#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 2.43 -1.69 2.12 1.01 -0.91 -4.59 120.40 118.76 1c54 s VAL 2 Ca 0.00 0.37 0.31 0.00 0.00 0.00 0.00 61.98 62.66 1c54 s VAL 2 Cb 0.00 -3.21 0.68 0.00 0.00 0.00 0.00 36.38 33.85 1c54 s VAL 2 CO 0.00 0.04 2.11 -1.20 0.00 0.00 0.00 175.10 176.06 1c54 n SER 3 N -0.13 0.05 0.00 3.32 7.64 -1.18 -4.99 113.62 118.34 1c54 n SER 3 Ca 0.05 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.39 1c54 n SER 3 Cb 0.43 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 1.17 1.03 3.97 0.23 0.00 -1.26 -5.09 105.19 105.23 1c54 n GLY 4 Ca 0.18 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.01 2.26 -0.16 2.61 2.01 -1.26 -2.04 115.64 118.05 1c54 s THR 5 Ca 0.00 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 1c54 s THR 5 Cb 0.00 -2.79 0.07 0.00 0.01 0.00 0.00 72.50 69.79 1c54 s THR 5 CO 0.00 0.00 0.16 0.54 -0.69 0.00 0.00 174.62 174.63 1c54 s VAL 6 N -3.18 -0.23 0.19 3.82 0.11 0.31 -4.70 120.40 116.73 1c54 s VAL 6 Ca 0.64 -0.02 -0.32 0.00 -2.93 0.00 0.00 61.98 59.34 1c54 s VAL 6 Cb -0.07 -0.55 -0.14 0.00 -1.53 0.00 0.00 36.38 34.08 1c54 s VAL 6 CO 0.44 -0.15 1.34 0.00 -3.33 0.00 0.00 175.10 173.40 1c54 h LEU 8 N 4.15 0.17 -1.48 0.00 6.46 -1.18 0.77 115.31 124.20 1c54 h LEU 8 Ca -0.45 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.26 1c54 h LEU 8 Cb 1.30 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 1c54 h LEU 8 CO 0.75 0.11 -0.27 -1.28 -0.62 0.00 0.00 178.44 177.14 1c54 h SER 9 N 0.19 0.00 1.62 1.25 0.87 -1.83 -1.00 113.55 114.66 1c54 h SER 9 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1c54 h SER 9 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1c54 h SER 9 CO -0.02 0.27 0.00 0.00 -0.53 0.00 0.00 176.83 176.55 1c54 h ALA 10 N 1.73 1.00 -2.30 6.23 0.00 -1.17 -3.45 119.26 121.30 1c54 h ALA 10 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1c54 h ALA 10 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.34 1c54 h ALA 10 CO 0.03 0.00 0.16 -0.51 0.00 0.00 0.00 179.25 178.93 1c54 s LEU 11 N -5.73 3.48 1.02 0.00 1.43 -0.38 -4.99 118.68 113.51 1c54 s LEU 11 Ca 0.06 0.92 -0.13 0.00 -1.03 0.00 0.00 54.13 53.95 1c54 s LEU 11 Cb 0.08 -3.85 0.20 0.00 0.03 0.00 0.00 46.19 42.65 1c54 s LEU 11 CO 0.61 -0.74 1.09 -2.16 0.23 0.00 0.00 176.35 175.39 1c54 s PRO 12 N -4.85 0.23 0.23 1.29 0.04 -1.26 -4.95 135.00 125.74 1c54 s PRO 12 Ca 0.50 0.47 0.01 0.00 0.04 0.00 0.00 61.00 62.01 1c54 s PRO 12 Cb -0.10 -1.72 0.25 0.00 0.04 0.00 0.00 34.50 32.96 1c54 s PRO 12 CO 0.46 -2.85 1.59 -1.00 0.04 0.00 0.00 177.00 175.24 1c54 h PRO 13 N -1.98 0.45 0.00 0.56 0.13 -1.97 -2.69 132.00 126.51 1c54 h PRO 13 Ca -0.55 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1c54 h PRO 13 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1c54 h PRO 13 CO 0.57 0.82 0.00 -0.85 -0.23 0.00 0.00 178.00 178.31 1c54 n GLU 14 N -3.99 0.04 -0.20 0.86 0.00 -1.26 -2.61 120.64 113.47 1c54 n GLU 14 Ca -0.02 0.15 -0.10 0.00 0.00 0.00 0.00 57.16 57.19 1c54 n GLU 14 Cb 0.54 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.50 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 2.73 0.78 -0.27 -1.84 0.00 -1.62 -2.49 119.26 116.55 1c54 h ALA 15 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1c54 h ALA 15 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1c54 h ALA 15 CO 0.00 0.64 0.04 1.15 0.00 0.00 0.00 179.25 181.07 1c54 h THR 16 N 0.92 1.15 -0.31 0.00 2.02 -1.63 -2.77 112.91 112.29 1c54 h THR 16 Ca 0.16 -0.54 0.06 0.00 0.77 0.00 0.00 66.41 66.86 1c54 h THR 16 Cb 0.59 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 1c54 h THR 16 CO 0.04 0.19 -0.06 -0.78 0.37 0.00 0.00 175.52 175.27 1c54 h ASP 17 N 0.38 -0.26 -0.05 4.18 1.82 -1.56 0.15 116.42 121.09 1c54 h ASP 17 Ca 0.09 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.81 1c54 h ASP 17 Cb 0.20 0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.39 1c54 h ASP 17 CO 0.00 -0.09 0.01 0.74 -1.61 0.00 0.00 179.24 178.29 1c54 h THR 18 N 0.01 1.19 -0.88 2.25 2.02 -1.53 0.20 112.91 116.17 1c54 h THR 18 Ca 0.15 -0.58 0.21 0.00 0.77 0.00 0.00 66.41 66.95 1c54 h THR 18 Cb 0.22 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 1c54 h THR 18 CO -0.31 0.16 0.59 -0.07 0.37 0.00 0.00 175.52 176.26 1c54 h LEU 19 N -0.14 0.35 -0.07 2.58 3.38 -1.33 0.95 115.31 121.03 1c54 h LEU 19 Ca 0.02 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1c54 h LEU 19 Cb 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1c54 h LEU 19 CO 0.00 0.14 -0.33 -1.13 0.09 0.00 0.00 178.44 177.21 1c54 h ASN 20 N 0.35 0.41 -0.14 -0.43 -0.73 -0.04 0.36 115.58 115.36 1c54 h ASN 20 Ca 0.45 -0.64 -0.05 0.00 1.87 0.00 0.00 56.30 57.93 1c54 h ASN 20 Cb 1.22 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.67 1c54 h ASN 20 CO -0.15 0.99 -0.05 -0.07 -0.37 0.00 0.00 177.43 177.78 1c54 h LEU 21 N -0.13 0.41 -0.25 0.34 3.38 0.16 0.85 115.31 120.06 1c54 h LEU 21 Ca -0.02 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1c54 h LEU 21 Cb 0.98 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1c54 h LEU 21 CO 0.07 0.51 -0.44 0.40 0.09 0.00 0.00 178.44 179.07 1c54 h ILE 22 N 0.41 1.30 -0.19 1.22 2.04 0.90 0.91 117.51 124.12 1c54 h ILE 22 Ca 0.09 -1.65 -0.13 0.00 1.00 0.00 0.00 64.86 64.17 1c54 h ILE 22 Cb 0.36 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1c54 h ILE 22 CO 0.02 0.52 -0.40 0.00 0.00 0.00 0.00 178.15 178.29 1c54 h ALA 23 N 0.65 0.30 -0.34 1.87 0.00 -0.33 -3.09 119.26 118.32 1c54 h ALA 23 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1c54 h ALA 23 Cb 1.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1c54 h ALA 23 CO 0.10 0.40 0.00 0.45 0.00 0.00 0.00 179.25 180.20 1c54 n SER 24 N -4.25 2.02 -4.19 0.00 2.88 0.29 -4.94 113.62 105.43 1c54 n SER 24 Ca -0.06 -1.93 -0.36 0.00 -1.33 0.00 0.00 58.87 55.19 1c54 n SER 24 Cb 0.54 -0.22 -0.05 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.59 -1.05 0.00 -3.46 2.03 0.26 -4.59 116.55 110.33 1c54 n ASP 25 Ca 0.14 -1.26 0.00 0.00 0.52 0.00 0.00 54.79 54.19 1c54 n ASP 25 Cb 0.34 -1.79 0.00 0.00 -0.72 0.00 0.00 41.12 38.95 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 -2.35 -1.23 3.75 0.27 0.00 0.29 -4.83 105.19 101.09 1c54 n GLY 26 Ca -0.25 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 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 -0.49 1.61 0.04 -1.26 -4.54 135.00 134.95 1c54 s PRO 27 Ca 0.00 1.83 -0.19 0.00 0.04 0.00 0.00 61.00 62.68 1c54 s PRO 27 Cb 0.00 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 31.38 1c54 s PRO 27 CO 0.00 0.10 0.58 -0.06 0.04 0.00 0.00 177.00 177.66 1c54 s PHE 28 N -0.75 3.08 0.02 0.56 0.08 -1.26 -4.95 117.98 114.76 1c54 s PHE 28 Ca 0.47 -0.50 -0.21 0.00 0.12 0.00 0.00 56.93 56.81 1c54 s PHE 28 Cb -0.32 -3.40 -0.16 0.00 -0.57 0.00 0.00 43.02 38.56 1c54 s PHE 28 CO 0.40 -0.95 1.28 -1.00 -0.10 0.00 0.00 175.22 174.84 1c54 h PRO 29 N 8.93 0.33 0.00 0.24 0.13 -2.01 -3.44 132.00 136.18 1c54 h PRO 29 Ca -0.27 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1c54 h PRO 29 Cb 1.10 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1c54 h PRO 29 CO 0.93 0.79 -0.03 2.48 -0.23 0.00 0.00 178.00 181.94 1c54 n TYR 30 N -4.52 0.00 -0.04 1.56 4.11 -1.26 -5.02 117.16 111.98 1c54 n TYR 30 Ca -0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 57.90 57.78 1c54 n TYR 30 Cb 0.41 0.23 0.00 0.00 -0.00 0.00 0.00 39.34 39.97 1c54 n TYR 30 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1c54 n SER 31 N 0.00 2.20 -3.42 9.48 7.64 -1.26 -4.68 113.62 123.58 1c54 n SER 31 Ca -0.03 -1.46 -0.24 0.00 1.01 0.00 0.00 58.87 58.15 1c54 n SER 31 Cb 0.23 -0.45 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 1c54 n SER 31 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1c54 n GLN 32 N 1.49 -0.86 -3.47 1.43 7.27 -1.26 0.90 117.38 122.88 1c54 n GLN 32 Ca 0.00 0.08 -0.22 0.00 0.07 0.00 0.00 57.00 56.93 1c54 n GLN 32 Cb 0.23 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 30.21 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 -2.75 5.01 0.00 1.69 1.47 -1.25 -3.90 116.67 116.94 1c54 s ASP 33 Ca 0.38 -0.88 0.00 0.00 1.18 0.00 0.00 52.55 53.23 1c54 s ASP 33 Cb -0.22 -0.09 0.00 0.00 -0.34 0.00 0.00 42.92 42.27 1c54 s ASP 33 CO 0.62 -0.96 0.00 0.61 0.68 0.00 0.00 175.17 176.12 1c54 n GLY 34 N -1.81 1.42 3.83 2.12 0.00 -1.25 -5.01 105.19 104.50 1c54 n GLY 34 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.77 5.09 0.50 1.61 -7.23 -1.26 -5.04 120.40 110.31 1c54 s VAL 35 Ca 0.00 -0.17 -0.18 0.00 -1.81 0.00 0.00 61.98 59.82 1c54 s VAL 35 Cb 0.00 -3.31 -0.08 0.00 0.56 0.00 0.00 36.38 33.55 1c54 s VAL 35 CO 0.00 0.43 0.99 -0.69 -0.31 0.00 0.00 175.10 175.52 1c54 s VAL 36 N -1.17 4.38 -0.43 1.32 1.01 -1.26 -1.87 120.40 122.38 1c54 s VAL 36 Ca 0.22 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.44 1c54 s VAL 36 Cb -0.12 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 32.75 1c54 s VAL 36 CO 0.12 -0.57 0.24 0.12 0.00 0.00 0.00 175.10 175.02 1c54 s PHE 37 N -2.48 1.76 -0.13 5.22 5.36 -0.56 -4.78 117.98 122.37 1c54 s PHE 37 Ca 0.60 -2.30 -0.04 0.00 -0.96 0.00 0.00 56.93 54.23 1c54 s PHE 37 Cb -0.11 -1.70 -0.16 0.00 -0.34 0.00 0.00 43.02 40.72 1c54 s PHE 37 CO 0.28 -0.79 2.43 0.94 -1.46 0.00 0.00 175.22 176.62 1c54 n GLN 38 N 3.57 1.39 -3.44 10.12 7.27 -1.26 -4.50 117.38 130.52 1c54 n GLN 38 Ca 0.10 -0.74 -0.16 0.00 0.07 0.00 0.00 57.00 56.27 1c54 n GLN 38 Cb 0.35 -1.90 -0.04 0.00 2.41 0.00 0.00 30.24 31.07 1c54 n GLN 38 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1c54 n ASN 39 N 2.86 0.10 0.30 1.69 6.94 -1.26 -4.69 115.26 121.20 1c54 n ASN 39 Ca 0.30 -0.61 0.19 0.00 -0.02 0.00 0.00 54.58 54.44 1c54 n ASN 39 Cb 0.52 -0.75 0.97 0.00 -2.36 0.00 0.00 39.78 38.16 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 -0.21 0.00 0.00 -3.83 -0.00 -2.00 0.72 114.38 109.06 1c54 h ARG 40 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.66 1c54 h ARG 40 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.63 1c54 h ARG 40 CO 0.32 0.00 0.00 0.39 -0.00 0.00 0.00 179.97 180.68 1c54 n GLU 41 N -3.25 0.32 -3.57 0.08 1.02 -1.26 -4.91 120.64 109.07 1c54 n GLU 41 Ca -0.01 0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 56.91 1c54 n GLU 41 Cb 0.25 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.33 -2.64 -0.00 1.62 2.88 0.25 -4.78 113.62 109.63 1c54 n SER 42 Ca 0.12 -0.48 0.04 0.00 -1.33 0.00 0.00 58.87 57.21 1c54 n SER 42 Cb 0.24 -2.24 -0.05 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 -3.71 0.00 -3.84 2.46 0.31 -1.26 -3.92 118.33 108.37 1c54 n VAL 43 Ca 0.03 -0.30 -0.31 0.00 -0.01 0.00 0.00 64.34 63.75 1c54 n VAL 43 Cb 0.51 1.00 -0.04 0.00 -0.91 0.00 0.00 33.84 34.40 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 -2.39 4.33 0.00 7.52 2.01 -1.26 -2.15 118.68 126.73 1c54 s LEU 44 Ca 0.03 0.37 0.00 0.00 0.01 0.00 0.00 54.13 54.55 1c54 s LEU 44 Cb 0.07 -3.08 0.00 0.00 0.01 0.00 0.00 46.19 43.19 1c54 s LEU 44 CO 0.36 0.13 0.00 -0.81 1.01 0.00 0.00 176.35 177.03 1c54 n PRO 45 N 0.19 1.13 0.00 1.29 -0.04 -1.26 -4.21 135.00 132.10 1c54 n PRO 45 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1c54 n PRO 45 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.49 0.00 0.00 0.52 -1.04 -1.26 -4.81 114.28 107.20 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 1.76 0.00 -1.16 -2.82 7.27 -1.26 -5.15 117.38 116.02 1c54 n GLN 47 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.68 1c54 n GLN 47 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 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 -1.79 -4.77 1.69 3.41 -1.26 -4.92 113.62 105.97 1c54 n SER 48 Ca 0.00 0.83 -0.38 0.00 -0.26 0.00 0.00 58.87 59.06 1c54 n SER 48 Cb 0.00 -0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 63.10 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 -1.16 3.66 0.00 7.33 6.14 -1.26 -4.05 117.35 128.01 1c54 s TYR 49 Ca 0.53 1.08 0.00 0.00 0.64 0.00 0.00 57.07 59.32 1c54 s TYR 49 Cb -0.67 -2.51 0.00 0.00 0.42 0.00 0.00 41.96 39.20 1c54 s TYR 49 CO 0.51 0.40 0.00 0.41 0.64 0.00 0.00 175.55 177.51 1c54 n GLY 50 N 2.43 3.04 0.12 8.97 0.00 -1.26 -4.81 105.19 113.68 1c54 n GLY 50 Ca -0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 0.64 -4.15 1.61 9.36 -1.26 -4.65 117.16 116.71 1c54 n TYR 51 Ca 0.00 0.29 -0.26 0.00 3.32 0.00 0.00 57.90 61.25 1c54 n TYR 51 Cb 0.00 -0.96 -0.07 0.00 -0.63 0.00 0.00 39.34 37.68 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 -3.35 2.98 0.14 2.98 1.51 -1.26 -2.08 117.35 118.27 1c54 s TYR 52 Ca 0.02 -0.09 -0.16 0.00 -1.01 0.00 0.00 57.07 55.82 1c54 s TYR 52 Cb 0.07 -1.43 0.03 0.00 -0.11 0.00 0.00 41.96 40.53 1c54 s TYR 52 CO 0.28 0.52 0.43 -1.01 -1.11 0.00 0.00 175.55 174.66 1c54 s HIS 53 N -1.78 -0.17 0.11 2.71 3.76 -0.82 -1.50 115.29 117.59 1c54 s HIS 53 Ca 0.29 -0.15 0.09 0.00 -0.15 0.00 0.00 55.06 55.15 1c54 s HIS 53 Cb -0.09 0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.84 1c54 s HIS 53 CO 0.21 -0.75 -0.19 -1.21 -0.85 0.00 0.00 174.74 171.94 1c54 s GLU 54 N -3.82 1.76 -0.49 1.40 8.01 -0.78 -1.81 118.70 122.95 1c54 s GLU 54 Ca 0.05 -1.18 0.07 0.00 0.01 0.00 0.00 54.97 53.92 1c54 s GLU 54 Cb 0.01 -2.09 0.19 0.00 -4.31 0.00 0.00 34.13 27.93 1c54 s GLU 54 CO -0.10 0.48 0.71 0.71 0.01 0.00 0.00 175.26 177.07 1c54 s TYR 55 N -1.10 -1.64 0.47 1.61 1.51 0.91 -3.79 117.35 115.31 1c54 s TYR 55 Ca 0.17 -0.37 -0.22 0.00 -1.01 0.00 0.00 57.07 55.64 1c54 s TYR 55 Cb -0.10 0.32 -0.10 0.00 -0.11 0.00 0.00 41.96 41.96 1c54 s TYR 55 CO 0.09 -1.26 0.73 2.41 -1.11 0.00 0.00 175.55 176.42 1c54 n THR 56 N 3.29 2.29 -0.89 -0.71 -1.04 0.26 -2.55 114.28 114.94 1c54 n THR 56 Ca 0.16 -0.50 0.08 0.00 -2.04 0.00 0.00 64.05 61.75 1c54 n THR 56 Cb 0.56 -0.83 0.32 0.00 -1.82 0.00 0.00 70.33 68.57 1c54 n THR 56 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1c54 n VAL 57 N -1.00 2.38 -0.99 12.58 0.24 -1.26 -4.64 118.33 125.63 1c54 n VAL 57 Ca 0.11 -1.59 0.13 0.00 -2.04 0.00 0.00 64.34 60.95 1c54 n VAL 57 Cb 0.42 -0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 1c54 n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1c54 n ILE 58 N 0.13 0.00 -3.68 1.34 3.06 -1.26 -4.06 119.36 114.89 1c54 n ILE 58 Ca 0.24 0.02 -0.14 0.00 -2.50 0.00 0.00 62.75 60.37 1c54 n ILE 58 Cb 0.99 -0.35 -0.08 0.00 0.54 0.00 0.00 39.64 40.73 1c54 n ILE 58 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1c54 s THR 59 N -1.91 -0.00 0.34 9.51 2.01 -1.26 -4.83 115.64 119.50 1c54 s THR 59 Ca 0.00 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1c54 s THR 59 Cb 0.00 -0.81 -0.09 0.00 0.01 0.00 0.00 72.50 71.61 1c54 s THR 59 CO 0.00 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 172.86 1c54 s PRO 60 N 0.31 4.38 -0.76 4.92 0.04 -1.26 -3.41 135.00 139.21 1c54 s PRO 60 Ca -0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1c54 s PRO 60 Cb -0.04 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1c54 s PRO 60 CO 0.01 0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1c54 n GLY 61 N 0.78 -0.24 3.32 0.56 0.00 -1.26 -4.86 105.19 103.49 1c54 n GLY 61 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 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 3.86 0.56 4.61 0.00 -1.22 -4.89 121.76 122.41 1c54 s ALA 62 Ca 0.00 -2.93 0.40 0.00 0.00 0.00 0.00 51.96 49.43 1c54 s ALA 62 Cb 0.00 -3.39 1.55 0.00 0.00 0.00 0.00 23.12 21.29 1c54 s ALA 62 CO 0.00 -2.15 1.68 0.00 0.00 0.00 0.00 175.76 175.29 1c54 h ARG 63 N 8.33 0.00 0.00 0.00 3.08 -1.90 -3.42 114.38 120.47 1c54 h ARG 63 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1c54 h ARG 63 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1c54 h ARG 63 CO 0.90 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 180.05 1c54 n THR 64 N -3.96 0.00 0.32 2.04 -2.24 -1.26 -5.00 114.28 104.19 1c54 n THR 64 Ca 0.31 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.17 1c54 n THR 64 Cb 1.52 -0.40 0.35 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.21 0.08 -0.62 -0.78 1.74 -1.26 -4.82 116.66 110.79 1c54 n ARG 65 Ca 0.00 0.41 0.08 0.00 -0.77 0.00 0.00 57.85 57.57 1c54 n ARG 65 Cb 0.00 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.72 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 -0.49 -2.57 0.14 -0.13 0.00 -1.26 -4.36 105.19 96.52 1c54 n GLY 66 Ca 0.02 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.60 0.00 -3.55 2.61 1.35 -1.92 -3.45 112.91 107.34 1c54 h THR 67 Ca -0.06 -0.39 -0.52 0.00 -0.55 0.00 0.00 66.41 64.89 1c54 h THR 67 Cb 0.59 1.26 0.05 0.00 -1.73 0.00 0.00 68.15 68.32 1c54 h THR 67 CO 0.03 0.00 0.69 -0.13 -0.25 0.00 0.00 175.52 175.86 1c54 s ARG 68 N -3.26 4.32 0.08 4.72 1.81 -1.26 0.74 118.95 126.09 1c54 s ARG 68 Ca 0.06 2.22 -0.24 0.00 -1.72 0.00 0.00 55.73 56.05 1c54 s ARG 68 Cb 0.10 -3.12 0.06 0.00 -0.45 0.00 0.00 34.95 31.55 1c54 s ARG 68 CO 0.50 -0.30 0.58 1.03 -0.68 0.00 0.00 175.30 176.42 1c54 s ARG 69 N -0.78 1.14 -0.00 3.54 1.81 -1.26 -4.31 118.95 119.09 1c54 s ARG 69 Ca 0.55 -0.25 0.04 0.00 -1.72 0.00 0.00 55.73 54.36 1c54 s ARG 69 Cb -0.40 0.53 -0.01 0.00 -0.45 0.00 0.00 34.95 34.62 1c54 s ARG 69 CO 0.45 -0.44 -0.13 0.42 -0.68 0.00 0.00 175.30 174.92 1c54 s ILE 70 N -2.77 1.02 -0.26 1.52 1.01 -1.06 -2.65 121.20 118.01 1c54 s ILE 70 Ca -0.04 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 1c54 s ILE 70 Cb -0.00 -0.87 0.08 0.00 0.01 0.00 0.00 42.46 41.67 1c54 s ILE 70 CO -0.04 0.24 0.02 -0.63 0.00 0.00 0.00 174.94 174.53 1c54 s ILE 71 N -0.39 1.19 0.31 2.92 -1.09 0.16 -0.06 121.20 124.23 1c54 s ILE 71 Ca 0.04 -1.24 0.04 0.00 -2.23 0.00 0.00 60.65 57.27 1c54 s ILE 71 Cb -0.05 -1.68 -0.02 0.00 -1.58 0.00 0.00 42.46 39.12 1c54 s ILE 71 CO -0.00 -0.34 0.45 0.42 -1.23 0.00 0.00 174.94 174.24 1c54 s THR 72 N 1.51 4.73 0.36 2.92 -4.23 -0.75 0.95 115.64 121.13 1c54 s THR 72 Ca 0.01 -0.88 0.08 0.00 -1.18 0.00 0.00 61.69 59.73 1c54 s THR 72 Cb -0.18 -3.67 -0.06 0.00 1.34 0.00 0.00 72.50 69.92 1c54 s THR 72 CO -0.12 -0.30 0.02 -0.83 -0.54 0.00 0.00 174.62 172.84 1c54 s GLY 73 N -4.07 2.22 0.54 3.99 0.00 -0.74 -1.95 107.32 107.31 1c54 s GLY 73 Ca 0.40 -2.07 0.36 0.00 0.00 0.00 0.00 44.72 43.41 1c54 s GLY 73 CO 0.31 -1.97 2.11 -2.09 0.00 0.00 0.00 173.10 171.47 1c54 h GLU 74 N 1.78 0.00 -5.27 2.90 4.57 -1.78 -3.39 114.58 113.38 1c54 h GLU 74 Ca -0.43 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.15 1c54 h GLU 74 Cb 1.25 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.71 1c54 h GLU 74 CO 0.71 0.00 -0.51 0.00 -1.18 0.00 0.00 179.01 178.03 1c54 s ALA 75 N -3.90 3.61 0.48 2.92 0.00 -1.26 -5.08 121.76 118.54 1c54 s ALA 75 Ca -0.03 -0.70 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 1c54 s ALA 75 Cb 0.11 -2.10 -0.07 0.00 0.00 0.00 0.00 23.12 21.05 1c54 s ALA 75 CO 0.36 0.17 1.41 2.41 0.00 0.00 0.00 175.76 180.11 1c54 n THR 76 N 3.52 3.11 -2.21 0.00 -1.04 -1.26 -3.31 114.28 113.08 1c54 n THR 76 Ca -0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1c54 n THR 76 Cb 0.52 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 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 -0.44 0.00 -2.60 -2.82 6.02 -1.26 -5.00 117.38 111.28 1c54 n GLN 77 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.93 1c54 n GLN 77 Cb 0.42 -2.79 0.03 0.00 1.02 0.00 0.00 30.24 28.92 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 -0.69 1.95 -3.44 -1.09 1.02 -1.21 -4.83 120.64 112.35 1c54 n GLU 78 Ca 0.00 -3.65 -0.44 0.00 -0.02 0.00 0.00 57.16 53.06 1c54 n GLU 78 Cb 0.48 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 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 -3.37 6.36 0.06 1.62 1.47 -1.25 -1.78 116.67 119.78 1c54 s ASP 79 Ca 0.34 -2.82 -0.30 0.00 1.18 0.00 0.00 52.55 50.94 1c54 s ASP 79 Cb 0.42 -2.11 -0.05 0.00 -0.34 0.00 0.00 42.92 40.84 1c54 s ASP 79 CO -0.03 -0.49 1.03 -0.31 0.68 0.00 0.00 175.17 176.05 1c54 s TYR 80 N -0.03 3.65 -0.10 2.11 2.02 0.27 -1.53 117.35 123.74 1c54 s TYR 80 Ca 0.19 1.64 0.02 0.00 -0.37 0.00 0.00 57.07 58.56 1c54 s TYR 80 Cb -0.13 -3.17 -0.01 0.00 -0.40 0.00 0.00 41.96 38.25 1c54 s TYR 80 CO -0.08 -0.25 -0.18 -0.47 -1.57 0.00 0.00 175.55 173.01 1c54 s TYR 81 N 0.61 2.67 0.00 2.71 6.14 -0.41 0.37 117.35 129.44 1c54 s TYR 81 Ca 0.52 -0.68 0.00 0.00 0.64 0.00 0.00 57.07 57.55 1c54 s TYR 81 Cb -0.24 -1.74 0.00 0.00 0.42 0.00 0.00 41.96 40.40 1c54 s TYR 81 CO 0.29 -0.20 0.00 -2.37 0.64 0.00 0.00 175.55 173.91 1c54 n THR 82 N 3.24 0.00 -1.38 4.34 5.66 -1.09 -1.12 114.28 123.93 1c54 n THR 82 Ca -0.18 0.39 -0.09 0.00 -3.05 0.00 0.00 64.05 61.11 1c54 n THR 82 Cb 0.53 -1.24 -0.04 0.00 -1.55 0.00 0.00 70.33 68.03 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 1.98 0.96 0.69 1.09 0.00 -1.25 -4.49 105.19 104.18 1c54 n GLY 83 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 0.46 -0.13 -2.91 1.61 8.00 -1.05 -4.59 116.55 117.94 1c54 n ASP 84 Ca -0.10 -1.50 -0.10 0.00 0.71 0.00 0.00 54.79 53.81 1c54 n ASP 84 Cb 0.34 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.45 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 0.04 -3.38 -3.85 1.24 -0.00 0.23 -3.88 115.22 105.63 1c54 n HIS 85 Ca -0.06 1.40 -0.24 0.00 0.46 0.00 0.00 57.72 59.28 1c54 n HIS 85 Cb 0.64 -3.68 0.01 0.00 -0.12 0.00 0.00 29.99 26.84 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 0.01 -1.83 -0.02 1.57 4.02 -1.26 -4.87 117.16 114.77 1c54 n TYR 86 Ca 0.06 0.81 -0.03 0.00 -0.01 0.00 0.00 57.90 58.73 1c54 n TYR 86 Cb 0.39 -4.02 -0.04 0.00 -0.02 0.00 0.00 39.34 35.64 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 -4.37 1.88 -2.85 -0.72 0.00 -1.25 -5.06 120.51 108.13 1c54 n ALA 87 Ca -0.26 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 1c54 n ALA 87 Cb 0.66 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 20.20 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 -2.12 0.00 -0.28 0.00 -4.23 -1.26 -5.06 115.64 102.70 1c54 s THR 88 Ca -0.03 -1.58 -0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1c54 s THR 88 Cb 0.01 -2.27 0.14 0.00 1.34 0.00 0.00 72.50 71.73 1c54 s THR 88 CO 0.20 -0.02 0.57 -0.36 -0.54 0.00 0.00 174.62 174.47 1c54 s PHE 89 N -4.06 -1.28 -0.14 3.99 0.08 -1.20 -3.42 117.98 111.95 1c54 s PHE 89 Ca 0.27 1.89 -0.03 0.00 0.12 0.00 0.00 56.93 59.18 1c54 s PHE 89 Cb 0.02 0.59 0.05 0.00 -0.57 0.00 0.00 43.02 43.10 1c54 s PHE 89 CO 0.09 -0.70 0.06 -1.12 -0.10 0.00 0.00 175.22 173.45 1c54 s SER 90 N 2.81 2.17 0.99 1.36 0.01 -0.28 -3.08 113.70 117.68 1c54 s SER 90 Ca 0.04 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 56.66 1c54 s SER 90 Cb -0.13 -0.34 -0.13 0.00 0.21 0.00 0.00 66.02 65.63 1c54 s SER 90 CO -0.18 -0.30 -0.69 0.18 0.41 0.00 0.00 173.24 172.66 1c54 n LEU 91 N 5.20 -5.20 -4.45 2.44 4.77 -0.87 -1.29 117.00 117.61 1c54 n LEU 91 Ca -0.07 0.19 -0.34 0.00 -0.03 0.00 0.00 56.01 55.76 1c54 n LEU 91 Cb 0.49 -0.80 -0.13 0.00 -2.33 0.00 0.00 43.42 40.65 1c54 n LEU 91 CO 0.10 -5.59 -0.37 -0.63 -1.33 0.00 0.00 177.39 169.57 1c54 s ILE 92 N -2.05 3.71 -0.66 -0.08 1.09 -0.58 0.12 121.20 122.75 1c54 s ILE 92 Ca 0.42 -0.41 -0.07 0.00 -1.10 0.00 0.00 60.65 59.48 1c54 s ILE 92 Cb -0.17 -2.63 0.17 0.00 -1.06 0.00 0.00 42.46 38.77 1c54 s ILE 92 CO 0.80 0.48 0.52 -0.62 -0.10 0.00 0.00 174.94 176.03 1c54 s ASP 93 N 0.55 5.78 0.51 3.58 -1.08 -0.28 -4.84 116.67 120.89 1c54 s ASP 93 Ca -0.04 -2.63 0.16 0.00 -0.52 0.00 0.00 52.55 49.52 1c54 s ASP 93 Cb -0.15 -1.99 1.24 0.00 -1.46 0.00 0.00 42.92 40.56 1c54 s ASP 93 CO 0.03 -0.49 2.14 1.56 0.52 0.00 0.00 175.17 178.92 1c54 h GLN 94 N 7.52 0.02 -0.57 4.34 7.50 -1.96 -0.28 115.11 131.68 1c54 h GLN 94 Ca -0.01 -0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.23 1c54 h GLN 94 Cb 1.00 -0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.49 1c54 h GLN 94 CO 0.75 0.02 0.39 0.00 -1.50 0.00 0.00 178.83 178.49 1c54 h THR 95 N 0.02 0.88 -0.00 -0.54 1.03 -1.98 -3.44 112.91 108.88 1c54 h THR 95 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 1c54 h THR 95 Cb 0.02 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 67.59 1c54 h THR 95 CO 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 175.52 175.58