#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 1.76 2.12 0.31 -1.20 -4.85 118.33 118.47 1c54 n VAL 2 Ca 0.00 -0.50 0.06 0.00 -0.01 0.00 0.00 64.34 63.89 1c54 n VAL 2 Cb 0.00 -0.76 0.35 0.00 -0.91 0.00 0.00 33.84 32.51 1c54 n VAL 2 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1c54 n SER 3 N 1.37 0.00 0.00 4.52 7.64 -1.15 -4.94 113.62 121.06 1c54 n SER 3 Ca 0.11 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.60 1c54 n SER 3 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1c54 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c54 n GLY 4 N 0.54 2.90 3.94 0.23 0.00 -1.26 -5.07 105.19 106.47 1c54 n GLY 4 Ca 0.09 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.04 2.28 -0.13 2.61 2.01 -1.26 -2.45 115.64 116.66 1c54 s THR 5 Ca 0.00 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 1c54 s THR 5 Cb 0.00 -2.95 0.05 0.00 0.01 0.00 0.00 72.50 69.61 1c54 s THR 5 CO 0.00 0.00 0.06 0.54 -0.69 0.00 0.00 174.62 174.53 1c54 s VAL 6 N -3.23 0.11 -0.05 3.82 0.11 0.29 -4.75 120.40 116.70 1c54 s VAL 6 Ca 0.62 -0.09 -0.37 0.00 -2.93 0.00 0.00 61.98 59.21 1c54 s VAL 6 Cb -0.10 -0.58 -0.15 0.00 -1.53 0.00 0.00 36.38 34.02 1c54 s VAL 6 CO 0.45 -0.09 1.61 0.00 -3.33 0.00 0.00 175.10 173.73 1c54 h LEU 8 N 6.52 0.62 -1.51 0.00 6.46 -1.61 0.16 115.31 125.96 1c54 h LEU 8 Ca -0.47 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.28 1c54 h LEU 8 Cb 1.30 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 1c54 h LEU 8 CO 0.89 0.31 -0.25 -1.28 -0.62 0.00 0.00 178.44 177.48 1c54 h SER 9 N 0.66 0.00 1.57 1.25 0.87 -1.82 -1.34 113.55 114.74 1c54 h SER 9 Ca 0.45 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.96 1c54 h SER 9 Cb 0.77 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 1c54 h SER 9 CO -0.20 0.25 -0.26 0.00 -0.53 0.00 0.00 176.83 176.09 1c54 h ALA 10 N 1.75 0.86 -2.45 6.23 0.00 -1.32 -3.46 119.26 120.87 1c54 h ALA 10 Ca -0.00 -0.23 -0.49 0.00 0.00 0.00 0.00 54.91 54.18 1c54 h ALA 10 Cb 0.48 -0.04 0.07 0.00 0.00 0.00 0.00 17.79 18.30 1c54 h ALA 10 CO 0.03 0.32 0.39 -0.51 0.00 0.00 0.00 179.25 179.48 1c54 s LEU 11 N -6.40 2.97 1.17 0.00 1.43 -0.37 -5.00 118.68 112.47 1c54 s LEU 11 Ca 0.04 1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 54.09 1c54 s LEU 11 Cb 0.07 -3.93 0.27 0.00 0.03 0.00 0.00 46.19 42.63 1c54 s LEU 11 CO 0.69 -1.27 1.06 -2.16 0.23 0.00 0.00 176.35 174.91 1c54 s PRO 12 N -5.30 -0.96 -0.04 1.29 0.04 -1.26 -4.96 135.00 123.81 1c54 s PRO 12 Ca 0.57 0.29 -0.23 0.00 0.04 0.00 0.00 61.00 61.68 1c54 s PRO 12 Cb -0.11 -1.59 -0.17 0.00 0.04 0.00 0.00 34.50 32.67 1c54 s PRO 12 CO 0.51 -3.61 0.99 -1.00 0.04 0.00 0.00 177.00 173.93 1c54 h PRO 13 N -2.52 -0.20 0.00 0.56 0.13 -1.97 -2.99 132.00 125.01 1c54 h PRO 13 Ca -0.51 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1c54 h PRO 13 Cb 1.32 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1c54 h PRO 13 CO 0.44 0.24 0.00 -0.85 -0.23 0.00 0.00 178.00 177.60 1c54 n GLU 14 N -4.93 0.07 -0.31 0.86 -0.00 -1.26 -2.09 120.64 112.98 1c54 n GLU 14 Ca -0.08 0.57 0.01 0.00 -0.00 0.00 0.00 57.16 57.65 1c54 n GLU 14 Cb 0.27 -1.74 0.14 0.00 -0.00 0.00 0.00 31.44 30.11 1c54 n GLU 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1c54 h ALA 15 N 2.01 1.17 0.00 -1.84 0.00 -1.79 -0.97 119.26 117.83 1c54 h ALA 15 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1c54 h ALA 15 Cb 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1c54 h ALA 15 CO 0.00 0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.45 1c54 h THR 16 N 0.96 0.31 0.37 0.00 1.03 -1.57 -3.14 112.91 110.86 1c54 h THR 16 Ca 0.37 -0.42 -0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1c54 h THR 16 Cb 0.17 1.31 -0.03 0.00 -1.07 0.00 0.00 68.15 68.54 1c54 h THR 16 CO -0.17 0.07 -0.43 -0.78 -0.01 0.00 0.00 175.52 174.20 1c54 h ASP 17 N 0.00 -1.18 -0.47 0.00 3.58 -1.32 0.60 116.42 117.63 1c54 h ASP 17 Ca -0.00 0.10 0.07 0.00 0.42 0.00 0.00 57.03 57.63 1c54 h ASP 17 Cb 0.31 0.40 -0.06 0.00 1.72 0.00 0.00 39.33 41.70 1c54 h ASP 17 CO 0.01 -0.56 0.12 0.74 -2.88 0.00 0.00 179.24 176.67 1c54 h THR 18 N -0.83 0.78 -0.89 2.25 2.02 -1.63 0.95 112.91 115.56 1c54 h THR 18 Ca -0.03 -0.09 0.14 0.00 0.77 0.00 0.00 66.41 67.20 1c54 h THR 18 Cb 0.75 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.58 1c54 h THR 18 CO -0.10 0.05 0.57 -0.07 0.37 0.00 0.00 175.52 176.34 1c54 h LEU 19 N 0.27 0.65 -0.55 2.58 3.38 -1.55 0.44 115.31 120.52 1c54 h LEU 19 Ca 0.23 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 1c54 h LEU 19 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1c54 h LEU 19 CO -0.28 0.33 -0.39 -1.13 0.09 0.00 0.00 178.44 177.06 1c54 h ASN 20 N 0.68 0.79 0.37 -0.43 -0.73 0.95 0.72 115.58 117.93 1c54 h ASN 20 Ca 0.45 -0.35 -0.15 0.00 1.87 0.00 0.00 56.30 58.11 1c54 h ASN 20 Cb 0.72 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1c54 h ASN 20 CO -0.20 1.08 -0.64 -0.07 -0.37 0.00 0.00 177.43 177.23 1c54 h LEU 21 N 0.61 0.29 -0.39 0.34 3.38 0.16 0.77 115.31 120.47 1c54 h LEU 21 Ca 0.05 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1c54 h LEU 21 Cb 0.93 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1c54 h LEU 21 CO 0.09 0.86 -0.25 0.40 0.09 0.00 0.00 178.44 179.62 1c54 h ILE 22 N 0.18 1.28 -0.19 1.22 5.03 -0.01 0.40 117.51 125.42 1c54 h ILE 22 Ca -0.01 -1.41 -0.12 0.00 -0.12 0.00 0.00 64.86 63.19 1c54 h ILE 22 Cb 1.17 1.34 0.00 0.00 -3.03 0.00 0.00 36.82 36.29 1c54 h ILE 22 CO 0.10 0.47 -0.37 0.00 -0.68 0.00 0.00 178.15 177.68 1c54 h ALA 23 N 0.79 0.30 -0.21 1.87 0.00 -0.61 -3.13 119.26 118.29 1c54 h ALA 23 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1c54 h ALA 23 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1c54 h ALA 23 CO 0.07 0.38 0.00 0.45 0.00 0.00 0.00 179.25 180.15 1c54 n SER 24 N -4.28 1.82 -4.27 0.00 2.88 0.27 -4.93 113.62 105.10 1c54 n SER 24 Ca -0.06 -1.76 -0.30 0.00 -1.33 0.00 0.00 58.87 55.41 1c54 n SER 24 Cb 0.51 -0.13 -0.09 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.43 0.72 0.00 -3.46 -0.08 -0.01 -4.53 116.55 109.63 1c54 n ASP 25 Ca 0.16 -1.24 0.00 0.00 -1.51 0.00 0.00 54.79 52.20 1c54 n ASP 25 Cb 0.35 -1.79 0.00 0.00 2.34 0.00 0.00 41.12 42.01 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 -2.47 -1.80 3.77 0.27 0.00 0.12 -4.87 105.19 100.21 1c54 n GLY 26 Ca -0.32 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 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 4.43 -0.25 1.61 0.04 -1.26 -4.82 135.00 134.74 1c54 s PRO 27 Ca 0.00 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1c54 s PRO 27 Cb 0.00 -2.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 1c54 s PRO 27 CO 0.00 0.06 0.20 -0.06 0.04 0.00 0.00 177.00 177.24 1c54 s PHE 28 N -1.40 3.29 -0.06 0.56 0.40 -1.26 -4.99 117.98 114.52 1c54 s PHE 28 Ca 0.51 0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 56.91 1c54 s PHE 28 Cb -0.27 -2.34 -0.12 0.00 0.51 0.00 0.00 43.02 40.80 1c54 s PHE 28 CO 0.34 -0.02 0.67 -1.00 0.70 0.00 0.00 175.22 175.91 1c54 h PRO 29 N 7.79 -0.27 0.00 0.24 0.13 -2.01 -3.44 132.00 134.45 1c54 h PRO 29 Ca -0.37 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 1c54 h PRO 29 Cb 1.17 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1c54 h PRO 29 CO 0.63 0.05 -0.09 2.48 -0.23 0.00 0.00 178.00 180.83 1c54 n TYR 30 N -4.96 0.00 -0.58 1.56 4.11 -1.26 -4.99 117.16 111.04 1c54 n TYR 30 Ca -0.06 -0.10 -0.04 0.00 -0.00 0.00 0.00 57.90 57.70 1c54 n TYR 30 Cb 0.22 0.28 -0.05 0.00 -0.00 0.00 0.00 39.34 39.79 1c54 n TYR 30 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1c54 n SER 31 N 0.01 4.51 -3.16 9.48 3.41 -1.26 -4.73 113.62 121.88 1c54 n SER 31 Ca -0.05 -2.25 -0.00 0.00 -0.26 0.00 0.00 58.87 56.31 1c54 n SER 31 Cb 0.56 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1c54 n SER 31 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1c54 n GLN 32 N 1.95 -0.57 -3.31 4.33 7.27 -1.26 -0.89 117.38 124.90 1c54 n GLN 32 Ca 0.13 -0.28 -0.21 0.00 0.07 0.00 0.00 57.00 56.72 1c54 n GLN 32 Cb 0.56 0.48 0.02 0.00 2.41 0.00 0.00 30.24 33.71 1c54 n GLN 32 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1c54 s ASP 33 N -3.58 5.10 -1.20 1.69 -4.77 -1.25 -2.27 116.67 110.39 1c54 s ASP 33 Ca 0.00 -0.83 -0.04 0.00 -3.30 0.00 0.00 52.55 48.38 1c54 s ASP 33 Cb -0.00 -0.02 0.00 0.00 -1.09 0.00 0.00 42.92 41.81 1c54 s ASP 33 CO 0.01 -1.05 1.03 0.61 0.70 0.00 0.00 175.17 176.46 1c54 n GLY 34 N -1.94 -0.38 3.02 2.12 0.00 -1.26 -5.01 105.19 101.74 1c54 n GLY 34 Ca 0.08 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.32 0.07 0.32 1.61 -7.23 -1.26 -5.06 120.40 105.53 1c54 s VAL 35 Ca 0.28 -0.57 -0.06 0.00 -1.81 0.00 0.00 61.98 59.82 1c54 s VAL 35 Cb -0.12 -0.28 -0.05 0.00 0.56 0.00 0.00 36.38 36.48 1c54 s VAL 35 CO 0.68 -0.31 0.61 -0.69 -0.31 0.00 0.00 175.10 175.08 1c54 s VAL 36 N -1.00 4.97 -0.36 1.32 1.01 -1.26 -1.27 120.40 123.80 1c54 s VAL 36 Ca -0.11 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1c54 s VAL 36 Cb -0.06 -3.74 0.13 0.00 0.00 0.00 0.00 36.38 32.71 1c54 s VAL 36 CO 0.00 -0.38 0.20 0.12 0.00 0.00 0.00 175.10 175.04 1c54 s PHE 37 N -2.17 0.91 -0.11 5.22 5.36 0.13 -4.65 117.98 122.67 1c54 s PHE 37 Ca 0.46 -1.66 -0.03 0.00 -0.96 0.00 0.00 56.93 54.73 1c54 s PHE 37 Cb -0.11 -1.10 -0.13 0.00 -0.34 0.00 0.00 43.02 41.35 1c54 s PHE 37 CO 0.31 -0.82 2.12 0.94 -1.46 0.00 0.00 175.22 176.30 1c54 n GLN 38 N 4.15 1.17 -3.48 10.12 0.00 -1.26 -4.45 117.38 123.61 1c54 n GLN 38 Ca 0.09 -0.64 -0.16 0.00 -0.00 0.00 0.00 57.00 56.28 1c54 n GLN 38 Cb 0.37 -1.85 -0.03 0.00 0.00 0.00 0.00 30.24 28.73 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 2.94 -0.16 0.26 1.69 6.94 -1.26 -4.67 115.26 121.00 1c54 n ASN 39 Ca 0.25 -0.60 0.17 0.00 -0.02 0.00 0.00 54.58 54.39 1c54 n ASN 39 Cb 0.43 -0.73 0.91 0.00 -2.36 0.00 0.00 39.78 38.03 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 -0.10 0.00 0.00 -3.83 -0.00 -2.00 0.65 114.38 109.10 1c54 h ARG 40 Ca -0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.17 1c54 h ARG 40 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.62 1c54 h ARG 40 CO 0.30 0.00 0.00 0.39 0.00 0.00 0.00 179.97 180.66 1c54 n GLU 41 N -3.63 0.24 -4.10 0.04 1.02 -1.26 -4.91 120.64 108.03 1c54 n GLU 41 Ca -0.01 0.06 -0.35 0.00 -0.02 0.00 0.00 57.16 56.85 1c54 n GLU 41 Cb 0.23 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.36 -3.06 -0.00 1.62 2.88 0.23 -4.79 113.62 109.13 1c54 n SER 42 Ca 0.10 -0.91 0.04 0.00 -1.33 0.00 0.00 58.87 56.76 1c54 n SER 42 Cb 0.23 -2.53 -0.05 0.00 -0.75 0.00 0.00 64.21 61.11 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 -4.20 0.00 -3.86 2.46 0.31 -1.26 -4.81 118.33 106.98 1c54 n VAL 43 Ca 0.07 -0.29 -0.34 0.00 -0.01 0.00 0.00 64.34 63.78 1c54 n VAL 43 Cb 0.49 0.85 -0.05 0.00 -0.91 0.00 0.00 33.84 34.22 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 -2.62 4.37 0.00 7.52 2.01 -1.26 -3.23 118.68 125.47 1c54 s LEU 44 Ca 0.02 0.42 0.00 0.00 0.01 0.00 0.00 54.13 54.58 1c54 s LEU 44 Cb 0.06 -2.61 0.00 0.00 0.01 0.00 0.00 46.19 43.64 1c54 s LEU 44 CO 0.32 0.26 0.00 -0.81 1.01 0.00 0.00 176.35 177.13 1c54 n PRO 45 N 1.04 -0.59 0.00 1.29 -0.04 -1.26 -4.39 135.00 131.05 1c54 n PRO 45 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1c54 n PRO 45 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -2.02 0.00 0.00 0.52 -1.04 -1.26 -4.67 114.28 105.81 1c54 n THR 46 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1c54 n THR 46 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.00 0.00 -1.09 -2.82 7.27 -1.26 -5.03 117.38 114.44 1c54 n GLN 47 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 1c54 n GLN 47 Cb 0.00 -0.11 0.07 0.00 2.41 0.00 0.00 30.24 32.61 1c54 n GLN 47 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1c54 n SER 48 N 0.08 -2.57 -4.74 1.69 3.41 -1.26 -4.87 113.62 105.36 1c54 n SER 48 Ca 0.00 0.46 -0.35 0.00 -0.26 0.00 0.00 58.87 58.71 1c54 n SER 48 Cb 0.00 -1.09 -0.08 0.00 -0.26 0.00 0.00 64.21 62.78 1c54 n SER 48 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1c54 s TYR 49 N -2.06 3.39 0.00 7.33 5.04 -1.26 -4.35 117.35 125.44 1c54 s TYR 49 Ca 0.58 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 1c54 s TYR 49 Cb -0.30 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 39.98 1c54 s TYR 49 CO 0.66 0.40 0.00 0.41 -1.34 0.00 0.00 175.55 175.68 1c54 n GLY 50 N 2.92 2.95 0.33 8.97 0.00 -1.26 -4.81 105.19 114.29 1c54 n GLY 50 Ca -0.18 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.06 1c54 n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1c54 h TYR 51 N 0.00 0.00 -3.12 1.61 3.20 -1.93 -3.42 116.97 113.31 1c54 h TYR 51 Ca 0.00 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 61.23 1c54 h TYR 51 Cb 0.00 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 1c54 h TYR 51 CO 0.00 0.00 -0.58 0.71 -1.64 0.00 0.00 178.16 176.65 1c54 s TYR 52 N -4.17 3.27 0.02 -3.82 2.02 -1.26 -2.11 117.35 111.30 1c54 s TYR 52 Ca -0.05 0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.70 1c54 s TYR 52 Cb 0.13 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1c54 s TYR 52 CO 0.43 0.54 0.22 -1.01 -1.57 0.00 0.00 175.55 174.16 1c54 s HIS 53 N -1.30 -0.02 -0.04 2.71 3.76 -0.88 -0.69 115.29 118.83 1c54 s HIS 53 Ca 0.27 -0.11 -0.01 0.00 -0.15 0.00 0.00 55.06 55.06 1c54 s HIS 53 Cb -0.12 0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.54 1c54 s HIS 53 CO 0.19 -0.40 0.05 -1.21 -0.85 0.00 0.00 174.74 172.51 1c54 s GLU 54 N -2.07 3.03 -0.43 1.40 2.02 -0.40 -1.87 118.70 120.37 1c54 s GLU 54 Ca -0.09 -0.45 0.08 0.00 0.02 0.00 0.00 54.97 54.53 1c54 s GLU 54 Cb -0.03 -2.84 0.29 0.00 0.10 0.00 0.00 34.13 31.65 1c54 s GLU 54 CO -0.01 0.67 0.80 0.66 0.02 0.00 0.00 175.26 177.40 1c54 n TYR 55 N 1.60 -1.61 -1.05 1.61 4.01 0.64 -3.87 117.16 118.49 1c54 n TYR 55 Ca -0.16 -2.81 -0.41 0.00 -0.16 0.00 0.00 57.90 54.36 1c54 n TYR 55 Cb 0.53 0.59 -0.06 0.00 -0.31 0.00 0.00 39.34 40.10 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 0.99 0.00 -2.89 -0.72 -1.04 -0.07 -3.59 114.28 106.96 1c54 n THR 56 Ca 0.15 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.73 1c54 n THR 56 Cb 0.62 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.10 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 -0.00 4.43 -0.02 12.58 0.11 -1.26 -4.35 120.40 131.88 1c54 s VAL 57 Ca 0.64 -0.59 -0.12 0.00 -2.93 0.00 0.00 61.98 58.98 1c54 s VAL 57 Cb -0.89 -4.68 -0.06 0.00 -1.53 0.00 0.00 36.38 29.23 1c54 s VAL 57 CO 0.40 -1.43 0.33 -0.38 -3.33 0.00 0.00 175.10 170.69 1c54 n ILE 58 N 5.83 0.00 -4.70 7.04 -0.00 -1.26 -4.78 119.36 121.49 1c54 n ILE 58 Ca -0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 62.75 62.50 1c54 n ILE 58 Cb 0.46 -0.02 -0.15 0.00 -0.00 0.00 0.00 39.64 39.92 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 0.14 1.36 0.47 1.39 2.01 -1.26 -4.67 115.64 115.07 1c54 s THR 59 Ca 0.27 -0.85 -0.22 0.00 0.31 0.00 0.00 61.69 61.20 1c54 s THR 59 Cb -0.38 -1.15 -0.08 0.00 0.01 0.00 0.00 72.50 70.90 1c54 s THR 59 CO 0.18 0.29 1.09 -2.16 -0.69 0.00 0.00 174.62 173.33 1c54 s PRO 60 N -0.65 3.79 -1.35 4.92 0.04 -1.26 -3.28 135.00 137.22 1c54 s PRO 60 Ca 0.06 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1c54 s PRO 60 Cb -0.07 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1c54 s PRO 60 CO 0.00 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1c54 n GLY 61 N 0.16 0.80 3.41 0.56 0.00 -1.26 -4.87 105.19 103.99 1c54 n GLY 61 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.28 3.61 0.47 4.61 0.00 -1.20 -4.87 121.76 122.10 1c54 s ALA 62 Ca 0.00 -2.92 0.38 0.00 0.00 0.00 0.00 51.96 49.42 1c54 s ALA 62 Cb 0.00 -3.84 1.53 0.00 0.00 0.00 0.00 23.12 20.81 1c54 s ALA 62 CO 0.00 -2.70 1.50 0.54 0.00 0.00 0.00 175.76 175.10 1c54 n ARG 63 N 5.66 -0.02 0.00 0.00 1.74 -1.26 -4.65 116.66 118.13 1c54 n ARG 63 Ca 0.18 1.14 0.00 0.00 -0.77 0.00 0.00 57.85 58.41 1c54 n ARG 63 Cb 0.48 -2.39 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 1c54 n ARG 63 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1c54 n THR 64 N -4.33 0.00 0.68 0.55 -2.24 -1.26 -5.02 114.28 102.66 1c54 n THR 64 Ca 0.41 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.32 1c54 n THR 64 Cb 1.69 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 70.36 1c54 n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1c54 n ARG 65 N 0.00 0.22 -1.00 -0.78 1.74 -1.26 -4.86 116.66 110.72 1c54 n ARG 65 Ca 0.00 0.19 0.14 0.00 -0.77 0.00 0.00 57.85 57.40 1c54 n ARG 65 Cb 0.00 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 29.65 1c54 n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c54 n GLY 66 N 1.30 -1.46 0.27 -0.13 0.00 -1.26 -4.24 105.19 99.66 1c54 n GLY 66 Ca 0.06 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.92 1.25 -1.33 2.61 1.35 -1.93 -3.45 112.91 110.48 1c54 h THR 67 Ca 0.02 -1.14 -0.76 0.00 -0.55 0.00 0.00 66.41 63.98 1c54 h THR 67 Cb 0.91 1.09 0.03 0.00 -1.73 0.00 0.00 68.15 68.45 1c54 h THR 67 CO 0.01 0.38 0.51 0.54 -0.25 0.00 0.00 175.52 176.71 1c54 n ARG 68 N -4.17 0.62 -3.66 4.72 1.74 -1.26 -0.65 116.66 114.00 1c54 n ARG 68 Ca 0.01 0.22 -0.13 0.00 -0.77 0.00 0.00 57.85 57.18 1c54 n ARG 68 Cb 0.36 -1.81 -0.08 0.00 -1.02 0.00 0.00 32.46 29.91 1c54 n ARG 68 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1c54 s ARG 69 N 1.63 0.71 -0.07 5.56 1.81 -1.26 -4.23 118.95 123.09 1c54 s ARG 69 Ca 0.94 0.86 0.03 0.00 -1.72 0.00 0.00 55.73 55.84 1c54 s ARG 69 Cb -1.18 0.34 -0.02 0.00 -0.45 0.00 0.00 34.95 33.64 1c54 s ARG 69 CO 0.61 -0.09 -0.15 0.42 -0.68 0.00 0.00 175.30 175.41 1c54 s ILE 70 N 0.37 2.95 -0.27 1.52 1.01 -1.24 -2.15 121.20 123.40 1c54 s ILE 70 Ca -0.00 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1c54 s ILE 70 Cb -0.04 -2.17 0.08 0.00 0.01 0.00 0.00 42.46 40.33 1c54 s ILE 70 CO 0.00 0.57 -0.01 -0.63 0.00 0.00 0.00 174.94 174.87 1c54 s ILE 71 N -0.34 1.65 0.30 2.92 -1.09 0.37 -0.26 121.20 124.75 1c54 s ILE 71 Ca 0.03 -1.54 0.05 0.00 -2.23 0.00 0.00 60.65 56.96 1c54 s ILE 71 Cb -0.13 -2.02 -0.02 0.00 -1.58 0.00 0.00 42.46 38.72 1c54 s ILE 71 CO 0.02 -0.30 0.44 0.42 -1.23 0.00 0.00 174.94 174.29 1c54 s THR 72 N 1.29 4.55 0.37 2.92 -4.23 -0.78 0.80 115.64 120.55 1c54 s THR 72 Ca 0.00 -0.95 0.08 0.00 -1.18 0.00 0.00 61.69 59.64 1c54 s THR 72 Cb -0.19 -3.60 -0.07 0.00 1.34 0.00 0.00 72.50 69.99 1c54 s THR 72 CO -0.10 -0.24 -0.01 -0.83 -0.54 0.00 0.00 174.62 172.91 1c54 s GLY 73 N -4.10 2.28 0.63 3.99 0.00 -0.88 -2.08 107.32 107.17 1c54 s GLY 73 Ca 0.41 -2.13 0.32 0.00 0.00 0.00 0.00 44.72 43.32 1c54 s GLY 73 CO 0.31 -2.01 2.07 -2.09 0.00 0.00 0.00 173.10 171.38 1c54 h GLU 74 N 1.83 0.00 -6.06 2.90 4.81 -1.79 -3.39 114.58 112.88 1c54 h GLU 74 Ca -0.43 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.24 1c54 h GLU 74 Cb 1.25 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.58 1c54 h GLU 74 CO 0.73 0.00 0.13 0.00 -0.73 0.00 0.00 179.01 179.14 1c54 s ALA 75 N -4.36 3.33 0.53 2.92 0.00 -1.26 -5.05 121.76 117.87 1c54 s ALA 75 Ca -0.04 0.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.86 1c54 s ALA 75 Cb 0.13 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 1c54 s ALA 75 CO 0.43 -0.16 1.29 0.99 0.00 0.00 0.00 175.76 178.32 1c54 s THR 76 N 0.92 2.39 -1.04 0.00 2.01 -1.26 -3.62 115.64 115.03 1c54 s THR 76 Ca 0.39 0.29 -0.00 0.00 0.31 0.00 0.00 61.69 62.67 1c54 s THR 76 Cb -0.18 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1c54 s THR 76 CO 0.19 -0.01 0.87 0.00 -0.69 0.00 0.00 174.62 174.97 1c54 n GLN 77 N -0.97 -5.75 -3.06 4.92 6.02 -1.26 -4.98 117.38 112.30 1c54 n GLN 77 Ca 0.10 0.74 -0.16 0.00 -0.01 0.00 0.00 57.00 57.67 1c54 n GLN 77 Cb 0.46 -5.42 0.00 0.00 1.02 0.00 0.00 30.24 26.31 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 -3.72 0.96 -3.75 -1.09 1.02 -1.24 -4.83 120.64 107.99 1c54 n GLU 78 Ca -0.25 -2.93 -0.36 0.00 -0.02 0.00 0.00 57.16 53.59 1c54 n GLU 78 Cb 0.65 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.46 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 -2.01 5.12 -0.16 1.62 2.15 -1.26 -2.07 116.67 120.08 1c54 s ASP 79 Ca 0.35 -0.23 -0.18 0.00 0.43 0.00 0.00 52.55 52.93 1c54 s ASP 79 Cb 0.32 -1.92 -0.04 0.00 -0.30 0.00 0.00 42.92 40.98 1c54 s ASP 79 CO -0.08 -0.04 0.46 -0.31 -0.17 0.00 0.00 175.17 175.03 1c54 s TYR 80 N 1.61 3.45 -0.19 -5.34 2.02 0.24 -1.37 117.35 117.77 1c54 s TYR 80 Ca 0.06 0.79 -0.05 0.00 -0.37 0.00 0.00 57.07 57.50 1c54 s TYR 80 Cb -0.15 -2.56 -0.03 0.00 -0.40 0.00 0.00 41.96 38.82 1c54 s TYR 80 CO 0.03 0.07 0.01 -0.47 -1.57 0.00 0.00 175.55 173.63 1c54 s TYR 81 N 0.98 3.08 -0.04 2.71 6.14 -0.51 -0.48 117.35 129.24 1c54 s TYR 81 Ca 0.24 -0.30 -0.02 0.00 0.64 0.00 0.00 57.07 57.62 1c54 s TYR 81 Cb -0.15 -2.07 -0.01 0.00 0.42 0.00 0.00 41.96 40.16 1c54 s TYR 81 CO 0.09 -0.12 -0.05 0.00 0.64 0.00 0.00 175.55 176.12 1c54 h THR 82 N 5.23 0.00 -1.15 4.34 1.03 -1.46 -1.34 112.91 119.56 1c54 h THR 82 Ca -0.35 -0.28 -0.39 0.00 -0.01 0.00 0.00 66.41 65.39 1c54 h THR 82 Cb 1.18 0.00 -0.13 0.00 -1.07 0.00 0.00 68.15 68.13 1c54 h THR 82 CO 0.63 0.00 -0.37 0.61 -0.01 0.00 0.00 175.52 176.38 1c54 n GLY 83 N 1.72 1.52 0.50 2.99 0.00 -1.26 -4.47 105.19 106.20 1c54 n GLY 83 Ca -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.13 0.00 -2.95 1.61 8.00 -1.24 -4.54 116.55 116.30 1c54 n ASP 84 Ca -0.19 -1.63 -0.13 0.00 0.71 0.00 0.00 54.79 53.55 1c54 n ASP 84 Cb 0.63 -0.13 0.01 0.00 -0.02 0.00 0.00 41.12 41.62 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 0.00 -3.37 -3.84 1.24 -0.00 0.18 -3.84 115.22 105.59 1c54 n HIS 85 Ca -0.00 1.37 -0.28 0.00 0.46 0.00 0.00 57.72 59.27 1c54 n HIS 85 Cb 0.63 -3.71 0.01 0.00 -0.12 0.00 0.00 29.99 26.79 1c54 n HIS 85 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1c54 n TYR 86 N -0.24 -1.75 0.00 1.57 4.01 -1.26 -4.89 117.16 114.60 1c54 n TYR 86 Ca 0.08 0.61 0.00 0.00 -0.16 0.00 0.00 57.90 58.43 1c54 n TYR 86 Cb 0.48 -3.62 0.00 0.00 -0.31 0.00 0.00 39.34 35.89 1c54 n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1c54 n ALA 87 N -4.34 1.97 -2.19 -0.72 0.00 -1.25 -5.04 120.51 108.94 1c54 n ALA 87 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 1c54 n ALA 87 Cb 0.64 0.31 -0.10 0.00 0.00 0.00 0.00 19.45 20.30 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 -1.96 0.07 -0.26 0.00 -4.23 -1.26 -5.06 115.64 102.93 1c54 s THR 88 Ca 0.00 -1.92 -0.07 0.00 -1.18 0.00 0.00 61.69 58.52 1c54 s THR 88 Cb 0.00 -2.16 0.12 0.00 1.34 0.00 0.00 72.50 71.80 1c54 s THR 88 CO 0.00 -0.33 0.55 -0.36 -0.54 0.00 0.00 174.62 173.94 1c54 s PHE 89 N -4.08 -1.16 -0.20 3.99 0.08 -1.19 -3.47 117.98 111.96 1c54 s PHE 89 Ca 0.28 1.88 -0.05 0.00 0.12 0.00 0.00 56.93 59.17 1c54 s PHE 89 Cb 0.07 0.55 0.07 0.00 -0.57 0.00 0.00 43.02 43.14 1c54 s PHE 89 CO 0.05 -0.63 0.09 -1.12 -0.10 0.00 0.00 175.22 173.50 1c54 s SER 90 N 2.77 2.66 0.96 1.36 0.01 -0.51 -2.95 113.70 118.00 1c54 s SER 90 Ca -0.00 -0.78 -0.17 0.00 1.31 0.00 0.00 55.95 56.31 1c54 s SER 90 Cb -0.13 -0.30 -0.14 0.00 0.21 0.00 0.00 66.02 65.66 1c54 s SER 90 CO -0.17 -0.37 -0.68 0.18 0.41 0.00 0.00 173.24 172.62 1c54 n LEU 91 N 5.25 -5.48 -4.49 2.44 4.77 -1.03 -1.43 117.00 117.03 1c54 n LEU 91 Ca -0.07 0.22 -0.34 0.00 -0.03 0.00 0.00 56.01 55.80 1c54 n LEU 91 Cb 0.47 -0.80 -0.12 0.00 -2.33 0.00 0.00 43.42 40.64 1c54 n LEU 91 CO 0.09 -5.80 -0.34 -0.63 -1.33 0.00 0.00 177.39 169.38 1c54 s ILE 92 N -2.02 3.95 -0.58 -0.08 1.09 -0.47 0.10 121.20 123.20 1c54 s ILE 92 Ca 0.42 -0.33 -0.08 0.00 -1.10 0.00 0.00 60.65 59.56 1c54 s ILE 92 Cb -0.20 -2.75 0.15 0.00 -1.06 0.00 0.00 42.46 38.60 1c54 s ILE 92 CO 0.81 0.48 0.44 -0.62 -0.10 0.00 0.00 174.94 175.95 1c54 s ASP 93 N 0.50 5.76 0.36 3.58 2.15 -0.22 -4.79 116.67 124.01 1c54 s ASP 93 Ca -0.02 -2.32 0.08 0.00 0.43 0.00 0.00 52.55 50.71 1c54 s ASP 93 Cb -0.14 -2.00 0.78 0.00 -0.30 0.00 0.00 42.92 41.26 1c54 s ASP 93 CO 0.02 -0.58 1.90 1.56 -0.17 0.00 0.00 175.17 177.91 1c54 h GLN 94 N 7.92 0.70 -0.29 4.34 7.50 -1.96 -1.52 115.11 131.80 1c54 h GLN 94 Ca -0.10 -0.04 0.04 0.00 0.50 0.00 0.00 58.65 59.05 1c54 h GLN 94 Cb 1.03 -0.16 -0.04 0.00 0.05 0.00 0.00 27.48 28.37 1c54 h GLN 94 CO 0.80 0.46 0.05 0.00 -1.50 0.00 0.00 178.83 178.64 1c54 h THR 95 N 0.72 0.86 -0.01 -0.54 1.03 -1.98 -3.43 112.91 109.56 1c54 h THR 95 Ca 0.39 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.74 1c54 h THR 95 Cb 0.53 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.30 1c54 h THR 95 CO -0.16 0.03 0.00 0.00 -0.01 0.00 0.00 175.52 175.38