#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c54 n VAL 2 N 0.00 2.00 1.99 2.12 0.31 -1.21 -4.83 118.33 118.72 1c54 n VAL 2 Ca 0.00 -0.50 0.08 0.00 -0.01 0.00 0.00 64.34 63.91 1c54 n VAL 2 Cb 0.00 -0.23 0.49 0.00 -0.91 0.00 0.00 33.84 33.19 1c54 n VAL 2 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1c54 n SER 3 N 1.82 0.00 0.00 4.52 2.88 -1.18 -4.96 113.62 116.70 1c54 n SER 3 Ca 0.16 -1.48 0.00 0.00 -1.33 0.00 0.00 58.87 56.22 1c54 n SER 3 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1c54 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c54 n GLY 4 N 0.76 1.67 3.98 0.46 0.00 -1.26 -5.07 105.19 105.73 1c54 n GLY 4 Ca 0.12 -2.07 -0.22 0.00 0.00 0.00 0.00 46.02 43.85 1c54 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c54 s THR 5 N -1.37 2.45 -0.20 2.61 2.01 -1.26 -2.36 115.64 117.51 1c54 s THR 5 Ca 0.00 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1c54 s THR 5 Cb 0.00 -2.80 0.07 0.00 0.01 0.00 0.00 72.50 69.77 1c54 s THR 5 CO 0.00 0.00 0.07 0.54 -0.69 0.00 0.00 174.62 174.54 1c54 s VAL 6 N -2.90 0.20 -0.07 3.82 0.11 0.28 -4.75 120.40 117.09 1c54 s VAL 6 Ca 0.61 -0.44 -0.39 0.00 -2.93 0.00 0.00 61.98 58.82 1c54 s VAL 6 Cb -0.08 -0.85 -0.17 0.00 -1.53 0.00 0.00 36.38 33.74 1c54 s VAL 6 CO 0.41 -0.32 1.42 0.00 -3.33 0.00 0.00 175.10 173.27 1c54 h LEU 8 N 5.00 0.39 -1.59 0.00 6.46 -1.24 0.03 115.31 124.36 1c54 h LEU 8 Ca -0.48 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.26 1c54 h LEU 8 Cb 1.35 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 1c54 h LEU 8 CO 0.82 0.21 -0.22 -1.28 -0.62 0.00 0.00 178.44 177.36 1c54 h SER 9 N 0.42 0.00 1.32 1.25 0.87 -1.78 -0.62 113.55 115.01 1c54 h SER 9 Ca 0.34 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.85 1c54 h SER 9 Cb 0.75 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1c54 h SER 9 CO -0.11 0.22 -0.24 0.00 -0.53 0.00 0.00 176.83 176.17 1c54 h ALA 10 N 1.78 0.91 -2.35 6.23 0.00 -1.26 -3.46 119.26 121.12 1c54 h ALA 10 Ca -0.00 -0.22 -0.48 0.00 0.00 0.00 0.00 54.91 54.21 1c54 h ALA 10 Cb 0.40 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.21 1c54 h ALA 10 CO 0.03 0.30 0.26 -0.51 0.00 0.00 0.00 179.25 179.33 1c54 s LEU 11 N -6.51 3.11 1.08 0.00 1.43 -0.24 -5.02 118.68 112.52 1c54 s LEU 11 Ca 0.03 0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 53.85 1c54 s LEU 11 Cb 0.08 -3.68 0.23 0.00 0.03 0.00 0.00 46.19 42.85 1c54 s LEU 11 CO 0.67 -1.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.01 1c54 s PRO 12 N -5.13 -0.20 0.48 1.29 0.04 -1.26 -4.91 135.00 125.31 1c54 s PRO 12 Ca 0.55 0.35 0.31 0.00 0.04 0.00 0.00 61.00 62.26 1c54 s PRO 12 Cb -0.11 -1.68 1.30 0.00 0.04 0.00 0.00 34.50 34.06 1c54 s PRO 12 CO 0.48 -3.11 1.93 -1.00 0.04 0.00 0.00 177.00 175.33 1c54 h PRO 13 N -2.16 0.00 0.00 0.56 0.13 -1.96 -2.50 132.00 126.06 1c54 h PRO 13 Ca -0.53 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.48 1c54 h PRO 13 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1c54 h PRO 13 CO 0.51 0.00 -0.95 1.49 -0.23 0.00 0.00 178.00 178.82 1c54 h GLU 14 N 0.00 0.00 -1.02 0.86 4.57 -1.92 -3.34 114.58 113.73 1c54 h GLU 14 Ca 0.00 0.00 0.26 0.00 -1.18 0.00 0.00 59.36 58.44 1c54 h GLU 14 Cb 0.46 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.93 1c54 h GLU 14 CO 0.00 0.34 0.61 0.00 -1.18 0.00 0.00 179.01 178.79 1c54 h ALA 15 N 1.53 1.92 -0.33 2.92 0.00 -1.72 0.42 119.26 123.99 1c54 h ALA 15 Ca -0.08 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1c54 h ALA 15 Cb 1.43 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1c54 h ALA 15 CO 0.05 -0.40 -0.30 0.00 0.00 0.00 0.00 179.25 178.60 1c54 h THR 16 N 0.51 1.28 -0.15 0.00 1.03 -1.72 -3.09 112.91 110.76 1c54 h THR 16 Ca 0.65 -1.42 0.05 0.00 -0.01 0.00 0.00 66.41 65.68 1c54 h THR 16 Cb 1.36 1.34 -0.06 0.00 -1.07 0.00 0.00 68.15 69.72 1c54 h THR 16 CO -0.45 0.46 -0.31 -0.78 -0.01 0.00 0.00 175.52 174.43 1c54 h ASP 17 N 0.60 -0.96 -0.05 0.00 1.82 -0.31 0.27 116.42 117.79 1c54 h ASP 17 Ca 0.07 0.14 0.02 0.00 -0.39 0.00 0.00 57.03 56.87 1c54 h ASP 17 Cb 0.80 0.41 -0.02 0.00 0.68 0.00 0.00 39.33 41.21 1c54 h ASP 17 CO 0.07 -0.34 -0.06 0.74 -1.61 0.00 0.00 179.24 178.04 1c54 h THR 18 N -0.37 0.84 -0.77 2.25 2.02 -1.49 0.64 112.91 116.03 1c54 h THR 18 Ca 0.10 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.50 1c54 h THR 18 Cb 0.53 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1c54 h THR 18 CO -0.36 0.00 0.55 -0.07 0.37 0.00 0.00 175.52 176.01 1c54 h LEU 19 N -0.07 0.03 -0.10 2.58 3.38 -1.36 0.32 115.31 120.09 1c54 h LEU 19 Ca 0.04 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 1c54 h LEU 19 Cb 0.13 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1c54 h LEU 19 CO -0.09 0.01 -0.96 -1.13 0.09 0.00 0.00 178.44 176.36 1c54 h ASN 20 N 0.03 0.78 0.37 -0.43 -0.73 0.11 -0.32 115.58 115.40 1c54 h ASN 20 Ca 0.37 -0.61 -0.13 0.00 1.87 0.00 0.00 56.30 57.80 1c54 h ASN 20 Cb 1.43 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.77 1c54 h ASN 20 CO -0.02 1.40 -0.56 -0.07 -0.37 0.00 0.00 177.43 177.82 1c54 h LEU 21 N 0.36 0.22 -0.36 0.34 3.38 0.15 0.89 115.31 120.29 1c54 h LEU 21 Ca -0.10 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.58 1c54 h LEU 21 Cb 1.60 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 1c54 h LEU 21 CO 0.18 0.74 -0.48 0.40 0.09 0.00 0.00 178.44 179.37 1c54 h ILE 22 N 0.16 1.28 -0.08 1.22 5.03 -0.43 0.61 117.51 125.28 1c54 h ILE 22 Ca -0.00 -1.66 -0.18 0.00 -0.12 0.00 0.00 64.86 62.90 1c54 h ILE 22 Cb 1.03 1.53 0.01 0.00 -3.03 0.00 0.00 36.82 36.36 1c54 h ILE 22 CO 0.08 0.55 -0.65 0.00 -0.68 0.00 0.00 178.15 177.45 1c54 h ALA 23 N 0.75 0.19 -0.35 1.87 0.00 -0.80 -3.18 119.26 117.74 1c54 h ALA 23 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1c54 h ALA 23 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1c54 h ALA 23 CO 0.11 0.48 0.00 0.45 0.00 0.00 0.00 179.25 180.29 1c54 n SER 24 N -4.12 2.19 -4.26 0.00 2.88 0.31 -4.93 113.62 105.68 1c54 n SER 24 Ca -0.09 -1.91 -0.31 0.00 -1.33 0.00 0.00 58.87 55.23 1c54 n SER 24 Cb 0.68 -0.23 -0.08 0.00 -0.75 0.00 0.00 64.21 63.83 1c54 n SER 24 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1c54 n ASP 25 N 0.68 0.56 0.00 -3.46 -0.08 0.29 -4.53 116.55 110.01 1c54 n ASP 25 Ca 0.15 -1.24 0.00 0.00 -1.51 0.00 0.00 54.79 52.19 1c54 n ASP 25 Cb 0.37 -1.79 0.00 0.00 2.34 0.00 0.00 41.12 42.04 1c54 n ASP 25 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c54 n GLY 26 N -2.49 -1.98 3.76 0.27 0.00 0.19 -4.89 105.19 100.04 1c54 n GLY 26 Ca -0.32 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 1c54 n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c54 s PRO 27 N 0.00 4.58 0.00 1.61 0.04 -1.26 -4.84 135.00 135.13 1c54 s PRO 27 Ca 0.00 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1c54 s PRO 27 Cb 0.00 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 1c54 s PRO 27 CO 0.00 0.19 0.42 -0.06 0.04 0.00 0.00 177.00 177.60 1c54 s PHE 28 N -1.27 3.73 -0.03 0.56 0.40 -1.26 -4.93 117.98 115.18 1c54 s PHE 28 Ca 0.47 1.01 -0.05 0.00 -0.60 0.00 0.00 56.93 57.76 1c54 s PHE 28 Cb -0.29 -2.32 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 1c54 s PHE 28 CO 0.37 0.62 0.32 -1.00 0.70 0.00 0.00 175.22 176.23 1c54 h PRO 29 N 4.77 -0.17 -7.20 0.24 0.13 -1.98 -3.46 132.00 124.32 1c54 h PRO 29 Ca -0.51 0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.11 1c54 h PRO 29 Cb 1.22 0.04 0.20 0.00 0.13 0.00 0.00 31.00 32.59 1c54 h PRO 29 CO 0.62 -0.12 0.10 0.66 -0.23 0.00 0.00 178.00 179.04 1c54 n TYR 30 N -3.65 0.46 1.91 1.56 4.02 -1.26 -4.90 117.16 115.29 1c54 n TYR 30 Ca -0.02 0.35 0.01 0.00 -0.01 0.00 0.00 57.90 58.23 1c54 n TYR 30 Cb 0.07 -1.96 0.02 0.00 -0.02 0.00 0.00 39.34 37.46 1c54 n TYR 30 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1c54 n SER 31 N -3.91 0.15 -4.22 7.72 7.64 -1.26 -4.57 113.62 115.17 1c54 n SER 31 Ca 0.11 -1.99 -0.42 0.00 1.01 0.00 0.00 58.87 57.58 1c54 n SER 31 Cb 0.52 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 1c54 n SER 31 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1c54 s GLN 32 N -1.96 3.34 0.00 1.43 0.74 -1.26 -4.94 119.66 117.00 1c54 s GLN 32 Ca 0.02 -2.75 0.00 0.00 0.05 0.00 0.00 55.36 52.68 1c54 s GLN 32 Cb 0.01 -4.16 0.00 0.00 1.10 0.00 0.00 33.01 29.96 1c54 s GLN 32 CO 0.02 -1.24 0.00 -0.40 -0.55 0.00 0.00 175.29 173.11 1c54 n ASP 33 N 3.33 0.00 -0.03 6.67 5.75 -1.25 -3.44 116.55 127.58 1c54 n ASP 33 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1c54 n ASP 33 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1c54 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c54 n GLY 34 N -0.15 0.83 3.20 6.12 0.00 -1.26 -5.07 105.19 108.85 1c54 n GLY 34 Ca 0.00 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 1c54 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c54 s VAL 35 N -2.06 1.24 0.41 1.61 -7.23 -1.26 -5.07 120.40 108.04 1c54 s VAL 35 Ca 0.00 -1.35 -0.07 0.00 -1.81 0.00 0.00 61.98 58.75 1c54 s VAL 35 Cb 0.00 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 1c54 s VAL 35 CO 0.00 -0.18 0.72 -0.69 -0.31 0.00 0.00 175.10 174.64 1c54 s VAL 36 N -1.24 4.90 -0.36 1.32 1.01 -1.26 -1.80 120.40 122.97 1c54 s VAL 36 Ca -0.00 0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1c54 s VAL 36 Cb -0.10 -3.79 0.12 0.00 0.00 0.00 0.00 36.38 32.61 1c54 s VAL 36 CO 0.03 -0.61 0.18 0.12 0.00 0.00 0.00 175.10 174.82 1c54 s PHE 37 N -2.45 1.21 -0.34 5.22 5.36 0.72 -4.65 117.98 123.04 1c54 s PHE 37 Ca 0.48 -1.74 -0.04 0.00 -0.96 0.00 0.00 56.93 54.66 1c54 s PHE 37 Cb -0.10 -1.35 -0.11 0.00 -0.34 0.00 0.00 43.02 41.12 1c54 s PHE 37 CO 0.36 -0.83 2.15 0.94 -1.46 0.00 0.00 175.22 176.39 1c54 n GLN 38 N 4.28 1.45 -3.45 10.12 0.00 -1.26 -4.39 117.38 124.12 1c54 n GLN 38 Ca 0.05 -0.88 -0.13 0.00 -0.00 0.00 0.00 57.00 56.03 1c54 n GLN 38 Cb 0.38 -2.03 -0.02 0.00 0.00 0.00 0.00 30.24 28.58 1c54 n GLN 38 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1c54 n ASN 39 N 3.31 -0.43 0.25 1.69 6.94 -1.26 -4.68 115.26 121.07 1c54 n ASN 39 Ca 0.31 -0.45 0.17 0.00 -0.02 0.00 0.00 54.58 54.59 1c54 n ASN 39 Cb 0.36 -0.55 0.90 0.00 -2.36 0.00 0.00 39.78 38.12 1c54 n ASN 39 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1c54 h ARG 40 N 0.50 0.00 0.00 -3.83 -0.00 -2.01 0.68 114.38 109.72 1c54 h ARG 40 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.24 1c54 h ARG 40 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.46 1c54 h ARG 40 CO 0.22 0.00 0.00 0.39 0.00 0.00 0.00 179.97 180.58 1c54 n GLU 41 N -3.65 0.07 -4.34 0.04 1.02 -1.26 -4.91 120.64 107.61 1c54 n GLU 41 Ca -0.00 0.15 -0.39 0.00 -0.02 0.00 0.00 57.16 56.90 1c54 n GLU 41 Cb 0.25 -1.60 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 1c54 n GLU 41 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1c54 n SER 42 N -1.74 -2.69 -0.00 1.62 2.88 0.24 -4.78 113.62 109.15 1c54 n SER 42 Ca 0.05 -1.09 0.06 0.00 -1.33 0.00 0.00 58.87 56.57 1c54 n SER 42 Cb 0.31 -2.25 -0.09 0.00 -0.75 0.00 0.00 64.21 61.43 1c54 n SER 42 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1c54 n VAL 43 N -4.22 0.00 -4.01 2.46 0.31 -1.26 -4.91 118.33 106.70 1c54 n VAL 43 Ca 0.10 -0.25 -0.30 0.00 -0.01 0.00 0.00 64.34 63.88 1c54 n VAL 43 Cb 0.47 0.61 -0.05 0.00 -0.91 0.00 0.00 33.84 33.96 1c54 n VAL 43 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1c54 s LEU 44 N -3.26 4.01 -0.67 7.52 2.01 -1.26 -3.30 118.68 123.73 1c54 s LEU 44 Ca 0.00 0.08 -0.06 0.00 0.01 0.00 0.00 54.13 54.16 1c54 s LEU 44 Cb 0.09 -2.65 -0.13 0.00 0.01 0.00 0.00 46.19 43.51 1c54 s LEU 44 CO 0.55 0.16 2.65 -0.81 1.01 0.00 0.00 176.35 179.90 1c54 n PRO 45 N 0.29 2.20 0.00 1.29 -0.04 -1.26 -4.80 135.00 132.68 1c54 n PRO 45 Ca -0.07 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1c54 n PRO 45 Cb 0.52 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1c54 n PRO 45 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1c54 n THR 46 N 3.34 0.00 0.00 0.52 -1.04 -1.26 -4.99 114.28 110.85 1c54 n THR 46 Ca 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 1c54 n THR 46 Cb 0.41 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 1c54 n THR 46 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1c54 n GLN 47 N -0.37 0.00 -4.26 -2.82 7.27 -1.26 -5.15 117.38 110.78 1c54 n GLN 47 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.83 1c54 n GLN 47 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 1c54 n GLN 47 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1c54 s SER 48 N 0.00 4.42 0.01 1.69 1.04 -1.26 -5.13 113.70 114.47 1c54 s SER 48 Ca 0.00 -0.81 -0.17 0.00 0.48 0.00 0.00 55.95 55.45 1c54 s SER 48 Cb 0.00 -0.69 -0.06 0.00 0.10 0.00 0.00 66.02 65.38 1c54 s SER 48 CO 0.00 -0.16 0.47 -0.47 0.98 0.00 0.00 173.24 174.07 1c54 s TYR 49 N -2.42 3.73 -0.14 5.02 5.04 -1.26 -4.02 117.35 123.29 1c54 s TYR 49 Ca 0.34 1.08 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 1c54 s TYR 49 Cb -0.03 -2.40 0.00 0.00 0.35 0.00 0.00 41.96 39.88 1c54 s TYR 49 CO 0.20 0.56 0.00 0.41 -1.34 0.00 0.00 175.55 175.38 1c54 n GLY 50 N 1.99 0.45 0.80 8.97 0.00 -1.26 -4.88 105.19 111.26 1c54 n GLY 50 Ca -0.12 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.78 1c54 n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1c54 n TYR 51 N -2.71 0.59 -3.74 1.61 9.36 -1.26 -4.80 117.16 116.22 1c54 n TYR 51 Ca -0.01 -0.23 -0.13 0.00 3.32 0.00 0.00 57.90 60.84 1c54 n TYR 51 Cb 0.17 -0.15 -0.09 0.00 -0.63 0.00 0.00 39.34 38.64 1c54 n TYR 51 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1c54 s TYR 52 N -1.64 -0.32 0.05 2.98 1.51 -1.26 -2.72 117.35 115.95 1c54 s TYR 52 Ca 0.19 0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 56.86 1c54 s TYR 52 Cb 0.13 0.14 -0.02 0.00 -0.11 0.00 0.00 41.96 42.09 1c54 s TYR 52 CO 0.08 -0.32 0.06 -1.01 -1.11 0.00 0.00 175.55 173.26 1c54 s HIS 53 N -0.63 0.31 0.06 2.71 3.76 -0.53 -0.20 115.29 120.76 1c54 s HIS 53 Ca -0.07 -0.73 0.05 0.00 -0.15 0.00 0.00 55.06 54.16 1c54 s HIS 53 Cb -0.04 -0.22 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 1c54 s HIS 53 CO 0.03 -0.40 -0.06 -1.21 -0.85 0.00 0.00 174.74 172.25 1c54 s GLU 54 N -3.29 2.41 -0.46 1.40 2.02 -0.74 -1.53 118.70 118.50 1c54 s GLU 54 Ca 0.01 -0.85 0.06 0.00 0.02 0.00 0.00 54.97 54.21 1c54 s GLU 54 Cb 0.03 -2.44 0.29 0.00 0.10 0.00 0.00 34.13 32.11 1c54 s GLU 54 CO -0.08 0.56 1.05 0.66 0.02 0.00 0.00 175.26 177.47 1c54 n TYR 55 N 1.04 -2.91 -1.49 1.61 4.01 -0.17 -3.83 117.16 115.42 1c54 n TYR 55 Ca -0.14 -1.91 -0.58 0.00 -0.16 0.00 0.00 57.90 55.10 1c54 n TYR 55 Cb 0.52 1.59 -0.08 0.00 -0.31 0.00 0.00 39.34 41.06 1c54 n TYR 55 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1c54 n THR 56 N 0.84 0.00 -2.85 -0.72 -1.04 -1.22 -3.71 114.28 105.58 1c54 n THR 56 Ca 0.07 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.66 1c54 n THR 56 Cb 0.68 -0.13 -0.04 0.00 -1.82 0.00 0.00 70.33 69.02 1c54 n THR 56 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1c54 s VAL 57 N 0.78 4.82 1.02 12.58 0.11 -1.16 -4.83 120.40 133.72 1c54 s VAL 57 Ca 0.90 1.66 -0.20 0.00 -2.93 0.00 0.00 61.98 61.42 1c54 s VAL 57 Cb -1.27 -4.15 -0.06 0.00 -1.53 0.00 0.00 36.38 29.37 1c54 s VAL 57 CO 0.61 -0.07 -0.57 -0.38 -3.33 0.00 0.00 175.10 171.36 1c54 n ILE 58 N 5.18 0.00 -3.59 7.04 5.41 -1.26 -4.74 119.36 127.40 1c54 n ILE 58 Ca 0.06 -0.24 -0.16 0.00 1.00 0.00 0.00 62.75 63.42 1c54 n ILE 58 Cb 0.47 -0.29 -0.07 0.00 -0.71 0.00 0.00 39.64 39.05 1c54 n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1c54 s THR 59 N -2.14 0.00 0.50 1.39 2.01 -1.26 -4.69 115.64 111.45 1c54 s THR 59 Ca 0.47 -0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.24 1c54 s THR 59 Cb -0.09 -0.96 -0.08 0.00 0.01 0.00 0.00 72.50 71.39 1c54 s THR 59 CO 0.70 -0.01 1.07 -2.16 -0.69 0.00 0.00 174.62 173.53 1c54 s PRO 60 N -0.55 3.66 -1.62 4.92 0.04 -1.26 -3.29 135.00 136.90 1c54 s PRO 60 Ca -0.07 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1c54 s PRO 60 Cb -0.02 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1c54 s PRO 60 CO 0.06 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1c54 n GLY 61 N -0.07 1.25 3.49 0.56 0.00 -1.26 -4.86 105.19 104.30 1c54 n GLY 61 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1c54 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c54 s ALA 62 N -2.38 3.39 0.58 4.61 0.00 -1.21 -4.82 121.76 121.94 1c54 s ALA 62 Ca 0.00 -2.84 0.35 0.00 0.00 0.00 0.00 51.96 49.47 1c54 s ALA 62 Cb 0.00 -4.24 1.40 0.00 0.00 0.00 0.00 23.12 20.28 1c54 s ALA 62 CO 0.00 -3.10 1.64 0.00 0.00 0.00 0.00 175.76 174.30 1c54 h ARG 63 N 8.44 0.00 0.00 0.00 3.08 -1.90 -3.43 114.38 120.57 1c54 h ARG 63 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1c54 h ARG 63 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1c54 h ARG 63 CO 1.25 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 180.40 1c54 n THR 64 N -3.76 0.00 0.27 2.04 -2.24 -1.26 -5.00 114.28 104.32 1c54 n THR 64 Ca 0.25 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.19 1c54 n THR 64 Cb 1.36 0.00 0.83 0.00 -2.10 0.00 0.00 70.33 70.42 1c54 n THR 64 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1c54 h ARG 65 N 0.00 0.00 -2.65 -0.78 3.08 -2.00 -3.48 114.38 108.56 1c54 h ARG 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1c54 h ARG 65 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1c54 h ARG 65 CO 0.00 0.00 -0.62 0.41 -1.07 0.00 0.00 179.97 178.69 1c54 n GLY 66 N -1.20 -4.40 0.33 0.04 0.00 -1.26 -4.71 105.19 93.98 1c54 n GLY 66 Ca -0.02 -0.65 0.21 0.00 0.00 0.00 0.00 46.02 45.56 1c54 n GLY 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1c54 h THR 67 N 1.85 0.27 -0.01 2.61 1.35 -1.91 -3.41 112.91 113.66 1c54 h THR 67 Ca 0.00 -0.09 -0.56 0.00 -0.55 0.00 0.00 66.41 65.21 1c54 h THR 67 Cb 0.00 -0.01 -0.08 0.00 -1.73 0.00 0.00 68.15 66.33 1c54 h THR 67 CO 0.00 0.05 1.65 0.54 -0.25 0.00 0.00 175.52 177.51 1c54 n ARG 68 N -5.14 0.01 -4.70 4.72 1.74 -1.25 -1.64 116.66 110.40 1c54 n ARG 68 Ca 0.29 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.13 1c54 n ARG 68 Cb 0.92 -1.51 -0.16 0.00 -1.02 0.00 0.00 32.46 30.69 1c54 n ARG 68 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1c54 s ARG 69 N 8.28 1.46 -0.07 5.56 6.06 -1.26 -2.97 118.95 136.00 1c54 s ARG 69 Ca 1.32 -0.52 -0.02 0.00 -2.50 0.00 0.00 55.73 54.01 1c54 s ARG 69 Cb -1.31 -1.31 -0.03 0.00 0.06 0.00 0.00 34.95 32.35 1c54 s ARG 69 CO 0.53 0.23 0.03 0.42 -2.50 0.00 0.00 175.30 174.01 1c54 s ILE 70 N -0.01 4.53 -0.26 4.11 1.01 -1.24 -2.10 121.20 127.24 1c54 s ILE 70 Ca -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 1c54 s ILE 70 Cb -0.10 -2.94 0.08 0.00 0.01 0.00 0.00 42.46 39.51 1c54 s ILE 70 CO 0.01 0.56 0.04 -0.63 0.00 0.00 0.00 174.94 174.92 1c54 s ILE 71 N -0.96 1.05 0.45 2.92 -1.09 0.61 -1.00 121.20 123.19 1c54 s ILE 71 Ca 0.15 -1.19 -0.00 0.00 -2.23 0.00 0.00 60.65 57.38 1c54 s ILE 71 Cb -0.12 -1.60 -0.01 0.00 -1.58 0.00 0.00 42.46 39.16 1c54 s ILE 71 CO 0.04 -0.39 0.68 0.42 -1.23 0.00 0.00 174.94 174.47 1c54 s THR 72 N 1.57 4.13 0.15 2.92 -4.23 -0.58 0.99 115.64 120.59 1c54 s THR 72 Ca 0.03 -0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1c54 s THR 72 Cb -0.18 -3.54 0.01 0.00 1.34 0.00 0.00 72.50 70.14 1c54 s THR 72 CO -0.14 -0.40 0.10 0.61 -0.54 0.00 0.00 174.62 174.25 1c54 n GLY 73 N -2.10 3.08 0.14 3.99 0.00 -0.36 -1.45 105.19 108.48 1c54 n GLY 73 Ca 0.01 -2.21 0.13 0.00 0.00 0.00 0.00 46.02 43.95 1c54 n GLY 73 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1c54 h GLU 74 N 0.00 0.00 -5.46 1.61 4.57 -1.85 -3.43 114.58 110.02 1c54 h GLU 74 Ca -0.10 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.44 1c54 h GLU 74 Cb 0.34 0.00 -0.20 0.00 -0.16 0.00 0.00 28.75 28.73 1c54 h GLU 74 CO 0.15 0.00 -0.66 0.00 -1.18 0.00 0.00 179.01 177.32 1c54 s ALA 75 N -3.23 3.05 0.71 2.92 0.00 -1.26 -5.10 121.76 118.85 1c54 s ALA 75 Ca 0.07 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 1c54 s ALA 75 Cb 0.10 -1.53 0.02 0.00 0.00 0.00 0.00 23.12 21.71 1c54 s ALA 75 CO 0.54 0.29 1.21 2.41 0.00 0.00 0.00 175.76 180.21 1c54 n THR 76 N 3.23 3.71 -2.34 0.00 -1.04 -1.26 -3.33 114.28 113.25 1c54 n THR 76 Ca -0.18 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.05 61.35 1c54 n THR 76 Cb 0.53 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 1c54 n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c54 n GLN 77 N -2.32 -1.30 -3.21 -2.82 6.02 -1.26 -4.98 117.38 107.51 1c54 n GLN 77 Ca 0.15 0.42 -0.24 0.00 -0.01 0.00 0.00 57.00 57.32 1c54 n GLN 77 Cb 0.49 -4.33 -0.07 0.00 1.02 0.00 0.00 30.24 27.35 1c54 n GLN 77 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1c54 n GLU 78 N -1.98 1.06 -4.56 -1.09 1.02 -1.21 -4.79 120.64 109.08 1c54 n GLU 78 Ca -0.08 -3.48 -0.33 0.00 -0.02 0.00 0.00 57.16 53.24 1c54 n GLU 78 Cb 0.57 -1.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.41 1c54 n GLU 78 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1c54 s ASP 79 N -1.58 4.45 -0.17 1.62 2.15 -1.26 -1.23 116.67 120.66 1c54 s ASP 79 Ca 0.37 -0.22 -0.09 0.00 0.43 0.00 0.00 52.55 53.04 1c54 s ASP 79 Cb 0.19 -1.71 -0.05 0.00 -0.30 0.00 0.00 42.92 41.06 1c54 s ASP 79 CO -0.09 0.16 0.13 -0.31 -0.17 0.00 0.00 175.17 174.89 1c54 s TYR 80 N 0.37 3.47 -0.16 -5.34 2.02 0.28 -0.43 117.35 117.55 1c54 s TYR 80 Ca -0.07 0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.99 1c54 s TYR 80 Cb -0.15 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 1c54 s TYR 80 CO 0.04 0.45 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.93 1c54 s TYR 81 N -0.18 2.92 -0.02 2.71 6.14 -0.03 -0.28 117.35 128.61 1c54 s TYR 81 Ca 0.10 -0.59 -0.01 0.00 0.64 0.00 0.00 57.07 57.21 1c54 s TYR 81 Cb -0.11 -1.95 -0.00 0.00 0.42 0.00 0.00 41.96 40.31 1c54 s TYR 81 CO 0.00 -0.23 -0.02 -2.37 0.64 0.00 0.00 175.55 173.57 1c54 n THR 82 N 3.85 0.18 0.00 4.34 5.66 -0.89 -1.38 114.28 126.04 1c54 n THR 82 Ca -0.18 0.46 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 1c54 n THR 82 Cb 0.52 -1.61 0.00 0.00 -1.55 0.00 0.00 70.33 67.69 1c54 n THR 82 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1c54 n GLY 83 N 1.71 2.73 0.53 1.09 0.00 -1.26 -4.40 105.19 105.59 1c54 n GLY 83 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1c54 n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c54 n ASP 84 N 0.00 2.50 0.00 1.61 8.00 -1.26 -3.93 116.55 123.47 1c54 n ASP 84 Ca 0.00 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.71 1c54 n ASP 84 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1c54 n ASP 84 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1c54 n HIS 85 N 0.49 0.00 0.00 1.24 -0.00 -0.65 -4.35 115.22 111.95 1c54 n HIS 85 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 1c54 n HIS 85 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 1c54 n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1c54 n TYR 86 N -2.00 0.00 0.00 1.57 4.02 -1.26 -4.86 117.16 114.63 1c54 n TYR 86 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1c54 n TYR 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1c54 n TYR 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1c54 n ALA 87 N 0.00 2.49 -2.44 -0.72 0.00 -1.26 -5.09 120.51 113.49 1c54 n ALA 87 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1c54 n ALA 87 Cb 0.00 0.50 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 1c54 n ALA 87 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1c54 s THR 88 N -2.00 1.32 -0.29 0.00 -4.23 -1.26 -5.08 115.64 104.10 1c54 s THR 88 Ca 0.00 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.42 1c54 s THR 88 Cb 0.00 -2.68 0.15 0.00 1.34 0.00 0.00 72.50 71.32 1c54 s THR 88 CO 0.00 -0.11 0.61 -0.36 -0.54 0.00 0.00 174.62 174.22 1c54 s PHE 89 N -3.21 -1.40 -0.15 3.99 0.08 -1.20 -3.58 117.98 112.51 1c54 s PHE 89 Ca 0.34 2.00 -0.02 0.00 0.12 0.00 0.00 56.93 59.37 1c54 s PHE 89 Cb 0.07 0.66 0.05 0.00 -0.57 0.00 0.00 43.02 43.23 1c54 s PHE 89 CO 0.14 -0.74 0.03 -1.12 -0.10 0.00 0.00 175.22 173.42 1c54 s SER 90 N 2.86 2.36 1.00 1.36 0.01 -0.48 -3.08 113.70 117.74 1c54 s SER 90 Ca 0.05 -0.53 -0.19 0.00 1.31 0.00 0.00 55.95 56.60 1c54 s SER 90 Cb -0.13 -0.51 -0.15 0.00 0.21 0.00 0.00 66.02 65.44 1c54 s SER 90 CO -0.19 -0.27 -0.87 0.18 0.41 0.00 0.00 173.24 172.50 1c54 n LEU 91 N 5.10 -5.18 -4.57 2.44 4.77 -1.00 -0.85 117.00 117.72 1c54 n LEU 91 Ca -0.08 0.15 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 1c54 n LEU 91 Cb 0.48 -0.74 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 1c54 n LEU 91 CO 0.12 -5.29 -0.29 -0.63 -1.33 0.00 0.00 177.39 169.97 1c54 s ILE 92 N -2.02 4.39 -0.73 -0.08 1.09 0.43 0.10 121.20 124.38 1c54 s ILE 92 Ca 0.40 -0.18 -0.12 0.00 -1.10 0.00 0.00 60.65 59.66 1c54 s ILE 92 Cb -0.13 -2.96 0.19 0.00 -1.06 0.00 0.00 42.46 38.50 1c54 s ILE 92 CO 0.79 0.47 0.64 -0.62 -0.10 0.00 0.00 174.94 176.12 1c54 s ASP 93 N 0.41 6.34 0.33 3.58 2.15 0.62 -4.79 116.67 125.31 1c54 s ASP 93 Ca 0.00 -2.54 0.05 0.00 0.43 0.00 0.00 52.55 50.49 1c54 s ASP 93 Cb -0.13 -2.13 0.68 0.00 -0.30 0.00 0.00 42.92 41.04 1c54 s ASP 93 CO 0.01 -0.59 1.90 1.56 -0.17 0.00 0.00 175.17 177.89 1c54 h GLN 94 N 7.85 0.82 -0.13 4.34 7.50 -1.95 -0.46 115.11 133.08 1c54 h GLN 94 Ca 0.01 -0.05 0.02 0.00 0.50 0.00 0.00 58.65 59.13 1c54 h GLN 94 Cb 1.04 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 28.36 1c54 h GLN 94 CO 0.79 0.54 -0.00 0.00 -1.50 0.00 0.00 178.83 178.66 1c54 h THR 95 N 0.85 0.91 -0.01 -0.54 1.03 -1.98 -3.43 112.91 109.74 1c54 h THR 95 Ca 0.41 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.79 1c54 h THR 95 Cb 0.43 0.86 0.00 0.00 -1.07 0.00 0.00 68.15 68.37 1c54 h THR 95 CO -0.17 0.01 0.00 0.00 -0.01 0.00 0.00 175.52 175.35