#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c54 s VAL 2 N 0.00 5.15 -2.00 2.12 1.01 -1.26 -4.45 120.40 120.97 1c54 s VAL 2 Ca 0.00 0.50 0.12 0.00 0.00 0.00 0.00 61.98 62.60 1c54 s VAL 2 Cb 0.00 -3.63 0.35 0.00 0.00 0.00 0.00 36.38 33.10 1c54 s VAL 2 CO 0.00 0.43 1.38 -1.20 0.00 0.00 0.00 175.10 175.71 1c54 n SER 3 N 1.34 0.00 0.00 3.32 7.64 -1.12 -4.96 113.62 119.84 1c54 n SER 3 Ca -0.12 -1.39 0.00 0.00 1.01 0.00 0.00 58.87 58.37 1c54 n SER 3 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.55 0.70 3.97 0.23 0.00 -1.26 -5.05 105.19 104.33 1c54 n GLY 4 Ca 0.09 -2.31 -0.23 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.74 2.35 -0.14 2.61 2.01 -1.26 -2.16 115.64 118.31 1c54 s THR 5 Ca 0.00 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 1c54 s THR 5 Cb 0.00 -2.80 0.05 0.00 0.01 0.00 0.00 72.50 69.76 1c54 s THR 5 CO 0.00 0.00 0.08 0.54 -0.69 0.00 0.00 174.62 174.55 1c54 s VAL 6 N -3.05 -0.07 -0.07 3.82 0.11 0.27 -4.73 120.40 116.68 1c54 s VAL 6 Ca 0.62 -0.02 -0.37 0.00 -2.93 0.00 0.00 61.98 59.28 1c54 s VAL 6 Cb -0.08 -0.48 -0.15 0.00 -1.53 0.00 0.00 36.38 34.14 1c54 s VAL 6 CO 0.42 -0.15 1.61 0.00 -3.33 0.00 0.00 175.10 173.65 1c54 h LEU 8 N 6.48 0.42 -1.54 0.00 6.46 -1.61 0.51 115.31 126.03 1c54 h LEU 8 Ca -0.47 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.30 1c54 h LEU 8 Cb 1.31 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 1c54 h LEU 8 CO 0.89 0.13 -0.15 -1.28 -0.62 0.00 0.00 178.44 177.41 1c54 h SER 9 N 0.40 0.11 1.45 1.25 0.87 -1.83 -0.52 113.55 115.28 1c54 h SER 9 Ca 0.52 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1c54 h SER 9 Cb 1.33 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1c54 h SER 9 CO -0.22 0.27 0.00 0.00 -0.53 0.00 0.00 176.83 176.35 1c54 h ALA 10 N 1.74 1.00 -2.22 6.23 0.00 -1.21 -3.45 119.26 121.36 1c54 h ALA 10 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.46 1c54 h ALA 10 Cb 0.33 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.15 1c54 h ALA 10 CO 0.02 0.00 0.01 -0.51 0.00 0.00 0.00 179.25 178.77 1c54 s LEU 11 N -5.45 3.61 1.05 0.00 1.43 -0.20 -5.00 118.68 114.12 1c54 s LEU 11 Ca 0.06 0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 1c54 s LEU 11 Cb 0.09 -3.50 0.22 0.00 0.03 0.00 0.00 46.19 43.03 1c54 s LEU 11 CO 0.58 -0.67 1.08 -2.16 0.23 0.00 0.00 176.35 175.40 1c54 s PRO 12 N -4.67 0.02 0.47 1.29 0.04 -1.26 -4.91 135.00 125.98 1c54 s PRO 12 Ca 0.48 0.59 0.32 0.00 0.04 0.00 0.00 61.00 62.43 1c54 s PRO 12 Cb -0.10 -1.68 1.43 0.00 0.04 0.00 0.00 34.50 34.18 1c54 s PRO 12 CO 0.41 -3.03 1.94 -1.00 0.04 0.00 0.00 177.00 175.37 1c54 h PRO 13 N -2.11 0.00 0.00 0.56 0.13 -1.96 -2.35 132.00 126.27 1c54 h PRO 13 Ca -0.57 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.43 1c54 h PRO 13 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1c54 h PRO 13 CO 0.56 0.00 -0.95 1.49 -0.23 0.00 0.00 178.00 178.87 1c54 h GLU 14 N 0.00 0.00 -1.04 0.86 4.57 -1.92 -3.33 114.58 113.72 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 0.33 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.82 1c54 h GLU 14 CO 0.00 0.39 0.66 0.00 -1.18 0.00 0.00 179.01 178.88 1c54 h ALA 15 N 1.48 2.15 -0.11 2.92 0.00 -1.70 0.40 119.26 124.40 1c54 h ALA 15 Ca -0.08 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1c54 h ALA 15 Cb 1.47 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1c54 h ALA 15 CO 0.05 -0.57 -0.65 0.00 0.00 0.00 0.00 179.25 178.08 1c54 h THR 16 N 0.43 1.36 -0.03 0.00 1.03 -1.72 -3.06 112.91 110.92 1c54 h THR 16 Ca 0.61 -1.99 0.03 0.00 -0.01 0.00 0.00 66.41 65.05 1c54 h THR 16 Cb 1.46 1.98 -0.04 0.00 -1.07 0.00 0.00 68.15 70.48 1c54 h THR 16 CO -0.33 0.61 -0.22 -0.78 -0.01 0.00 0.00 175.52 174.79 1c54 h ASP 17 N 0.32 -0.65 -0.20 0.00 1.82 -0.33 0.17 116.42 117.55 1c54 h ASP 17 Ca -0.02 0.10 0.01 0.00 -0.39 0.00 0.00 57.03 56.73 1c54 h ASP 17 Cb 1.21 0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.48 1c54 h ASP 17 CO 0.11 -0.28 0.11 0.74 -1.61 0.00 0.00 179.24 178.32 1c54 h THR 18 N -0.33 1.02 -0.27 2.25 2.02 -1.52 -0.14 112.91 115.94 1c54 h THR 18 Ca 0.07 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.25 1c54 h THR 18 Cb 0.43 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1c54 h THR 18 CO -0.22 0.04 0.22 -0.07 0.37 0.00 0.00 175.52 175.86 1c54 h LEU 19 N 0.24 0.00 -0.13 2.58 3.38 -1.37 0.22 115.31 120.23 1c54 h LEU 19 Ca 0.08 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 1c54 h LEU 19 Cb -0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1c54 h LEU 19 CO -0.04 0.00 -0.79 -1.13 0.09 0.00 0.00 178.44 176.58 1c54 h ASN 20 N 0.00 0.92 0.37 -0.43 -0.73 0.49 -0.92 115.58 115.29 1c54 h ASN 20 Ca 0.13 -0.64 -0.11 0.00 1.87 0.00 0.00 56.30 57.55 1c54 h ASN 20 Cb 0.57 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1c54 h ASN 20 CO -0.00 1.42 -0.46 -0.07 -0.37 0.00 0.00 177.43 177.95 1c54 h LEU 21 N 0.49 0.12 -0.49 0.34 3.38 0.93 0.89 115.31 120.96 1c54 h LEU 21 Ca -0.06 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1c54 h LEU 21 Cb 1.42 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 1c54 h LEU 21 CO 0.16 0.57 -0.40 0.40 0.09 0.00 0.00 178.44 179.26 1c54 h ILE 22 N 0.09 1.28 -0.02 1.22 5.03 -0.52 0.50 117.51 125.10 1c54 h ILE 22 Ca 0.00 -1.57 -0.06 0.00 -0.12 0.00 0.00 64.86 63.11 1c54 h ILE 22 Cb 0.85 1.45 0.00 0.00 -3.03 0.00 0.00 36.82 36.10 1c54 h ILE 22 CO 0.07 0.52 -0.21 0.00 -0.68 0.00 0.00 178.15 177.84 1c54 h ALA 23 N 0.90 0.06 -0.19 1.87 0.00 -0.65 -3.22 119.26 118.02 1c54 h ALA 23 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1c54 h ALA 23 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1c54 h ALA 23 CO 0.09 0.06 0.00 0.43 0.00 0.00 0.00 179.25 179.83 1c54 n SER 24 N -4.54 1.13 -4.33 0.00 7.64 0.31 -4.92 113.62 108.91 1c54 n SER 24 Ca -0.09 -1.89 -0.34 0.00 1.01 0.00 0.00 58.87 57.56 1c54 n SER 24 Cb 0.46 -0.12 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 1c54 n SER 24 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1c54 n ASP 25 N 0.07 -0.27 0.00 6.43 5.75 0.08 -4.49 116.55 124.12 1c54 n ASP 25 Ca 0.10 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 1c54 n ASP 25 Cb 0.20 -1.86 0.00 0.00 -1.03 0.00 0.00 41.12 38.43 1c54 n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c54 n GLY 26 N -2.01 -1.86 3.76 6.12 0.00 0.15 -4.88 105.19 106.48 1c54 n GLY 26 Ca -0.18 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 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 0.07 1.61 0.04 -1.26 -4.85 135.00 135.19 1c54 s PRO 27 Ca 0.00 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 1c54 s PRO 27 Cb 0.00 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 1c54 s PRO 27 CO 0.00 0.17 0.46 -0.06 0.04 0.00 0.00 177.00 177.61 1c54 s PHE 28 N -1.21 3.67 -0.03 0.56 0.40 -1.26 -4.94 117.98 115.17 1c54 s PHE 28 Ca 0.46 0.99 -0.05 0.00 -0.60 0.00 0.00 56.93 57.73 1c54 s PHE 28 Cb -0.31 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 40.89 1c54 s PHE 28 CO 0.40 0.55 0.34 -1.00 0.70 0.00 0.00 175.22 176.21 1c54 h PRO 29 N 4.11 -0.17 -7.07 0.24 0.13 -1.98 -3.47 132.00 123.80 1c54 h PRO 29 Ca -0.50 0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.14 1c54 h PRO 29 Cb 1.20 0.04 0.21 0.00 0.13 0.00 0.00 31.00 32.58 1c54 h PRO 29 CO 0.64 -0.11 -0.13 0.66 -0.23 0.00 0.00 178.00 178.83 1c54 n TYR 30 N -3.42 -0.36 1.76 1.56 4.02 -1.26 -4.90 117.16 114.56 1c54 n TYR 30 Ca -0.02 0.21 0.02 0.00 -0.01 0.00 0.00 57.90 58.10 1c54 n TYR 30 Cb 0.07 -1.84 0.08 0.00 -0.02 0.00 0.00 39.34 37.63 1c54 n TYR 30 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1c54 n SER 31 N -3.54 0.41 -4.13 7.72 2.88 -1.26 -4.67 113.62 111.03 1c54 n SER 31 Ca 0.08 -1.95 -0.37 0.00 -1.33 0.00 0.00 58.87 55.30 1c54 n SER 31 Cb 0.54 -0.05 -0.11 0.00 -0.75 0.00 0.00 64.21 63.84 1c54 n SER 31 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1c54 s GLN 32 N -1.90 2.10 0.00 -1.46 -0.21 -1.26 -4.99 119.66 111.93 1c54 s GLN 32 Ca 0.07 -1.85 0.00 0.00 0.02 0.00 0.00 55.36 53.61 1c54 s GLN 32 Cb 0.04 -3.65 0.00 0.00 1.00 0.00 0.00 33.01 30.40 1c54 s GLN 32 CO 0.05 -1.10 0.00 -0.40 -2.12 0.00 0.00 175.29 171.73 1c54 n ASP 33 N 4.59 0.00 -0.01 5.90 5.75 -1.25 -3.65 116.55 127.87 1c54 n ASP 33 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 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 -0.67 0.90 3.32 6.12 0.00 -1.25 -5.06 105.19 108.56 1c54 n GLY 34 Ca 0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.03 1.95 0.46 1.61 -7.23 -1.26 -5.05 120.40 108.87 1c54 s VAL 35 Ca 0.00 -1.48 -0.10 0.00 -1.81 0.00 0.00 61.98 58.59 1c54 s VAL 35 Cb 0.00 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 1c54 s VAL 35 CO 0.00 0.15 0.83 -0.69 -0.31 0.00 0.00 175.10 175.08 1c54 s VAL 36 N -0.96 4.79 -0.38 1.32 1.01 -1.26 -0.94 120.40 123.98 1c54 s VAL 36 Ca 0.10 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.68 1c54 s VAL 36 Cb -0.10 -3.79 0.15 0.00 0.00 0.00 0.00 36.38 32.65 1c54 s VAL 36 CO 0.04 -0.71 0.28 0.12 0.00 0.00 0.00 175.10 174.83 1c54 s PHE 37 N -2.61 0.68 -0.52 5.22 5.36 -0.49 -4.62 117.98 121.00 1c54 s PHE 37 Ca 0.51 -1.76 -0.05 0.00 -0.96 0.00 0.00 56.93 54.67 1c54 s PHE 37 Cb -0.10 -0.83 -0.10 0.00 -0.34 0.00 0.00 43.02 41.65 1c54 s PHE 37 CO 0.38 -0.85 2.24 0.94 -1.46 0.00 0.00 175.22 176.46 1c54 n GLN 38 N 3.61 1.72 -3.58 10.12 0.00 -1.26 -4.48 117.38 123.51 1c54 n GLN 38 Ca 0.18 -1.08 -0.18 0.00 -0.00 0.00 0.00 57.00 55.92 1c54 n GLN 38 Cb 0.42 -2.16 -0.03 0.00 0.00 0.00 0.00 30.24 28.47 1c54 n GLN 38 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1c54 n ASN 39 N 3.50 -0.42 0.29 1.69 5.15 -1.26 -4.70 115.26 119.50 1c54 n ASN 39 Ca 0.37 -0.63 0.18 0.00 -0.60 0.00 0.00 54.58 53.90 1c54 n ASN 39 Cb 0.32 -0.77 0.98 0.00 -0.53 0.00 0.00 39.78 39.78 1c54 n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1c54 h ARG 40 N -0.12 0.00 -0.00 1.20 -0.00 -1.97 0.37 114.38 113.86 1c54 h ARG 40 Ca -0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.15 1c54 h ARG 40 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.65 1c54 h ARG 40 CO 0.31 0.00 -0.13 0.39 0.00 0.00 0.00 179.97 180.55 1c54 n GLU 41 N -3.46 0.21 -4.32 0.04 1.02 -1.26 -4.95 120.64 107.92 1c54 n GLU 41 Ca -0.02 -0.05 -0.37 0.00 -0.02 0.00 0.00 57.16 56.70 1c54 n GLU 41 Cb 0.19 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.35 -2.15 -0.00 1.62 2.88 0.13 -4.82 113.62 109.93 1c54 n SER 42 Ca 0.09 -1.12 0.05 0.00 -1.33 0.00 0.00 58.87 56.57 1c54 n SER 42 Cb 0.31 -2.29 -0.07 0.00 -0.75 0.00 0.00 64.21 61.41 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 -4.30 0.00 -3.91 2.46 0.31 -1.26 -4.62 118.33 107.01 1c54 n VAL 43 Ca 0.02 -0.25 -0.32 0.00 -0.01 0.00 0.00 64.34 63.78 1c54 n VAL 43 Cb 0.51 0.82 -0.04 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 -2.81 4.36 -1.37 7.52 2.01 -1.26 -0.03 118.68 127.10 1c54 s LEU 44 Ca 0.02 0.31 -0.09 0.00 0.01 0.00 0.00 54.13 54.38 1c54 s LEU 44 Cb 0.08 -2.83 -0.10 0.00 0.01 0.00 0.00 46.19 43.35 1c54 s LEU 44 CO 0.45 0.21 2.87 -0.81 1.01 0.00 0.00 176.35 180.08 1c54 n PRO 45 N 0.55 3.29 0.00 1.29 -0.04 -1.26 -3.09 135.00 135.73 1c54 n PRO 45 Ca -0.07 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1c54 n PRO 45 Cb 0.52 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 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 3.58 0.00 0.00 0.52 -1.04 -1.26 -4.93 114.28 111.15 1c54 n THR 46 Ca 0.70 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.71 1c54 n THR 46 Cb 0.27 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 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 -1.21 -2.82 7.27 -1.26 -5.00 117.38 114.36 1c54 n GLN 47 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 1c54 n GLN 47 Cb 0.00 0.00 0.02 0.00 2.41 0.00 0.00 30.24 32.67 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 0.00 -3.93 -4.53 1.69 3.41 -1.26 -4.75 113.62 104.25 1c54 n SER 48 Ca 0.00 0.56 -0.35 0.00 -0.26 0.00 0.00 58.87 58.82 1c54 n SER 48 Cb 0.00 -0.86 -0.11 0.00 -0.26 0.00 0.00 64.21 62.97 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 -1.98 3.13 0.00 7.33 6.14 -1.26 -4.42 117.35 126.28 1c54 s TYR 49 Ca 0.54 -0.21 0.00 0.00 0.64 0.00 0.00 57.07 58.05 1c54 s TYR 49 Cb -0.43 -2.09 0.00 0.00 0.42 0.00 0.00 41.96 39.86 1c54 s TYR 49 CO 0.69 -0.07 0.00 0.41 0.64 0.00 0.00 175.55 177.22 1c54 n GLY 50 N 3.98 3.16 0.11 8.97 0.00 -1.26 -4.83 105.19 115.32 1c54 n GLY 50 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.69 0.56 -4.36 1.61 9.36 -1.26 -4.66 117.16 116.72 1c54 n TYR 51 Ca 0.00 0.26 -0.24 0.00 3.32 0.00 0.00 57.90 61.24 1c54 n TYR 51 Cb 0.00 -0.92 -0.09 0.00 -0.63 0.00 0.00 39.34 37.71 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 -3.33 2.53 0.15 2.98 1.51 -1.26 0.19 117.35 120.12 1c54 s TYR 52 Ca 0.01 -0.38 -0.23 0.00 -1.01 0.00 0.00 57.07 55.46 1c54 s TYR 52 Cb 0.07 -1.34 0.07 0.00 -0.11 0.00 0.00 41.96 40.64 1c54 s TYR 52 CO 0.24 0.55 0.59 -1.01 -1.11 0.00 0.00 175.55 174.81 1c54 s HIS 53 N -2.48 -0.53 0.04 2.71 3.76 -0.77 -1.39 115.29 116.63 1c54 s HIS 53 Ca 0.33 0.33 0.08 0.00 -0.15 0.00 0.00 55.06 55.65 1c54 s HIS 53 Cb -0.02 0.54 -0.03 0.00 1.11 0.00 0.00 32.58 34.18 1c54 s HIS 53 CO 0.19 -0.83 -0.21 -1.21 -0.85 0.00 0.00 174.74 171.83 1c54 s GLU 54 N -3.66 2.00 -0.47 1.40 2.02 -0.12 -2.05 118.70 117.82 1c54 s GLU 54 Ca 0.01 -1.01 0.06 0.00 0.02 0.00 0.00 54.97 54.05 1c54 s GLU 54 Cb -0.01 -2.13 0.29 0.00 0.10 0.00 0.00 34.13 32.38 1c54 s GLU 54 CO -0.12 0.53 1.01 0.66 0.02 0.00 0.00 175.26 177.36 1c54 n TYR 55 N 1.65 -2.91 -1.33 1.61 4.01 -0.28 -3.77 117.16 116.14 1c54 n TYR 55 Ca -0.16 -2.07 -0.52 0.00 -0.16 0.00 0.00 57.90 54.99 1c54 n TYR 55 Cb 0.52 1.51 -0.08 0.00 -0.31 0.00 0.00 39.34 40.98 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 0.86 0.00 -2.73 -0.72 -1.04 -1.24 -3.79 114.28 105.63 1c54 n THR 56 Ca 0.08 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.66 1c54 n THR 56 Cb 0.67 -0.35 -0.03 0.00 -1.82 0.00 0.00 70.33 68.80 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 2.10 4.64 0.91 12.58 0.11 -1.18 -4.85 120.40 134.70 1c54 s VAL 57 Ca 0.80 1.68 -0.16 0.00 -2.93 0.00 0.00 61.98 61.36 1c54 s VAL 57 Cb -1.14 -4.31 -0.11 0.00 -1.53 0.00 0.00 36.38 29.29 1c54 s VAL 57 CO 0.61 -0.33 -0.42 -0.38 -3.33 0.00 0.00 175.10 171.26 1c54 n ILE 58 N 5.62 0.12 -3.70 7.04 5.41 -1.26 -4.67 119.36 127.91 1c54 n ILE 58 Ca 0.10 -0.44 -0.14 0.00 1.00 0.00 0.00 62.75 63.27 1c54 n ILE 58 Cb 0.47 -0.16 -0.09 0.00 -0.71 0.00 0.00 39.64 39.15 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 0.01 0.43 1.39 2.01 -1.26 -4.69 115.64 111.46 1c54 s THR 59 Ca 0.47 -0.08 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 1c54 s THR 59 Cb -0.23 -0.68 -0.08 0.00 0.01 0.00 0.00 72.50 71.52 1c54 s THR 59 CO 0.77 -0.04 1.13 -2.16 -0.69 0.00 0.00 174.62 173.62 1c54 s PRO 60 N -0.13 3.92 -2.06 4.92 0.04 -1.26 -3.23 135.00 137.21 1c54 s PRO 60 Ca -0.03 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1c54 s PRO 60 Cb -0.03 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1c54 s PRO 60 CO 0.02 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1c54 n GLY 61 N 0.43 1.41 3.48 0.56 0.00 -1.26 -4.89 105.19 104.92 1c54 n GLY 61 Ca 0.06 0.00 -0.43 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 -2.78 3.39 0.59 4.61 0.00 -1.20 -4.83 121.76 121.55 1c54 s ALA 62 Ca 0.00 -2.83 0.31 0.00 0.00 0.00 0.00 51.96 49.44 1c54 s ALA 62 Cb 0.00 -4.19 1.35 0.00 0.00 0.00 0.00 23.12 20.27 1c54 s ALA 62 CO 0.00 -3.07 1.70 0.00 0.00 0.00 0.00 175.76 174.39 1c54 h ARG 63 N 8.53 0.00 0.00 0.00 3.08 -1.90 -3.43 114.38 120.65 1c54 h ARG 63 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1c54 h ARG 63 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1c54 h ARG 63 CO 1.22 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 180.37 1c54 n THR 64 N -3.67 0.00 0.28 2.04 -2.24 -1.26 -5.00 114.28 104.43 1c54 n THR 64 Ca 0.17 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.11 1c54 n THR 64 Cb 1.07 0.00 0.86 0.00 -2.10 0.00 0.00 70.33 70.16 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 -2.93 -0.78 3.08 -1.99 -3.47 114.38 108.28 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 -0.63 0.41 -1.07 0.00 0.00 179.97 178.68 1c54 n GLY 66 N -1.19 -4.62 0.67 0.04 0.00 -1.26 -4.64 105.19 94.17 1c54 n GLY 66 Ca -0.02 -0.52 0.51 0.00 0.00 0.00 0.00 46.02 45.99 1c54 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c54 n THR 67 N 0.67 -0.05 -1.43 2.61 -2.24 -1.26 -4.45 114.28 108.13 1c54 n THR 67 Ca 0.00 1.54 -0.48 0.00 -2.27 0.00 0.00 64.05 62.83 1c54 n THR 67 Cb 0.00 -2.55 -0.10 0.00 -2.10 0.00 0.00 70.33 65.58 1c54 n THR 67 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1c54 n ARG 68 N -4.05 0.47 -4.44 -0.78 5.12 -1.25 -0.15 116.66 111.57 1c54 n ARG 68 Ca 0.44 0.09 -0.20 0.00 -1.93 0.00 0.00 57.85 56.25 1c54 n ARG 68 Cb 1.93 -2.06 -0.14 0.00 -1.16 0.00 0.00 32.46 31.03 1c54 n ARG 68 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1c54 s ARG 69 N 7.29 0.89 -0.07 5.56 1.81 -1.26 -3.13 118.95 130.04 1c54 s ARG 69 Ca 1.19 -0.47 0.04 0.00 -1.72 0.00 0.00 55.73 54.77 1c54 s ARG 69 Cb -1.05 -0.86 -0.02 0.00 -0.45 0.00 0.00 34.95 32.57 1c54 s ARG 69 CO 0.50 0.23 -0.20 0.42 -0.68 0.00 0.00 175.30 175.57 1c54 s ILE 70 N -0.40 2.52 -0.31 1.52 1.01 -1.25 -2.14 121.20 122.15 1c54 s ILE 70 Ca 0.03 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1c54 s ILE 70 Cb -0.05 -1.96 0.09 0.00 0.01 0.00 0.00 42.46 40.55 1c54 s ILE 70 CO -0.00 0.57 0.05 -0.63 0.00 0.00 0.00 174.94 174.92 1c54 s ILE 71 N -0.25 1.69 0.49 2.92 -1.09 0.51 -1.12 121.20 124.34 1c54 s ILE 71 Ca 0.00 -1.83 -0.03 0.00 -2.23 0.00 0.00 60.65 56.56 1c54 s ILE 71 Cb -0.13 -2.19 -0.01 0.00 -1.58 0.00 0.00 42.46 38.55 1c54 s ILE 71 CO 0.03 -0.53 0.76 0.42 -1.23 0.00 0.00 174.94 174.39 1c54 s THR 72 N 1.22 4.20 0.37 2.92 -4.23 -0.87 0.89 115.64 120.15 1c54 s THR 72 Ca 0.07 -0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.50 1c54 s THR 72 Cb -0.18 -3.60 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 1c54 s THR 72 CO -0.13 -0.52 0.08 -0.83 -0.54 0.00 0.00 174.62 172.67 1c54 s GLY 73 N -4.20 2.17 0.24 3.99 0.00 -0.15 -1.85 107.32 107.53 1c54 s GLY 73 Ca 0.49 -2.02 0.21 0.00 0.00 0.00 0.00 44.72 43.40 1c54 s GLY 73 CO 0.42 -1.91 1.65 -2.21 0.00 0.00 0.00 173.10 171.05 1c54 n GLU 74 N -1.06 0.16 -4.38 2.90 4.07 0.13 -4.41 120.64 118.05 1c54 n GLU 74 Ca -0.03 0.46 -0.34 0.00 -0.06 0.00 0.00 57.16 57.19 1c54 n GLU 74 Cb 0.63 -1.85 -0.12 0.00 -0.06 0.00 0.00 31.44 30.05 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 -3.33 3.05 0.44 4.31 0.00 -1.26 -5.09 121.76 119.88 1c54 s ALA 75 Ca 0.03 -0.81 -0.24 0.00 0.00 0.00 0.00 51.96 50.93 1c54 s ALA 75 Cb 0.08 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.54 1c54 s ALA 75 CO 0.32 0.25 1.15 2.41 0.00 0.00 0.00 175.76 179.89 1c54 n THR 76 N 3.39 2.69 -2.18 0.00 -1.04 -1.26 -3.08 114.28 112.79 1c54 n THR 76 Ca -0.17 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1c54 n THR 76 Cb 0.53 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 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 -0.07 0.00 -2.55 -2.82 6.02 -1.26 -5.00 117.38 111.70 1c54 n GLN 77 Ca 0.08 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.89 1c54 n GLN 77 Cb 0.40 -3.11 0.02 0.00 1.02 0.00 0.00 30.24 28.57 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 -0.81 2.40 -3.61 -1.09 1.02 -1.18 -4.79 120.64 112.58 1c54 n GLU 78 Ca 0.00 -3.92 -0.40 0.00 -0.02 0.00 0.00 57.16 52.82 1c54 n GLU 78 Cb 0.50 -1.80 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 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 -3.38 5.62 -0.10 1.62 1.47 -1.25 -0.97 116.67 119.68 1c54 s ASP 79 Ca 0.38 -1.60 -0.18 0.00 1.18 0.00 0.00 52.55 52.33 1c54 s ASP 79 Cb 0.42 -1.98 -0.04 0.00 -0.34 0.00 0.00 42.92 40.98 1c54 s ASP 79 CO -0.08 -0.56 0.48 -0.31 0.68 0.00 0.00 175.17 175.39 1c54 s TYR 80 N 1.40 3.54 -0.20 2.11 2.02 0.26 -0.79 117.35 125.68 1c54 s TYR 80 Ca 0.04 0.93 -0.04 0.00 -0.37 0.00 0.00 57.07 57.62 1c54 s TYR 80 Cb -0.24 -2.54 -0.02 0.00 -0.40 0.00 0.00 41.96 38.77 1c54 s TYR 80 CO 0.01 0.22 -0.03 -0.47 -1.57 0.00 0.00 175.55 173.71 1c54 s TYR 81 N 0.44 2.99 0.00 2.71 6.14 0.00 -0.36 117.35 129.26 1c54 s TYR 81 Ca 0.26 -0.63 0.00 0.00 0.64 0.00 0.00 57.07 57.34 1c54 s TYR 81 Cb -0.15 -2.06 0.00 0.00 0.42 0.00 0.00 41.96 40.17 1c54 s TYR 81 CO 0.11 -0.33 0.00 -2.37 0.64 0.00 0.00 175.55 173.60 1c54 n THR 82 N 4.32 0.00 -0.11 4.34 5.66 -0.91 -1.24 114.28 126.34 1c54 n THR 82 Ca -0.18 0.44 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 1c54 n THR 82 Cb 0.52 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 67.92 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 1.84 2.61 0.55 1.09 0.00 -1.25 -4.47 105.19 105.57 1c54 n GLY 83 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1c54 n GLY 83 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c54 n ASP 84 N 0.00 2.77 0.00 1.61 -0.08 -1.24 -3.93 116.55 115.67 1c54 n ASP 84 Ca 0.00 -1.98 0.00 0.00 -1.51 0.00 0.00 54.79 51.30 1c54 n ASP 84 Cb 0.00 -0.19 0.00 0.00 2.34 0.00 0.00 41.12 43.27 1c54 n ASP 84 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1c54 n HIS 85 N 0.38 0.00 0.00 -0.67 -0.00 0.78 -4.37 115.22 111.34 1c54 n HIS 85 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1c54 n HIS 85 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.39 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 -1.81 0.00 0.00 1.57 4.02 -1.26 -4.87 117.16 114.81 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 2.13 -2.39 -0.72 0.00 -1.26 -5.10 120.51 113.17 1c54 n ALA 87 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1c54 n ALA 87 Cb 0.00 0.50 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 1.34 -0.28 0.00 -4.23 -1.26 -5.08 115.64 104.13 1c54 s THR 88 Ca 0.00 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.40 1c54 s THR 88 Cb 0.00 -2.43 0.16 0.00 1.34 0.00 0.00 72.50 71.57 1c54 s THR 88 CO 0.00 -0.29 0.54 -0.36 -0.54 0.00 0.00 174.62 173.98 1c54 s PHE 89 N -3.21 -1.32 -0.19 3.99 0.08 -1.20 -3.52 117.98 112.61 1c54 s PHE 89 Ca 0.29 1.62 -0.01 0.00 0.12 0.00 0.00 56.93 58.95 1c54 s PHE 89 Cb 0.05 0.47 0.05 0.00 -0.57 0.00 0.00 43.02 43.02 1c54 s PHE 89 CO 0.11 -0.77 -0.01 -1.12 -0.10 0.00 0.00 175.22 173.32 1c54 s SER 90 N 2.78 2.99 1.00 1.36 0.01 -0.37 -2.79 113.70 118.67 1c54 s SER 90 Ca 0.12 -0.80 -0.19 0.00 1.31 0.00 0.00 55.95 56.40 1c54 s SER 90 Cb -0.14 -0.80 -0.12 0.00 0.21 0.00 0.00 66.02 65.17 1c54 s SER 90 CO -0.19 -0.25 -0.77 0.18 0.41 0.00 0.00 173.24 172.62 1c54 n LEU 91 N 4.93 -4.36 -4.43 2.44 4.77 -0.92 -0.82 117.00 118.62 1c54 n LEU 91 Ca -0.10 0.14 -0.33 0.00 -0.03 0.00 0.00 56.01 55.69 1c54 n LEU 91 Cb 0.47 -0.77 -0.13 0.00 -2.33 0.00 0.00 43.42 40.65 1c54 n LEU 91 CO 0.15 -4.75 -0.41 -0.63 -1.33 0.00 0.00 177.39 170.41 1c54 s ILE 92 N -2.07 3.37 -0.62 -0.08 1.09 0.03 0.96 121.20 123.88 1c54 s ILE 92 Ca 0.42 -0.55 -0.08 0.00 -1.10 0.00 0.00 60.65 59.34 1c54 s ILE 92 Cb -0.11 -2.43 0.16 0.00 -1.06 0.00 0.00 42.46 39.01 1c54 s ILE 92 CO 0.76 0.52 0.49 -0.62 -0.10 0.00 0.00 174.94 175.99 1c54 s ASP 93 N 0.27 5.82 0.36 3.58 -1.08 -0.03 -4.81 116.67 120.77 1c54 s ASP 93 Ca -0.07 -2.44 0.10 0.00 -0.52 0.00 0.00 52.55 49.61 1c54 s ASP 93 Cb -0.15 -2.01 0.84 0.00 -1.46 0.00 0.00 42.92 40.15 1c54 s ASP 93 CO 0.04 -0.55 1.85 1.56 0.52 0.00 0.00 175.17 178.60 1c54 h GLN 94 N 7.78 0.64 -0.22 4.34 7.50 -1.96 -1.27 115.11 131.92 1c54 h GLN 94 Ca -0.06 -0.04 0.04 0.00 0.50 0.00 0.00 58.65 59.09 1c54 h GLN 94 Cb 1.02 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 28.37 1c54 h GLN 94 CO 0.78 0.43 0.01 0.00 -1.50 0.00 0.00 178.83 178.55 1c54 h THR 95 N 0.66 0.85 -0.01 -0.54 1.03 -1.97 -3.43 112.91 109.50 1c54 h THR 95 Ca 0.47 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.84 1c54 h THR 95 Cb 0.81 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 1c54 h THR 95 CO -0.22 0.01 0.00 0.00 -0.01 0.00 0.00 175.52 175.30