#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 1.69 1.55 2.12 0.31 -1.26 -4.82 118.33 117.92 1c54 n VAL 2 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1c54 n VAL 2 Cb 0.00 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 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 1.90 0.26 0.00 4.52 7.64 -0.69 -4.95 113.62 122.30 1c54 n SER 3 Ca 0.15 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.22 1c54 n SER 3 Cb 0.31 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.30 0.67 3.92 0.23 0.00 -1.26 -5.02 105.19 104.02 1c54 n GLY 4 Ca 0.00 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.09 2.03 -0.19 2.61 2.01 -1.26 -2.11 115.64 117.63 1c54 s THR 5 Ca 0.00 -0.05 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 1c54 s THR 5 Cb 0.00 -2.98 0.08 0.00 0.01 0.00 0.00 72.50 69.61 1c54 s THR 5 CO 0.00 0.00 0.18 0.54 -0.69 0.00 0.00 174.62 174.65 1c54 s VAL 6 N -3.67 -0.25 0.03 3.82 0.11 0.27 -4.71 120.40 115.99 1c54 s VAL 6 Ca 0.67 -0.11 -0.38 0.00 -2.93 0.00 0.00 61.98 59.24 1c54 s VAL 6 Cb -0.08 -0.63 -0.17 0.00 -1.53 0.00 0.00 36.38 33.97 1c54 s VAL 6 CO 0.50 -0.21 1.34 0.00 -3.33 0.00 0.00 175.10 173.40 1c54 h LEU 8 N 4.54 0.33 -1.58 0.00 6.46 -0.45 0.95 115.31 125.56 1c54 h LEU 8 Ca -0.48 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.24 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 0.78 0.20 -0.22 -1.28 -0.62 0.00 0.00 178.44 177.30 1c54 h SER 9 N 0.37 0.00 1.53 1.25 0.87 -1.84 -0.78 113.55 114.95 1c54 h SER 9 Ca 0.26 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1c54 h SER 9 Cb 0.52 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1c54 h SER 9 CO -0.07 0.22 -0.04 0.00 -0.53 0.00 0.00 176.83 176.42 1c54 h ALA 10 N 1.78 0.99 -2.31 6.23 0.00 -1.16 -3.45 119.26 121.33 1c54 h ALA 10 Ca -0.00 -0.03 -0.49 0.00 0.00 0.00 0.00 54.91 54.38 1c54 h ALA 10 Cb 0.47 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.28 1c54 h ALA 10 CO 0.03 0.05 0.14 -0.51 0.00 0.00 0.00 179.25 178.96 1c54 s LEU 11 N -6.25 3.64 0.96 0.00 1.43 -0.30 -5.00 118.68 113.16 1c54 s LEU 11 Ca 0.04 1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 54.05 1c54 s LEU 11 Cb 0.07 -3.98 0.17 0.00 0.03 0.00 0.00 46.19 42.48 1c54 s LEU 11 CO 0.62 -0.56 1.09 -2.16 0.23 0.00 0.00 176.35 175.57 1c54 s PRO 12 N -4.56 0.73 0.23 1.29 0.04 -1.26 -4.93 135.00 126.54 1c54 s PRO 12 Ca 0.49 0.67 0.22 0.00 0.04 0.00 0.00 61.00 62.42 1c54 s PRO 12 Cb -0.10 -1.76 0.94 0.00 0.04 0.00 0.00 34.50 33.61 1c54 s PRO 12 CO 0.42 -2.56 1.66 -0.35 0.04 0.00 0.00 177.00 176.21 1c54 n PRO 13 N -4.08 0.16 0.00 0.56 -0.04 -1.26 -1.74 135.00 128.59 1c54 n PRO 13 Ca 0.06 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 1c54 n PRO 13 Cb 0.56 -1.83 0.24 0.00 -0.04 0.00 0.00 33.50 32.43 1c54 n PRO 13 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1c54 n GLU 14 N -2.14 0.71 0.06 0.54 0.00 -1.26 -3.95 120.64 114.60 1c54 n GLU 14 Ca 0.02 -0.48 -0.21 0.00 0.00 0.00 0.00 57.16 56.49 1c54 n GLU 14 Cb 0.20 -1.49 -0.15 0.00 0.00 0.00 0.00 31.44 30.00 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 3.56 -0.04 -0.08 -1.84 0.00 -1.58 -3.27 119.26 116.01 1c54 h ALA 15 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 54.91 54.10 1c54 h ALA 15 Cb 0.56 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1c54 h ALA 15 CO 0.00 0.57 0.06 0.00 0.00 0.00 0.00 179.25 179.88 1c54 h THR 16 N -0.23 0.86 0.01 0.00 1.03 -1.68 -2.79 112.91 110.11 1c54 h THR 16 Ca -0.21 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 66.22 1c54 h THR 16 Cb 1.80 0.96 -0.06 0.00 -1.07 0.00 0.00 68.15 69.78 1c54 h THR 16 CO 0.16 0.00 -0.45 -0.78 -0.01 0.00 0.00 175.52 174.44 1c54 h ASP 17 N 0.00 -1.38 -0.27 0.00 3.58 -1.69 0.68 116.42 117.34 1c54 h ASP 17 Ca 0.04 0.16 0.05 0.00 0.42 0.00 0.00 57.03 57.70 1c54 h ASP 17 Cb 0.16 0.53 -0.05 0.00 1.72 0.00 0.00 39.33 41.69 1c54 h ASP 17 CO -0.00 -0.48 -0.07 0.74 -2.88 0.00 0.00 179.24 176.55 1c54 h THR 18 N -0.61 0.73 -0.77 2.25 2.02 -1.65 0.15 112.91 115.03 1c54 h THR 18 Ca 0.04 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.34 1c54 h THR 18 Cb 0.68 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 1c54 h THR 18 CO -0.32 0.00 0.51 -0.07 0.37 0.00 0.00 175.52 176.00 1c54 h LEU 19 N -0.00 0.51 -0.33 2.58 3.38 -1.47 0.61 115.31 120.59 1c54 h LEU 19 Ca 0.13 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 1c54 h LEU 19 Cb 0.20 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1c54 h LEU 19 CO -0.28 0.28 -0.55 -1.13 0.09 0.00 0.00 178.44 176.85 1c54 h ASN 20 N 0.55 0.93 0.28 -0.43 -0.73 0.89 0.14 115.58 117.21 1c54 h ASN 20 Ca 0.37 -0.50 -0.12 0.00 1.87 0.00 0.00 56.30 57.92 1c54 h ASN 20 Cb 0.68 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 1c54 h ASN 20 CO -0.14 1.29 -0.49 -0.07 -0.37 0.00 0.00 177.43 177.66 1c54 h LEU 21 N 0.64 0.27 -0.30 0.34 3.38 0.13 0.77 115.31 120.55 1c54 h LEU 21 Ca 0.01 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.66 1c54 h LEU 21 Cb 1.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1c54 h LEU 21 CO 0.12 0.72 -0.69 0.40 0.09 0.00 0.00 178.44 179.08 1c54 h ILE 22 N 0.20 1.31 -0.13 1.22 2.04 0.37 0.61 117.51 123.12 1c54 h ILE 22 Ca 0.01 -1.94 -0.16 0.00 1.00 0.00 0.00 64.86 63.77 1c54 h ILE 22 Cb 0.94 1.91 0.01 0.00 -0.74 0.00 0.00 36.82 38.94 1c54 h ILE 22 CO 0.08 0.61 -0.55 0.00 0.00 0.00 0.00 178.15 178.28 1c54 h ALA 23 N 0.73 0.24 -0.44 1.87 0.00 -0.48 -3.17 119.26 118.01 1c54 h ALA 23 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1c54 h ALA 23 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1c54 h ALA 23 CO 0.14 0.46 0.00 0.45 0.00 0.00 0.00 179.25 180.29 1c54 n SER 24 N -4.16 2.59 -4.30 0.00 2.88 0.27 -4.94 113.62 105.95 1c54 n SER 24 Ca -0.08 -1.96 -0.31 0.00 -1.33 0.00 0.00 58.87 55.20 1c54 n SER 24 Cb 0.63 -0.29 -0.10 0.00 -0.75 0.00 0.00 64.21 63.70 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 0.91 0.94 0.00 -3.46 2.03 0.01 -4.53 116.55 112.46 1c54 n ASP 25 Ca 0.17 -1.27 0.00 0.00 0.52 0.00 0.00 54.79 54.21 1c54 n ASP 25 Cb 0.42 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 1c54 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c54 n GLY 26 N -2.57 -1.87 3.76 0.27 0.00 0.19 -4.89 105.19 100.09 1c54 n GLY 26 Ca -0.32 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 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 4.59 -0.06 1.61 0.04 -1.26 -4.83 135.00 135.09 1c54 s PRO 27 Ca 0.00 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.53 1c54 s PRO 27 Cb 0.00 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 1c54 s PRO 27 CO 0.00 0.21 0.38 -0.06 0.04 0.00 0.00 177.00 177.58 1c54 s PHE 28 N -1.31 3.63 -0.05 0.56 0.40 -1.26 -4.94 117.98 115.02 1c54 s PHE 28 Ca 0.47 0.87 -0.07 0.00 -0.60 0.00 0.00 56.93 57.61 1c54 s PHE 28 Cb -0.27 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 40.90 1c54 s PHE 28 CO 0.35 0.49 0.31 -1.00 0.70 0.00 0.00 175.22 176.07 1c54 h PRO 29 N 5.44 -0.23 -7.23 0.24 0.13 -1.98 -3.46 132.00 124.91 1c54 h PRO 29 Ca -0.48 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.14 1c54 h PRO 29 Cb 1.20 0.05 0.20 0.00 0.13 0.00 0.00 31.00 32.58 1c54 h PRO 29 CO 0.66 -0.15 0.21 0.66 -0.23 0.00 0.00 178.00 179.15 1c54 n TYR 30 N -4.39 0.86 0.42 1.56 4.02 -1.26 -4.92 117.16 113.46 1c54 n TYR 30 Ca -0.03 0.39 0.13 0.00 -0.01 0.00 0.00 57.90 58.38 1c54 n TYR 30 Cb 0.09 -2.02 0.49 0.00 -0.02 0.00 0.00 39.34 37.89 1c54 n TYR 30 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1c54 h SER 31 N -1.62 0.00 -2.47 7.72 0.02 -1.97 -3.42 113.55 111.82 1c54 h SER 31 Ca -0.44 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.86 1c54 h SER 31 Cb 1.28 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.66 1c54 h SER 31 CO 0.42 0.00 0.71 -1.58 -1.14 0.00 0.00 176.83 175.24 1c54 s GLN 32 N -3.32 3.33 0.00 3.45 0.74 -1.26 -4.88 119.66 117.73 1c54 s GLN 32 Ca 0.05 -1.23 0.00 0.00 0.05 0.00 0.00 55.36 54.23 1c54 s GLN 32 Cb 0.10 -4.57 0.00 0.00 1.10 0.00 0.00 33.01 29.63 1c54 s GLN 32 CO 0.44 -1.82 0.00 -0.40 -0.55 0.00 0.00 175.29 172.96 1c54 n ASP 33 N 7.30 0.00 -0.27 6.67 5.68 -1.24 -3.52 116.55 131.16 1c54 n ASP 33 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 1c54 n ASP 33 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1c54 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c54 n GLY 34 N -0.41 0.97 3.06 6.12 0.00 -1.25 -5.06 105.19 108.62 1c54 n GLY 34 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.54 0.59 0.41 1.61 -7.23 -1.26 -5.06 120.40 106.91 1c54 s VAL 35 Ca 0.00 -1.01 -0.11 0.00 -1.81 0.00 0.00 61.98 59.05 1c54 s VAL 35 Cb 0.00 -0.63 -0.06 0.00 0.56 0.00 0.00 36.38 36.24 1c54 s VAL 35 CO 0.00 -0.31 0.78 -0.69 -0.31 0.00 0.00 175.10 174.57 1c54 s VAL 36 N -1.23 4.77 -0.40 1.32 1.01 -1.26 -1.44 120.40 123.18 1c54 s VAL 36 Ca -0.08 0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1c54 s VAL 36 Cb -0.09 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.70 1c54 s VAL 36 CO 0.01 -0.53 0.23 0.12 0.00 0.00 0.00 175.10 174.92 1c54 s PHE 37 N -2.39 1.32 -0.34 5.22 5.36 -0.01 -4.71 117.98 122.43 1c54 s PHE 37 Ca 0.52 -2.02 -0.04 0.00 -0.96 0.00 0.00 56.93 54.43 1c54 s PHE 37 Cb -0.10 -1.36 -0.10 0.00 -0.34 0.00 0.00 43.02 41.11 1c54 s PHE 37 CO 0.31 -0.81 2.07 0.94 -1.46 0.00 0.00 175.22 176.28 1c54 n GLN 38 N 3.76 1.39 -3.19 10.12 0.00 -1.26 -4.41 117.38 123.79 1c54 n GLN 38 Ca 0.11 -0.87 -0.10 0.00 -0.00 0.00 0.00 57.00 56.15 1c54 n GLN 38 Cb 0.36 -2.03 -0.02 0.00 0.00 0.00 0.00 30.24 28.56 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 3.37 -0.06 0.31 1.69 6.94 -1.26 -4.68 115.26 121.57 1c54 n ASN 39 Ca 0.30 -0.35 0.19 0.00 -0.02 0.00 0.00 54.58 54.69 1c54 n ASN 39 Cb 0.33 -0.43 0.99 0.00 -2.36 0.00 0.00 39.78 38.30 1c54 n ASN 39 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 1c54 h ARG 40 N 0.54 0.00 0.00 -3.83 -0.00 -2.00 0.69 114.38 109.78 1c54 h ARG 40 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.80 1c54 h ARG 40 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.35 1c54 h ARG 40 CO 0.18 0.00 0.00 0.39 -0.00 0.00 0.00 179.97 180.54 1c54 n GLU 41 N -3.16 0.11 -4.14 0.08 1.02 -1.26 -4.93 120.64 108.36 1c54 n GLU 41 Ca -0.02 0.13 -0.35 0.00 -0.02 0.00 0.00 57.16 56.90 1c54 n GLU 41 Cb 0.24 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.83 -3.01 -0.00 1.62 2.88 0.24 -4.79 113.62 108.74 1c54 n SER 42 Ca 0.06 -0.94 0.05 0.00 -1.33 0.00 0.00 58.87 56.71 1c54 n SER 42 Cb 0.35 -2.49 -0.06 0.00 -0.75 0.00 0.00 64.21 61.25 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 -4.04 2.46 0.31 -1.26 -5.01 118.33 106.58 1c54 n VAL 43 Ca 0.08 -0.25 -0.31 0.00 -0.01 0.00 0.00 64.34 63.84 1c54 n VAL 43 Cb 0.49 0.76 -0.06 0.00 -0.91 0.00 0.00 33.84 34.11 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 -2.88 3.92 -0.72 7.52 2.01 -1.26 -4.07 118.68 123.20 1c54 s LEU 44 Ca 0.01 0.08 -0.06 0.00 0.01 0.00 0.00 54.13 54.17 1c54 s LEU 44 Cb 0.07 -2.52 -0.12 0.00 0.01 0.00 0.00 46.19 43.64 1c54 s LEU 44 CO 0.42 0.20 2.55 -0.81 1.01 0.00 0.00 176.35 179.72 1c54 n PRO 45 N 0.60 2.19 -0.01 1.29 -0.04 -1.26 -4.84 135.00 132.94 1c54 n PRO 45 Ca -0.09 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 1c54 n PRO 45 Cb 0.52 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 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 3.45 0.00 0.00 0.52 -1.04 -1.26 -5.01 114.28 110.94 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 0.36 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 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 -0.23 0.00 -4.31 -2.82 7.27 -1.26 -5.15 117.38 110.87 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 4.28 0.01 1.69 1.04 -1.26 -5.13 113.70 114.33 1c54 s SER 48 Ca 0.00 -0.87 -0.17 0.00 0.48 0.00 0.00 55.95 55.39 1c54 s SER 48 Cb 0.00 -0.62 -0.06 0.00 0.10 0.00 0.00 66.02 65.44 1c54 s SER 48 CO 0.00 -0.14 0.47 -0.47 0.98 0.00 0.00 173.24 174.08 1c54 s TYR 49 N -2.45 3.73 0.00 5.02 5.04 -1.26 -4.04 117.35 123.39 1c54 s TYR 49 Ca 0.34 1.08 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 1c54 s TYR 49 Cb -0.03 -2.40 0.00 0.00 0.35 0.00 0.00 41.96 39.89 1c54 s TYR 49 CO 0.19 0.56 0.00 0.41 -1.34 0.00 0.00 175.55 175.38 1c54 n GLY 50 N 1.98 0.40 0.30 8.97 0.00 -1.26 -4.88 105.19 110.69 1c54 n GLY 50 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.60 0.13 -3.77 1.61 9.36 -1.26 -4.81 117.16 115.82 1c54 n TYR 51 Ca 0.00 -0.05 -0.11 0.00 3.32 0.00 0.00 57.90 61.06 1c54 n TYR 51 Cb 0.13 -0.05 -0.07 0.00 -0.63 0.00 0.00 39.34 38.72 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 -1.66 -0.05 0.05 2.98 1.51 -1.26 -1.43 117.35 117.49 1c54 s TYR 52 Ca 0.05 -0.18 -0.17 0.00 -1.01 0.00 0.00 57.07 55.76 1c54 s TYR 52 Cb 0.03 0.07 0.03 0.00 -0.11 0.00 0.00 41.96 41.98 1c54 s TYR 52 CO 0.03 -0.53 0.38 -1.01 -1.11 0.00 0.00 175.55 173.31 1c54 s HIS 53 N -2.97 -0.21 0.01 2.71 3.76 -0.44 -0.83 115.29 117.33 1c54 s HIS 53 Ca -0.02 0.13 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 1c54 s HIS 53 Cb 0.01 0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.84 1c54 s HIS 53 CO -0.06 -0.55 -0.05 -1.21 -0.85 0.00 0.00 174.74 172.02 1c54 s GLU 54 N -2.55 2.59 -0.46 1.40 2.02 -0.52 -1.57 118.70 119.62 1c54 s GLU 54 Ca -0.05 -0.72 0.06 0.00 0.02 0.00 0.00 54.97 54.28 1c54 s GLU 54 Cb -0.01 -2.54 0.30 0.00 0.10 0.00 0.00 34.13 31.99 1c54 s GLU 54 CO -0.03 0.60 1.09 0.66 0.02 0.00 0.00 175.26 177.60 1c54 n TYR 55 N 1.40 -2.79 -1.51 1.61 4.01 0.02 -3.71 117.16 116.19 1c54 n TYR 55 Ca -0.15 -1.95 -0.59 0.00 -0.16 0.00 0.00 57.90 55.05 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 0.64 0.00 -2.84 -0.72 -1.04 -1.23 -3.53 114.28 105.56 1c54 n THR 56 Ca 0.06 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.65 1c54 n THR 56 Cb 0.69 -0.03 -0.04 0.00 -1.82 0.00 0.00 70.33 69.13 1c54 n THR 56 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1c54 s VAL 57 N 0.12 4.81 1.00 12.58 -7.23 -1.26 -4.83 120.40 125.59 1c54 s VAL 57 Ca 0.91 1.69 -0.18 0.00 -1.81 0.00 0.00 61.98 62.60 1c54 s VAL 57 Cb -1.27 -4.17 -0.12 0.00 0.56 0.00 0.00 36.38 31.38 1c54 s VAL 57 CO 0.58 -0.07 -0.73 -0.38 -0.31 0.00 0.00 175.10 174.20 1c54 n ILE 58 N 5.11 0.00 -3.66 -0.62 5.41 -1.25 -4.76 119.36 119.59 1c54 n ILE 58 Ca 0.07 -0.36 -0.13 0.00 1.00 0.00 0.00 62.75 63.32 1c54 n ILE 58 Cb 0.48 -0.11 -0.08 0.00 -0.71 0.00 0.00 39.64 39.21 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 -2.07 -0.00 0.37 1.39 2.01 -1.26 -4.56 115.64 111.52 1c54 s THR 59 Ca 0.42 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.17 1c54 s THR 59 Cb -0.13 -0.85 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 1c54 s THR 59 CO 0.77 0.00 1.08 -2.16 -0.69 0.00 0.00 174.62 173.62 1c54 s PRO 60 N 0.51 4.26 -1.42 4.92 0.04 -1.26 -3.26 135.00 138.78 1c54 s PRO 60 Ca -0.01 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1c54 s PRO 60 Cb -0.05 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1c54 s PRO 60 CO -0.02 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1c54 n GLY 61 N 0.59 0.16 3.48 0.56 0.00 -1.26 -4.87 105.19 103.85 1c54 n GLY 61 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.61 3.25 0.52 4.61 0.00 -1.20 -4.84 121.76 121.49 1c54 s ALA 62 Ca 0.00 -2.69 0.45 0.00 0.00 0.00 0.00 51.96 49.72 1c54 s ALA 62 Cb 0.00 -4.19 1.67 0.00 0.00 0.00 0.00 23.12 20.60 1c54 s ALA 62 CO 0.00 -3.13 1.58 0.00 0.00 0.00 0.00 175.76 174.20 1c54 h ARG 63 N 8.92 0.00 0.00 0.00 3.08 -1.91 -3.42 114.38 121.05 1c54 h ARG 63 Ca 0.19 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1c54 h ARG 63 Cb 1.01 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1c54 h ARG 63 CO 1.20 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 180.36 1c54 n THR 64 N -4.18 0.00 0.16 2.04 -2.24 -1.26 -5.00 114.28 103.79 1c54 n THR 64 Ca 0.43 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.32 1c54 n THR 64 Cb 1.88 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 70.67 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 0.13 -0.99 -0.78 1.74 -1.26 -4.94 116.66 110.56 1c54 n ARG 65 Ca 0.00 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 1c54 n ARG 65 Cb 0.00 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 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 -4.08 0.55 -0.13 0.00 -1.26 -4.61 105.19 94.35 1c54 n GLY 66 Ca -0.01 -0.82 0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 1.21 0.27 -2.46 2.61 1.35 -1.92 -3.42 112.91 110.56 1c54 h THR 67 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 66.41 65.25 1c54 h THR 67 Cb 0.00 0.31 0.11 0.00 -1.73 0.00 0.00 68.15 66.83 1c54 h THR 67 CO 0.00 0.00 0.18 0.54 -0.25 0.00 0.00 175.52 175.99 1c54 n ARG 68 N -3.93 1.40 -3.64 4.72 1.74 -1.26 -0.29 116.66 115.39 1c54 n ARG 68 Ca 0.26 0.49 -0.10 0.00 -0.77 0.00 0.00 57.85 57.74 1c54 n ARG 68 Cb 1.34 -1.90 -0.07 0.00 -1.02 0.00 0.00 32.46 30.82 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 -1.39 0.60 -0.11 5.56 6.06 -1.26 -4.48 118.95 123.94 1c54 s ARG 69 Ca 0.60 0.78 -0.04 0.00 -2.50 0.00 0.00 55.73 54.58 1c54 s ARG 69 Cb -0.71 0.26 -0.04 0.00 0.06 0.00 0.00 34.95 34.53 1c54 s ARG 69 CO 0.59 -0.08 0.04 0.42 -2.50 0.00 0.00 175.30 173.76 1c54 s ILE 70 N 0.53 4.62 -0.29 4.11 1.01 -1.23 -2.25 121.20 127.70 1c54 s ILE 70 Ca -0.00 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1c54 s ILE 70 Cb -0.05 -2.98 0.09 0.00 0.01 0.00 0.00 42.46 39.53 1c54 s ILE 70 CO -0.06 0.59 0.04 -0.63 0.00 0.00 0.00 174.94 174.88 1c54 s ILE 71 N -0.73 1.33 0.51 2.92 -1.09 0.11 -0.80 121.20 123.45 1c54 s ILE 71 Ca 0.12 -1.50 -0.04 0.00 -2.23 0.00 0.00 60.65 57.00 1c54 s ILE 71 Cb -0.12 -1.88 -0.01 0.00 -1.58 0.00 0.00 42.46 38.87 1c54 s ILE 71 CO 0.02 -0.47 0.80 0.42 -1.23 0.00 0.00 174.94 174.48 1c54 s THR 72 N 1.42 4.22 0.09 2.92 -4.23 -0.61 0.70 115.64 120.15 1c54 s THR 72 Ca 0.05 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1c54 s THR 72 Cb -0.18 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.05 1c54 s THR 72 CO -0.15 -0.58 0.10 0.61 -0.54 0.00 0.00 174.62 174.06 1c54 n GLY 73 N -2.33 2.39 0.02 3.99 0.00 -0.43 -1.33 105.19 107.50 1c54 n GLY 73 Ca 0.02 -2.16 0.13 0.00 0.00 0.00 0.00 46.02 44.00 1c54 n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1c54 n GLU 74 N -0.98 0.06 -5.12 1.61 4.07 -0.52 -4.73 120.64 115.04 1c54 n GLU 74 Ca 0.01 0.03 -0.30 0.00 -0.06 0.00 0.00 57.16 56.84 1c54 n GLU 74 Cb 0.09 -1.55 -0.17 0.00 -0.06 0.00 0.00 31.44 29.76 1c54 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1c54 s ALA 75 N -3.03 1.99 0.42 4.31 0.00 -1.26 -5.11 121.76 119.07 1c54 s ALA 75 Ca 0.11 -0.90 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 1c54 s ALA 75 Cb 0.17 -0.71 -0.12 0.00 0.00 0.00 0.00 23.12 22.47 1c54 s ALA 75 CO 0.65 0.31 0.76 2.41 0.00 0.00 0.00 175.76 179.88 1c54 n THR 76 N 3.34 2.13 -1.57 0.00 -1.04 -1.26 -3.90 114.28 111.98 1c54 n THR 76 Ca -0.19 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 1c54 n THR 76 Cb 0.53 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 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 0.37 0.00 -2.69 -2.82 6.02 -1.26 -5.04 117.38 111.95 1c54 n GLN 77 Ca 0.11 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.04 1c54 n GLN 77 Cb 0.39 -1.74 0.08 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.24 0.75 -3.73 -1.09 1.02 -1.25 -4.97 120.64 110.13 1c54 n GLU 78 Ca 0.00 -1.43 -0.36 0.00 -0.02 0.00 0.00 57.16 55.34 1c54 n GLU 78 Cb 0.47 -0.36 -0.10 0.00 -0.02 0.00 0.00 31.44 31.43 1c54 n GLU 78 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1c54 s ASP 79 N -0.84 5.24 0.19 1.62 1.47 -1.25 -1.31 116.67 121.79 1c54 s ASP 79 Ca 0.18 -2.62 -0.30 0.00 1.18 0.00 0.00 52.55 50.99 1c54 s ASP 79 Cb 0.28 -1.85 -0.08 0.00 -0.34 0.00 0.00 42.92 40.94 1c54 s ASP 79 CO -0.08 -0.42 1.14 -0.31 0.68 0.00 0.00 175.17 176.18 1c54 s TYR 80 N 0.28 3.52 -0.47 2.11 2.02 0.22 -1.08 117.35 123.94 1c54 s TYR 80 Ca 0.14 1.53 0.04 0.00 -0.37 0.00 0.00 57.07 58.42 1c54 s TYR 80 Cb -0.21 -3.34 0.12 0.00 -0.40 0.00 0.00 41.96 38.13 1c54 s TYR 80 CO -0.04 -0.86 0.22 -0.47 -1.57 0.00 0.00 175.55 172.83 1c54 s TYR 81 N -0.25 3.08 0.00 2.71 5.04 -0.14 0.06 117.35 127.84 1c54 s TYR 81 Ca 0.50 -3.02 0.00 0.00 -2.44 0.00 0.00 57.07 52.12 1c54 s TYR 81 Cb -0.31 -2.69 0.00 0.00 0.35 0.00 0.00 41.96 39.31 1c54 s TYR 81 CO 0.36 -0.78 0.70 -2.37 -1.34 0.00 0.00 175.55 172.12 1c54 n THR 82 N 3.39 0.00 -0.99 4.34 5.66 -0.95 -3.16 114.28 122.57 1c54 n THR 82 Ca 0.05 1.20 0.00 0.00 -3.05 0.00 0.00 64.05 62.25 1c54 n THR 82 Cb 0.34 -1.82 0.00 0.00 -1.55 0.00 0.00 70.33 67.31 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 -0.93 0.49 0.37 1.09 0.00 -1.26 -4.49 105.19 100.45 1c54 n GLY 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.14 0.02 -2.21 1.61 8.00 -1.25 -4.42 116.55 118.17 1c54 n ASP 84 Ca 0.00 -1.76 -0.03 0.00 0.71 0.00 0.00 54.79 53.71 1c54 n ASP 84 Cb 0.07 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 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 -0.01 -2.02 -1.98 1.24 -0.00 0.60 -3.94 115.22 109.10 1c54 n HIS 85 Ca 0.00 0.85 -0.11 0.00 -0.00 0.00 0.00 57.72 58.46 1c54 n HIS 85 Cb 0.65 -2.91 -0.02 0.00 -0.00 0.00 0.00 29.99 27.71 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 -0.09 -1.09 -0.09 1.57 4.01 -1.26 -4.81 117.16 115.41 1c54 n TYR 86 Ca 0.04 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 1c54 n TYR 86 Cb 0.15 -2.42 -0.04 0.00 -0.31 0.00 0.00 39.34 36.73 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 -1.25 0.73 -2.48 -0.72 0.00 -1.25 -5.01 120.51 110.53 1c54 n ALA 87 Ca -0.12 -0.65 -0.28 0.00 0.00 0.00 0.00 53.44 52.39 1c54 n ALA 87 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.54 1.54 -0.30 0.00 -4.23 -1.26 -5.06 115.64 103.79 1c54 s THR 88 Ca -0.24 -1.60 -0.12 0.00 -1.18 0.00 0.00 61.69 58.55 1c54 s THR 88 Cb 0.05 -2.14 0.13 0.00 1.34 0.00 0.00 72.50 71.87 1c54 s THR 88 CO 0.37 0.00 0.71 -0.36 -0.54 0.00 0.00 174.62 174.80 1c54 s PHE 89 N -2.80 -1.19 -0.20 3.99 0.08 -1.26 -3.57 117.98 113.04 1c54 s PHE 89 Ca 0.28 2.12 -0.05 0.00 0.12 0.00 0.00 56.93 59.40 1c54 s PHE 89 Cb -0.01 0.71 0.07 0.00 -0.57 0.00 0.00 43.02 43.22 1c54 s PHE 89 CO 0.17 -0.59 0.11 -1.12 -0.10 0.00 0.00 175.22 173.69 1c54 s SER 90 N 2.56 2.51 1.00 1.36 0.01 -1.19 -1.70 113.70 118.24 1c54 s SER 90 Ca -0.06 -0.72 -0.18 0.00 1.31 0.00 0.00 55.95 56.30 1c54 s SER 90 Cb -0.10 -0.22 -0.10 0.00 0.21 0.00 0.00 66.02 65.81 1c54 s SER 90 CO -0.19 -0.37 -0.62 0.18 0.41 0.00 0.00 173.24 172.66 1c54 n LEU 91 N 5.28 -4.22 -4.36 2.44 4.77 -0.90 -0.97 117.00 119.04 1c54 n LEU 91 Ca -0.07 0.17 -0.35 0.00 -0.03 0.00 0.00 56.01 55.74 1c54 n LEU 91 Cb 0.48 -0.83 -0.14 0.00 -2.33 0.00 0.00 43.42 40.60 1c54 n LEU 91 CO 0.09 -4.91 -0.37 -0.63 -1.33 0.00 0.00 177.39 170.24 1c54 s ILE 92 N -2.10 3.55 -0.63 -0.08 1.09 -0.24 0.97 121.20 123.77 1c54 s ILE 92 Ca 0.44 -0.44 -0.16 0.00 -1.10 0.00 0.00 60.65 59.39 1c54 s ILE 92 Cb -0.14 -2.61 0.15 0.00 -1.06 0.00 0.00 42.46 38.80 1c54 s ILE 92 CO 0.77 0.43 0.61 -1.81 -0.10 0.00 0.00 174.94 174.83 1c54 s ASP 93 N 1.23 6.35 0.25 3.58 1.01 0.22 -4.76 116.67 124.55 1c54 s ASP 93 Ca 0.03 -1.99 -0.06 0.00 0.71 0.00 0.00 52.55 51.23 1c54 s ASP 93 Cb -0.14 -2.22 0.25 0.00 1.01 0.00 0.00 42.92 41.81 1c54 s ASP 93 CO -0.01 -0.82 1.92 1.56 0.21 0.00 0.00 175.17 178.04 1c54 h GLN 94 N 8.63 1.30 -0.92 8.23 7.50 -1.95 -0.91 115.11 136.99 1c54 h GLN 94 Ca -0.18 -0.08 0.16 0.00 0.50 0.00 0.00 58.65 59.04 1c54 h GLN 94 Cb 1.08 -0.29 -0.08 0.00 0.05 0.00 0.00 27.48 28.24 1c54 h GLN 94 CO 0.97 0.86 0.59 0.00 -1.50 0.00 0.00 178.83 179.75 1c54 h THR 95 N 1.34 0.80 -0.02 -0.54 1.03 -1.98 -3.42 112.91 110.11 1c54 h THR 95 Ca 0.36 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 66.53 1c54 h THR 95 Cb -0.15 0.06 0.00 0.00 -1.07 0.00 0.00 68.15 66.98 1c54 h THR 95 CO -0.08 0.12 0.00 0.00 -0.01 0.00 0.00 175.52 175.56