#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 1.59 0.96 2.12 0.31 -1.26 -4.82 118.33 117.23 1c54 n VAL 2 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1c54 n VAL 2 Cb 0.00 -0.18 0.02 0.00 -0.91 0.00 0.00 33.84 32.77 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 1.83 1.16 0.00 4.52 7.64 -0.11 -4.96 113.62 123.71 1c54 n SER 3 Ca 0.17 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 58.01 1c54 n SER 3 Cb 0.23 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 0.05 -3.00 3.95 0.23 0.00 -1.26 -4.97 105.19 100.18 1c54 n GLY 4 Ca 0.01 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.52 2.14 -0.19 2.61 2.01 -1.26 -1.26 115.64 119.18 1c54 s THR 5 Ca 0.00 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 1c54 s THR 5 Cb 0.00 -2.88 0.10 0.00 0.01 0.00 0.00 72.50 69.73 1c54 s THR 5 CO 0.00 0.00 0.32 0.54 -0.69 0.00 0.00 174.62 174.79 1c54 s VAL 6 N -3.43 -0.50 0.02 3.82 0.11 0.24 -4.70 120.40 115.95 1c54 s VAL 6 Ca 0.66 0.08 -0.37 0.00 -2.93 0.00 0.00 61.98 59.42 1c54 s VAL 6 Cb -0.07 -0.64 -0.17 0.00 -1.53 0.00 0.00 36.38 33.97 1c54 s VAL 6 CO 0.47 -0.02 1.41 0.00 -3.33 0.00 0.00 175.10 173.63 1c54 h LEU 8 N 5.02 0.50 -0.68 0.00 6.46 -1.62 0.27 115.31 125.26 1c54 h LEU 8 Ca -0.48 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1c54 h LEU 8 Cb 1.33 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 1c54 h LEU 8 CO 0.81 -0.03 0.00 -0.24 -0.62 0.00 0.00 178.44 178.36 1c54 n SER 9 N -4.85 0.65 0.12 1.25 2.88 -1.24 -1.67 113.62 110.75 1c54 n SER 9 Ca 0.30 0.66 -0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1c54 n SER 9 Cb 0.96 -0.80 -0.02 0.00 -0.75 0.00 0.00 64.21 63.61 1c54 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c54 h ALA 10 N 2.28 0.59 -1.84 -1.46 0.00 -0.80 -3.46 119.26 114.56 1c54 h ALA 10 Ca 0.00 -0.59 -0.44 0.00 0.00 0.00 0.00 54.91 53.89 1c54 h ALA 10 Cb 0.36 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.11 1c54 h ALA 10 CO 0.00 0.80 -0.04 -0.51 0.00 0.00 0.00 179.25 179.49 1c54 s LEU 11 N -6.50 3.30 1.05 0.00 1.43 -0.67 -5.02 118.68 112.27 1c54 s LEU 11 Ca 0.03 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 1c54 s LEU 11 Cb 0.08 -2.87 0.22 0.00 0.03 0.00 0.00 46.19 43.65 1c54 s LEU 11 CO 0.77 -1.11 1.07 -2.16 0.23 0.00 0.00 176.35 175.15 1c54 s PRO 12 N -4.74 -0.03 0.51 1.29 0.04 -1.26 -4.93 135.00 125.88 1c54 s PRO 12 Ca 0.57 0.63 0.30 0.00 0.04 0.00 0.00 61.00 62.54 1c54 s PRO 12 Cb -0.10 -1.67 1.25 0.00 0.04 0.00 0.00 34.50 34.01 1c54 s PRO 12 CO 0.38 -3.07 1.95 -1.00 0.04 0.00 0.00 177.00 175.30 1c54 h PRO 13 N -2.14 0.00 0.00 0.56 0.13 -1.96 -2.36 132.00 126.22 1c54 h PRO 13 Ca -0.57 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1c54 h PRO 13 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1c54 h PRO 13 CO 0.55 0.10 -0.33 0.39 -0.23 0.00 0.00 178.00 178.48 1c54 n GLU 14 N -3.26 0.01 -0.08 0.86 1.02 -1.26 -3.23 120.64 114.70 1c54 n GLU 14 Ca 0.00 0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 1c54 n GLU 14 Cb 0.33 -1.51 0.09 0.00 -0.02 0.00 0.00 31.44 30.33 1c54 n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1c54 h ALA 15 N 2.98 0.87 -0.50 0.62 0.00 -1.67 -2.96 119.26 118.60 1c54 h ALA 15 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1c54 h ALA 15 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1c54 h ALA 15 CO 0.00 0.63 -0.18 0.00 0.00 0.00 0.00 179.25 179.70 1c54 h THR 16 N 0.67 1.27 -0.86 0.00 1.03 -1.66 -3.21 112.91 110.14 1c54 h THR 16 Ca 0.09 -1.34 0.23 0.00 -0.01 0.00 0.00 66.41 65.38 1c54 h THR 16 Cb 0.74 1.07 -0.14 0.00 -1.07 0.00 0.00 68.15 68.76 1c54 h THR 16 CO 0.06 0.47 0.22 -0.78 -0.01 0.00 0.00 175.52 175.47 1c54 h ASP 17 N 0.87 -0.02 0.12 0.00 3.58 -1.59 -0.04 116.42 119.34 1c54 h ASP 17 Ca 0.12 0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 1c54 h ASP 17 Cb 0.76 0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1c54 h ASP 17 CO 0.06 -0.15 -0.06 0.74 -2.88 0.00 0.00 179.24 176.95 1c54 h THR 18 N 0.21 1.02 -1.01 2.25 2.02 -1.61 -0.37 112.91 115.40 1c54 h THR 18 Ca 0.54 -0.59 0.27 0.00 0.77 0.00 0.00 66.41 67.39 1c54 h THR 18 Cb 1.06 1.39 -0.07 0.00 -1.74 0.00 0.00 68.15 68.80 1c54 h THR 18 CO -0.65 0.14 0.69 -0.07 0.37 0.00 0.00 175.52 176.00 1c54 h LEU 19 N -0.45 0.25 -0.07 2.58 3.38 -1.12 0.60 115.31 120.48 1c54 h LEU 19 Ca -0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1c54 h LEU 19 Cb 0.36 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1c54 h LEU 19 CO 0.03 0.06 -0.09 0.78 0.09 0.00 0.00 178.44 179.31 1c54 h ASN 20 N 0.23 0.20 -0.31 -0.43 2.35 -0.45 0.50 115.58 117.68 1c54 h ASN 20 Ca 0.53 -0.51 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1c54 h ASN 20 Cb 1.64 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.93 1c54 h ASN 20 CO -0.15 0.67 0.11 -0.07 -1.65 0.00 0.00 177.43 176.34 1c54 h LEU 21 N -0.27 0.49 -0.24 1.61 3.38 0.12 0.75 115.31 121.16 1c54 h LEU 21 Ca 0.01 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1c54 h LEU 21 Cb 0.62 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1c54 h LEU 21 CO 0.02 0.48 -0.23 0.40 0.09 0.00 0.00 178.44 179.20 1c54 h ILE 22 N 0.53 1.32 -0.35 1.22 5.03 0.08 0.49 117.51 125.83 1c54 h ILE 22 Ca 0.13 -1.39 -0.07 0.00 -0.12 0.00 0.00 64.86 63.40 1c54 h ILE 22 Cb 0.17 1.68 -0.01 0.00 -3.03 0.00 0.00 36.82 35.64 1c54 h ILE 22 CO -0.01 0.43 -0.06 0.00 -0.68 0.00 0.00 178.15 177.83 1c54 h ALA 23 N 0.67 0.48 -0.02 1.87 0.00 -0.26 -2.68 119.26 119.32 1c54 h ALA 23 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1c54 h ALA 23 Cb 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1c54 h ALA 23 CO 0.06 0.31 0.00 0.45 0.00 0.00 0.00 179.25 180.07 1c54 n SER 24 N -4.43 0.82 -3.51 0.00 2.88 0.26 -4.92 113.62 104.73 1c54 n SER 24 Ca -0.02 -1.30 -0.24 0.00 -1.33 0.00 0.00 58.87 55.97 1c54 n SER 24 Cb 0.32 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.76 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 -0.34 -2.98 0.00 -3.46 -0.08 0.18 -4.62 116.55 105.26 1c54 n ASP 25 Ca 0.21 -0.46 0.00 0.00 -1.51 0.00 0.00 54.79 53.03 1c54 n ASP 25 Cb 0.24 -2.50 0.00 0.00 2.34 0.00 0.00 41.12 41.20 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 -1.07 0.30 3.74 0.27 0.00 0.15 -4.80 105.19 103.78 1c54 n GLY 26 Ca 0.02 -2.31 -0.41 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.23 4.52 -0.62 1.61 0.04 -1.26 -4.71 135.00 134.35 1c54 s PRO 27 Ca 0.00 1.85 -0.25 0.00 0.04 0.00 0.00 61.00 62.64 1c54 s PRO 27 Cb 0.00 -3.24 0.05 0.00 0.04 0.00 0.00 34.50 31.35 1c54 s PRO 27 CO 0.00 -0.03 1.04 -0.06 0.04 0.00 0.00 177.00 177.99 1c54 s PHE 28 N -0.22 2.65 0.17 0.56 0.08 -1.26 -4.92 117.98 115.02 1c54 s PHE 28 Ca 0.51 -0.13 -0.05 0.00 0.12 0.00 0.00 56.93 57.39 1c54 s PHE 28 Cb -0.32 -4.29 0.04 0.00 -0.57 0.00 0.00 43.02 37.88 1c54 s PHE 28 CO 0.37 -1.59 1.45 -1.00 -0.10 0.00 0.00 175.22 174.34 1c54 h PRO 29 N 9.54 0.57 -7.53 0.24 0.13 -1.99 -3.45 132.00 129.51 1c54 h PRO 29 Ca -0.27 -0.41 -0.47 0.00 -0.87 0.00 0.00 66.00 63.98 1c54 h PRO 29 Cb 1.07 0.06 0.11 0.00 0.13 0.00 0.00 31.00 32.37 1c54 h PRO 29 CO 1.16 1.02 0.36 -0.47 -0.23 0.00 0.00 178.00 179.84 1c54 s TYR 30 N -3.86 2.81 -0.46 1.56 6.14 -1.26 -5.00 117.35 117.28 1c54 s TYR 30 Ca -0.08 0.88 0.16 0.00 0.64 0.00 0.00 57.07 58.67 1c54 s TYR 30 Cb 0.11 -3.36 0.61 0.00 0.42 0.00 0.00 41.96 39.73 1c54 s TYR 30 CO 0.85 -1.93 1.52 0.43 0.64 0.00 0.00 175.55 177.06 1c54 n SER 31 N -3.47 4.36 -0.66 4.32 7.64 -1.26 -4.45 113.62 120.11 1c54 n SER 31 Ca 0.07 -2.77 0.06 0.00 1.01 0.00 0.00 58.87 57.25 1c54 n SER 31 Cb 0.59 -0.54 0.18 0.00 -1.01 0.00 0.00 64.21 63.43 1c54 n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c54 n GLN 32 N 0.18 2.84 -3.81 1.43 6.02 -1.26 -4.92 117.38 117.86 1c54 n GLN 32 Ca 0.22 -2.32 -0.29 0.00 -0.01 0.00 0.00 57.00 54.61 1c54 n GLN 32 Cb 0.91 -1.47 -0.16 0.00 1.02 0.00 0.00 30.24 30.54 1c54 n GLN 32 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1c54 s ASP 33 N -1.41 3.50 0.00 1.08 1.47 -1.25 -2.13 116.67 117.93 1c54 s ASP 33 Ca 0.29 -1.14 0.00 0.00 1.18 0.00 0.00 52.55 52.87 1c54 s ASP 33 Cb 0.20 -0.86 0.00 0.00 -0.34 0.00 0.00 42.92 41.92 1c54 s ASP 33 CO 0.12 -0.31 0.00 0.61 0.68 0.00 0.00 175.17 176.27 1c54 n GLY 34 N 4.87 0.37 3.86 2.12 0.00 -1.18 -4.94 105.19 110.29 1c54 n GLY 34 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.35 4.99 0.61 1.61 -7.23 -1.26 -4.98 120.40 112.80 1c54 s VAL 35 Ca 0.00 0.57 -0.13 0.00 -1.81 0.00 0.00 61.98 60.60 1c54 s VAL 35 Cb 0.00 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.23 1c54 s VAL 35 CO 0.00 0.21 1.04 -0.69 -0.31 0.00 0.00 175.10 175.35 1c54 s VAL 36 N -1.49 4.25 -0.38 1.32 1.01 -1.26 -0.65 120.40 123.20 1c54 s VAL 36 Ca 0.37 0.88 0.01 0.00 0.00 0.00 0.00 61.98 63.24 1c54 s VAL 36 Cb -0.14 -3.58 0.15 0.00 0.00 0.00 0.00 36.38 32.81 1c54 s VAL 36 CO 0.19 -0.81 0.25 0.12 0.00 0.00 0.00 175.10 174.85 1c54 s PHE 37 N -2.85 0.98 -0.02 5.22 5.36 -0.90 -4.58 117.98 121.19 1c54 s PHE 37 Ca 0.59 -1.91 -0.04 0.00 -0.96 0.00 0.00 56.93 54.61 1c54 s PHE 37 Cb -0.13 -1.04 -0.17 0.00 -0.34 0.00 0.00 43.02 41.34 1c54 s PHE 37 CO 0.46 -0.82 2.47 0.94 -1.46 0.00 0.00 175.22 176.80 1c54 n GLN 38 N 3.66 1.28 -3.59 10.12 7.27 -1.26 -4.43 117.38 130.42 1c54 n GLN 38 Ca 0.16 -0.64 -0.18 0.00 0.07 0.00 0.00 57.00 56.41 1c54 n GLN 38 Cb 0.39 -1.83 -0.02 0.00 2.41 0.00 0.00 30.24 31.20 1c54 n GLN 38 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1c54 n ASN 39 N 2.71 -0.55 0.29 1.69 5.15 -1.26 -4.73 115.26 118.56 1c54 n ASN 39 Ca 0.27 -0.62 0.19 0.00 -0.60 0.00 0.00 54.58 53.82 1c54 n ASN 39 Cb 0.57 -0.75 0.97 0.00 -0.53 0.00 0.00 39.78 40.04 1c54 n ASN 39 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1c54 h ARG 40 N -0.04 0.00 -0.00 1.20 -0.00 -2.00 0.30 114.38 113.84 1c54 h ARG 40 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.65 1c54 h ARG 40 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.64 1c54 h ARG 40 CO 0.30 0.00 -0.04 0.39 -0.00 0.00 0.00 179.97 180.62 1c54 n GLU 41 N -3.26 0.26 -3.97 0.08 1.02 -1.26 -4.93 120.64 108.57 1c54 n GLU 41 Ca -0.01 -0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.79 1c54 n GLU 41 Cb 0.25 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.55 -0.00 1.62 2.88 0.11 -4.79 113.62 109.54 1c54 n SER 42 Ca 0.11 -0.80 0.03 0.00 -1.33 0.00 0.00 58.87 56.88 1c54 n SER 42 Cb 0.29 -2.15 -0.04 0.00 -0.75 0.00 0.00 64.21 61.55 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 -3.94 0.00 -2.89 2.46 0.31 -1.26 -5.01 118.33 108.00 1c54 n VAL 43 Ca 0.07 -0.21 -0.28 0.00 -0.01 0.00 0.00 64.34 63.91 1c54 n VAL 43 Cb 0.48 0.57 -0.01 0.00 -0.91 0.00 0.00 33.84 33.97 1c54 n VAL 43 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1c54 s LEU 44 N -3.06 3.79 0.00 7.52 2.01 -1.26 -4.12 118.68 123.57 1c54 s LEU 44 Ca -0.01 0.88 0.00 0.00 0.01 0.00 0.00 54.13 55.02 1c54 s LEU 44 Cb 0.04 -3.79 0.00 0.00 0.01 0.00 0.00 46.19 42.45 1c54 s LEU 44 CO 0.25 -0.44 0.00 -0.81 1.01 0.00 0.00 176.35 176.37 1c54 n PRO 45 N -1.75 0.99 0.00 1.29 -0.04 -1.26 -4.84 135.00 129.38 1c54 n PRO 45 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1c54 n PRO 45 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.48 0.00 0.00 0.52 -1.04 -1.26 -4.86 114.28 107.16 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 14.00 0.00 -1.12 -2.82 7.27 -1.26 -5.15 117.38 128.29 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 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 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 -0.94 -4.74 1.69 3.41 -1.26 -4.91 113.62 106.87 1c54 n SER 48 Ca 0.00 0.90 -0.39 0.00 -0.26 0.00 0.00 58.87 59.12 1c54 n SER 48 Cb 0.00 -0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 63.14 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 -0.75 3.64 0.00 7.33 6.14 -1.26 -4.01 117.35 128.44 1c54 s TYR 49 Ca 0.52 1.25 0.00 0.00 0.64 0.00 0.00 57.07 59.48 1c54 s TYR 49 Cb -0.76 -2.72 0.00 0.00 0.42 0.00 0.00 41.96 38.90 1c54 s TYR 49 CO 0.45 0.22 0.00 0.41 0.64 0.00 0.00 175.55 177.27 1c54 n GLY 50 N 2.75 3.04 0.33 8.97 0.00 -1.26 -4.81 105.19 114.20 1c54 n GLY 50 Ca -0.04 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.73 1.61 3.20 -1.93 -3.42 116.97 114.70 1c54 h TYR 51 Ca 0.00 0.00 -0.47 0.00 3.14 0.00 0.00 58.73 61.40 1c54 h TYR 51 Cb 0.00 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1c54 h TYR 51 CO 0.00 0.00 -0.39 0.71 -1.64 0.00 0.00 178.16 176.84 1c54 s TYR 52 N -4.11 2.90 0.11 -3.82 1.51 -1.26 -1.21 117.35 111.47 1c54 s TYR 52 Ca -0.05 -0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 55.42 1c54 s TYR 52 Cb 0.12 -1.98 0.07 0.00 -0.11 0.00 0.00 41.96 40.07 1c54 s TYR 52 CO 0.39 0.01 0.91 -1.01 -1.11 0.00 0.00 175.55 174.74 1c54 s HIS 53 N -2.31 -0.22 0.03 2.71 3.76 -1.02 -2.12 115.29 116.11 1c54 s HIS 53 Ca 0.45 -0.03 0.07 0.00 -0.15 0.00 0.00 55.06 55.40 1c54 s HIS 53 Cb -0.07 0.61 -0.02 0.00 1.11 0.00 0.00 32.58 34.21 1c54 s HIS 53 CO 0.29 -0.75 -0.21 -1.21 -0.85 0.00 0.00 174.74 172.01 1c54 s GLU 54 N -3.28 1.47 -0.48 1.40 2.02 0.18 -2.74 118.70 117.26 1c54 s GLU 54 Ca 0.09 -0.88 0.06 0.00 0.02 0.00 0.00 54.97 54.27 1c54 s GLU 54 Cb -0.01 -1.53 0.23 0.00 0.10 0.00 0.00 34.13 32.92 1c54 s GLU 54 CO -0.02 0.40 0.81 0.66 0.02 0.00 0.00 175.26 177.13 1c54 n TYR 55 N 2.06 -3.12 -1.43 1.61 4.02 0.13 -3.10 117.16 117.34 1c54 n TYR 55 Ca -0.17 -1.88 -0.43 0.00 -0.01 0.00 0.00 57.90 55.42 1c54 n TYR 55 Cb 0.53 1.35 -0.00 0.00 -0.02 0.00 0.00 39.34 41.20 1c54 n TYR 55 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1c54 n THR 56 N 1.91 1.61 -3.27 -0.72 -1.04 -1.20 -3.20 114.28 108.37 1c54 n THR 56 Ca 0.12 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.22 1c54 n THR 56 Cb 0.60 -0.39 -0.08 0.00 -1.82 0.00 0.00 70.33 68.64 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 -1.38 5.04 0.87 12.58 -7.23 -1.25 -4.83 120.40 124.20 1c54 s VAL 57 Ca 0.62 0.14 -0.16 0.00 -1.81 0.00 0.00 61.98 60.77 1c54 s VAL 57 Cb -0.68 -3.97 -0.11 0.00 0.56 0.00 0.00 36.38 32.18 1c54 s VAL 57 CO 0.59 -0.26 -0.36 -0.38 -0.31 0.00 0.00 175.10 174.38 1c54 n ILE 58 N 5.43 0.19 -3.69 -0.62 5.41 -1.26 -4.82 119.36 119.99 1c54 n ILE 58 Ca -0.06 -0.44 -0.14 0.00 1.00 0.00 0.00 62.75 63.11 1c54 n ILE 58 Cb 0.49 -0.17 -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 -2.05 0.01 0.36 1.39 2.01 -1.26 -4.58 115.64 111.53 1c54 s THR 59 Ca 0.48 -0.10 -0.26 0.00 0.31 0.00 0.00 61.69 62.13 1c54 s THR 59 Cb -0.26 -0.71 -0.09 0.00 0.01 0.00 0.00 72.50 71.45 1c54 s THR 59 CO 0.75 -0.05 1.07 -2.16 -0.69 0.00 0.00 174.62 173.54 1c54 s PRO 60 N -0.26 4.29 -1.66 4.92 0.04 -1.26 -3.16 135.00 137.91 1c54 s PRO 60 Ca -0.04 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1c54 s PRO 60 Cb -0.03 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1c54 s PRO 60 CO 0.03 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1c54 n GLY 61 N 0.63 1.13 3.53 0.56 0.00 -1.26 -4.87 105.19 104.91 1c54 n GLY 61 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.47 2.90 0.55 4.61 0.00 -1.19 -4.83 121.76 121.33 1c54 s ALA 62 Ca 0.00 -2.41 0.48 0.00 0.00 0.00 0.00 51.96 50.03 1c54 s ALA 62 Cb 0.00 -4.40 1.71 0.00 0.00 0.00 0.00 23.12 20.42 1c54 s ALA 62 CO 0.00 -3.45 1.60 0.00 0.00 0.00 0.00 175.76 173.91 1c54 h ARG 63 N 9.50 0.00 0.00 0.00 3.08 -1.90 -3.42 114.38 121.64 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 1.35 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 180.50 1c54 n THR 64 N -4.02 0.00 1.71 2.04 -2.24 -1.26 -5.02 114.28 105.49 1c54 n THR 64 Ca 0.42 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.36 1c54 n THR 64 Cb 1.91 0.00 0.79 0.00 -2.10 0.00 0.00 70.33 70.93 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 0.92 -1.42 -0.78 1.74 -1.26 -4.92 116.66 110.94 1c54 n ARG 65 Ca 0.00 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1c54 n ARG 65 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 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 1.13 -4.35 0.40 -0.13 0.00 -1.26 -4.58 105.19 96.41 1c54 n GLY 66 Ca 0.20 -0.78 0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 1.17 0.49 -2.13 2.61 1.35 -1.93 -3.42 112.91 111.05 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 0.20 0.64 0.05 0.00 -1.73 0.00 0.00 68.15 67.31 1c54 h THR 67 CO 0.00 0.00 0.82 0.54 -0.25 0.00 0.00 175.52 176.63 1c54 n ARG 68 N -3.98 2.01 -3.89 4.72 1.74 -1.26 0.08 116.66 116.08 1c54 n ARG 68 Ca 0.10 0.73 -0.11 0.00 -0.77 0.00 0.00 57.85 57.80 1c54 n ARG 68 Cb 0.70 -2.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.54 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 1.60 0.46 -0.02 5.56 1.81 -1.26 -3.89 118.95 123.20 1c54 s ARG 69 Ca 0.83 -0.43 0.07 0.00 -1.72 0.00 0.00 55.73 54.48 1c54 s ARG 69 Cb -0.73 0.19 -0.02 0.00 -0.45 0.00 0.00 34.95 33.94 1c54 s ARG 69 CO 0.43 -0.11 -0.23 0.42 -0.68 0.00 0.00 175.30 175.13 1c54 s ILE 70 N -1.39 1.81 -0.22 1.52 1.01 -1.19 -2.27 121.20 120.47 1c54 s ILE 70 Ca -0.15 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.49 1c54 s ILE 70 Cb -0.08 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 40.95 1c54 s ILE 70 CO 0.01 0.50 0.02 -0.63 0.00 0.00 0.00 174.94 174.85 1c54 s ILE 71 N -0.55 0.77 0.30 2.92 -1.09 0.11 -0.69 121.20 122.97 1c54 s ILE 71 Ca 0.09 -0.79 0.07 0.00 -2.23 0.00 0.00 60.65 57.78 1c54 s ILE 71 Cb -0.09 -1.26 -0.02 0.00 -1.58 0.00 0.00 42.46 39.50 1c54 s ILE 71 CO -0.01 -0.24 0.34 0.42 -1.23 0.00 0.00 174.94 174.22 1c54 s THR 72 N 1.73 4.26 0.43 2.92 -4.23 -1.11 0.80 115.64 120.44 1c54 s THR 72 Ca -0.01 -1.18 0.07 0.00 -1.18 0.00 0.00 61.69 59.39 1c54 s THR 72 Cb -0.17 -3.44 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 1c54 s THR 72 CO -0.10 -0.24 0.15 -0.83 -0.54 0.00 0.00 174.62 173.06 1c54 s GLY 73 N -4.01 2.43 0.43 3.99 0.00 -0.82 -2.43 107.32 106.90 1c54 s GLY 73 Ca 0.39 -1.95 0.30 0.00 0.00 0.00 0.00 44.72 43.45 1c54 s GLY 73 CO 0.28 -1.97 1.90 -2.09 0.00 0.00 0.00 173.10 171.21 1c54 h GLU 74 N 1.44 0.00 -5.26 2.90 4.57 -1.53 -3.39 114.58 113.31 1c54 h GLU 74 Ca -0.43 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.14 1c54 h GLU 74 Cb 1.26 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.70 1c54 h GLU 74 CO 0.72 0.00 -0.54 0.00 -1.18 0.00 0.00 179.01 178.01 1c54 s ALA 75 N -3.64 3.50 0.57 2.92 0.00 -1.26 -5.09 121.76 118.76 1c54 s ALA 75 Ca -0.01 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 1c54 s ALA 75 Cb 0.09 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1c54 s ALA 75 CO 0.36 0.13 1.32 0.99 0.00 0.00 0.00 175.76 178.56 1c54 s THR 76 N 0.44 2.17 0.00 0.00 2.01 -1.26 -3.45 115.64 115.55 1c54 s THR 76 Ca 0.05 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.17 1c54 s THR 76 Cb -0.12 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1c54 s THR 76 CO -0.00 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.92 1c54 n GLN 77 N -1.26 0.00 -2.64 4.92 6.02 -1.26 -4.99 117.38 118.17 1c54 n GLN 77 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.98 1c54 n GLN 77 Cb 0.46 -3.24 0.02 0.00 1.02 0.00 0.00 30.24 28.51 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 -0.92 1.62 -3.47 -1.09 1.02 -1.22 -4.80 120.64 111.77 1c54 n GLU 78 Ca 0.00 -3.53 -0.42 0.00 -0.02 0.00 0.00 57.16 53.19 1c54 n GLU 78 Cb 0.48 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.40 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 -3.19 6.54 0.15 1.62 1.47 -1.25 -1.95 116.67 120.06 1c54 s ASP 79 Ca 0.32 -3.33 -0.31 0.00 1.18 0.00 0.00 52.55 50.41 1c54 s ASP 79 Cb 0.44 -2.08 -0.08 0.00 -0.34 0.00 0.00 42.92 40.86 1c54 s ASP 79 CO -0.01 -0.33 1.39 -0.31 0.68 0.00 0.00 175.17 176.58 1c54 s TYR 80 N -0.80 3.21 -0.09 2.11 2.02 0.24 -1.84 117.35 122.20 1c54 s TYR 80 Ca 0.25 1.00 0.04 0.00 -0.37 0.00 0.00 57.07 57.99 1c54 s TYR 80 Cb -0.11 -3.69 0.00 0.00 -0.40 0.00 0.00 41.96 37.76 1c54 s TYR 80 CO -0.09 -2.36 -0.21 -0.47 -1.57 0.00 0.00 175.55 170.85 1c54 s TYR 81 N 0.76 2.28 -0.04 2.71 6.14 -0.18 0.04 117.35 129.06 1c54 s TYR 81 Ca 0.63 -0.90 -0.01 0.00 0.64 0.00 0.00 57.07 57.42 1c54 s TYR 81 Cb -0.38 -1.55 -0.00 0.00 0.42 0.00 0.00 41.96 40.45 1c54 s TYR 81 CO 0.33 -0.37 -0.03 0.00 0.64 0.00 0.00 175.55 176.12 1c54 h THR 82 N 5.72 0.00 -0.77 4.34 1.03 -1.51 -0.13 112.91 121.59 1c54 h THR 82 Ca -0.23 -0.31 -0.22 0.00 -0.01 0.00 0.00 66.41 65.64 1c54 h THR 82 Cb 1.22 0.00 -0.07 0.00 -1.07 0.00 0.00 68.15 68.23 1c54 h THR 82 CO 0.47 0.00 -0.22 0.61 -0.01 0.00 0.00 175.52 176.37 1c54 n GLY 83 N 1.82 0.92 0.75 2.99 0.00 -1.26 -4.59 105.19 105.82 1c54 n GLY 83 Ca -0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.35 -2.70 1.61 8.00 -1.25 -4.53 116.55 117.47 1c54 n ASP 84 Ca -0.12 -1.52 -0.05 0.00 0.71 0.00 0.00 54.79 53.81 1c54 n ASP 84 Cb 0.42 0.09 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 0.03 -3.37 -4.03 1.24 -0.00 0.11 -3.87 115.22 105.33 1c54 n HIS 85 Ca -0.11 1.40 -0.33 0.00 -0.00 0.00 0.00 57.72 58.68 1c54 n HIS 85 Cb 0.63 -3.87 -0.02 0.00 -0.00 0.00 0.00 29.99 26.73 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 -0.01 -1.74 0.16 1.57 4.01 -1.26 -4.81 117.16 115.08 1c54 n TYR 86 Ca 0.08 0.71 0.11 0.00 -0.16 0.00 0.00 57.90 58.63 1c54 n TYR 86 Cb 0.29 -2.84 -0.16 0.00 -0.31 0.00 0.00 39.34 36.32 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 -4.15 3.13 -3.84 -0.72 0.00 -1.25 -5.04 120.51 108.64 1c54 n ALA 87 Ca 0.06 -0.53 -0.05 0.00 0.00 0.00 0.00 53.44 52.92 1c54 n ALA 87 Cb 0.50 -0.75 0.01 0.00 0.00 0.00 0.00 19.45 19.20 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 -3.43 0.00 -0.30 0.00 -4.23 -1.26 -5.06 115.64 101.36 1c54 s THR 88 Ca -0.05 -0.78 -0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1c54 s THR 88 Cb 0.14 -2.70 0.16 0.00 1.34 0.00 0.00 72.50 71.44 1c54 s THR 88 CO 0.90 0.00 0.63 -0.36 -0.54 0.00 0.00 174.62 175.25 1c54 s PHE 89 N -2.50 -1.46 -0.17 3.99 0.08 -1.24 -3.60 117.98 113.08 1c54 s PHE 89 Ca 0.17 2.07 -0.03 0.00 0.12 0.00 0.00 56.93 59.26 1c54 s PHE 89 Cb -0.04 0.71 0.06 0.00 -0.57 0.00 0.00 43.02 43.17 1c54 s PHE 89 CO 0.07 -0.76 0.04 -1.12 -0.10 0.00 0.00 175.22 173.35 1c54 s SER 90 N 2.88 2.63 0.99 1.36 0.01 -0.06 -0.93 113.70 120.58 1c54 s SER 90 Ca 0.06 -0.68 -0.16 0.00 1.31 0.00 0.00 55.95 56.47 1c54 s SER 90 Cb -0.13 -0.52 -0.13 0.00 0.21 0.00 0.00 66.02 65.45 1c54 s SER 90 CO -0.20 -0.30 -0.65 0.18 0.41 0.00 0.00 173.24 172.68 1c54 n LEU 91 N 5.10 -5.30 -4.47 2.44 4.77 -0.39 -1.02 117.00 118.14 1c54 n LEU 91 Ca -0.08 0.20 -0.35 0.00 -0.03 0.00 0.00 56.01 55.75 1c54 n LEU 91 Cb 0.48 -0.82 -0.12 0.00 -2.33 0.00 0.00 43.42 40.63 1c54 n LEU 91 CO 0.12 -5.74 -0.31 -0.63 -1.33 0.00 0.00 177.39 169.50 1c54 s ILE 92 N -2.05 4.16 -0.79 -0.08 1.09 -0.77 0.79 121.20 123.56 1c54 s ILE 92 Ca 0.42 -0.24 -0.18 0.00 -1.10 0.00 0.00 60.65 59.56 1c54 s ILE 92 Cb -0.19 -2.90 0.15 0.00 -1.06 0.00 0.00 42.46 38.46 1c54 s ILE 92 CO 0.81 0.41 0.89 -0.62 -0.10 0.00 0.00 174.94 176.32 1c54 s ASP 93 N 1.10 6.51 0.25 3.58 2.15 0.50 -4.83 116.67 125.93 1c54 s ASP 93 Ca 0.03 -2.00 -0.04 0.00 0.43 0.00 0.00 52.55 50.97 1c54 s ASP 93 Cb -0.14 -2.32 0.41 0.00 -0.30 0.00 0.00 42.92 40.57 1c54 s ASP 93 CO 0.02 -0.95 1.80 1.56 -0.17 0.00 0.00 175.17 177.43 1c54 h GLN 94 N 8.67 0.74 -0.71 4.34 4.20 -1.96 -1.20 115.11 129.18 1c54 h GLN 94 Ca -0.01 -0.04 0.21 0.00 0.06 0.00 0.00 58.65 58.86 1c54 h GLN 94 Cb 1.05 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 1c54 h GLN 94 CO 1.01 0.49 0.51 0.00 -0.67 0.00 0.00 178.83 180.17 1c54 h THR 95 N 0.76 0.65 -0.01 -0.54 1.03 -1.98 -3.43 112.91 109.39 1c54 h THR 95 Ca 0.40 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.80 1c54 h THR 95 Cb 0.40 0.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.11 1c54 h THR 95 CO -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.25