ILE 84 CO 0.34 -0.88 -0.24 -0.36 -1.91 0.00 0.00 174.94 171.89 1whj s PHE 85 N -3.45 2.47 0.02 3.50 0.08 -1.26 -1.79 117.98 117.55 1whj s PHE 85 Ca 0.03 -0.72 -0.02 0.00 0.12 0.00 0.00 56.93 56.34 1whj s PHE 85 Cb 0.04 -1.62 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1whj s PHE 85 CO -0.08 -0.21 0.02 0.00 -0.10 0.00 0.00 175.22 174.85 1whj s ALA 86 N -0.14 0.00 -0.06 5.36 0.00 -1.09 -4.92 121.76 120.91 1whj s ALA 86 Ca -0.04 -0.48 -0.34 0.00 0.00 0.00 0.00 51.96 51.10 1whj s ALA 86 Cb -0.14 0.15 -0.11 0.00 0.00 0.00 0.00 23.12 23.01 1whj s ALA 86 CO 0.04 -0.19 1.88 -2.30 0.00 0.00 0.00 175.76 175.20 1whj n PRO 87 N 1.48 2.27 -0.24 0.00 -0.02 -1.26 -1.87 135.00 135.36 1whj n PRO 87 Ca -0.23 0.83 0.04 0.00 -2.02 0.00 0.00 63.50 62.12 1whj n PRO 87 Cb 0.55 -2.69 0.15 0.00 -0.02 0.00 0.00 33.50 31.50 1whj n PRO 87 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1whj h LEU 88 N 9.25 -0.12 -2.24 2.45 5.85 -1.77 1.49 115.31 130.22 1whj h LEU 88 Ca -0.49 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.44 1whj h LEU 88 Cb 1.27 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1whj h LEU 88 CO 0.95 -0.08 0.22 -1.28 -0.34 0.00 0.00 178.44 177.91 1whj h SER 89 N 0.20 0.00 0.44 1.25 0.87 -1.89 0.71 113.55 115.13 1whj h SER 89 Ca 0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1whj h SER 89 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1whj h SER 89 CO -0.54 0.00 -0.80 0.29 -0.53 0.00 0.00 176.83 175.26 1whj n LYS 90 N -3.63 0.15 -3.96 2.24 4.76 0.49 -4.86 118.16 113.35 1whj n LYS 90 Ca 0.01 0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.11 1whj n LYS 90 Cb 0.34 -1.56 -0.09 0.00 -1.84 0.00 0.00 35.03 31.88 1whj n LYS 90 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1whj s ILE 91 N -3.10 4.99 0.40 -0.18 1.01 0.25 0.48 121.20 125.05 1whj s ILE 91 Ca 0.07 0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.81 1whj s ILE 91 Cb 0.16 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 1whj s ILE 91 CO 0.77 0.49 0.20 -1.20 0.00 0.00 0.00 174.94 175.20 1whj n SER 92 N 3.18 0.55 -4.66 3.58 7.64 -0.67 -4.85 113.62 118.39 1whj n SER 92 Ca -0.17 -3.27 -0.30 0.00 1.01 0.00 0.00 58.87 56.15 1whj n SER 92 Cb 0.53 1.31 0.17 0.00 -1.01 0.00 0.00 64.21 65.20 1whj n SER 92 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1whj s LYS 93 N -3.54 0.73 -0.25 1.43 2.36 -1.26 -0.08 119.74 119.12 1whj s LYS 93 Ca 0.28 0.99 -0.12 0.00 -2.55 0.00 0.00 55.97 54.58 1whj s LYS 93 Cb 0.01 -1.74 -0.05 0.00 -1.05 0.00 0.00 37.83 35.01 1whj s LYS 93 CO 0.20 -2.65 0.21 -1.17 1.55 0.00 0.00 175.35 173.50 1whj s LEU 94 N -6.52 4.08 0.86 5.43 2.96 -1.01 -4.30 118.68 120.17 1whj s LEU 94 Ca 0.65 0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 54.57 1whj s LEU 94 Cb -0.21 -2.18 0.15 0.00 0.50 0.00 0.00 46.19 44.46 1whj s LEU 94 CO 0.59 -0.02 1.19 -0.75 -1.32 0.00 0.00 176.35 176.05 1whj s LYS 95 N 1.44 1.21 -0.23 1.98 2.47 -1.26 -4.82 119.74 120.54 1whj s LYS 95 Ca 0.09 -0.51 -0.08 0.00 -1.56 0.00 0.00 55.97 53.92 1whj s LYS 95 Cb -0.15 -2.01 0.03 0.00 -1.46 0.00 0.00 37.83 34.24 1whj s LYS 95 CO 0.08 -1.96 0.15 -0.25 0.16 0.00 0.00 175.35 173.53 1whj n ASP 96 N -3.40 -3.16 -4.96 1.43 8.00 -1.26 -5.03 116.55 108.17 1whj n ASP 96 Ca 0.14 1.34 -0.22 0.00 0.71 0.00 0.00 54.79 56.76 1whj n ASP 96 Cb 0.60 -5.17 0.04 0.00 -0.02 0.00 0.00 41.12 36.57 1whj n ASP 96 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1whj s SER 97 N -1.00 5.17 -0.45 -2.24 1.04 -1.26 -5.07 113.70 109.88 1whj s SER 97 Ca -0.18 0.09 -0.06 0.00 0.48 0.00 0.00 55.95 56.29 1whj s SER 97 Cb 0.01 -0.92 0.12 0.00 0.10 0.00 0.00 66.02 65.32 1whj s SER 97 CO 0.77 -1.25 0.28 -0.83 0.98 0.00 0.00 173.24 173.20 1whj s GLY 98 N -4.45 2.03 -0.88 7.32 0.00 -1.26 -4.99 107.32 105.09 1whj s GLY 98 Ca 0.58 -2.56 -0.08 0.00 0.00 0.00 0.00 44.72 42.66 1whj s GLY 98 CO 0.40 1.07 2.06 -1.55 0.00 0.00 0.00 173.10 175.08 1whj n PRO 99 N 4.73 1.95 -1.13 2.90 -0.04 -1.26 -4.87 135.00 137.28 1whj n PRO 99 Ca -0.05 -1.51 0.15 0.00 -0.04 0.00 0.00 63.50 62.05 1whj n PRO 99 Cb 0.41 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.30 1whj n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1whj n SER 100 N 4.79 -6.62 -3.58 3.54 2.88 -1.26 -4.66 113.62 108.70 1whj n SER 100 Ca 0.44 0.49 -0.27 0.00 -1.33 0.00 0.00 58.87 58.20 1whj n SER 100 Cb 0.18 -3.55 -0.10 0.00 -0.75 0.00 0.00 64.21 59.98 1whj n SER 100 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1whj n SER 101 N -4.34 1.98 0.00 -3.46 2.88 -1.26 -5.26 113.62 104.16 1whj n SER 101 Ca 0.00 -3.00 0.00 0.00 -1.33 0.00 0.00 58.87 54.55 1whj n SER 101 Cb 0.63 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1whj n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42