#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 0.17 1.51 2.12 0.31 -1.26 -4.84 118.33 116.35 1c54 n VAL 2 Ca 0.00 -0.03 0.04 0.00 -0.01 0.00 0.00 64.34 64.34 1c54 n VAL 2 Cb 0.00 -1.62 0.25 0.00 -0.91 0.00 0.00 33.84 31.55 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 4.35 0.00 0.00 4.52 7.64 -1.06 -4.96 113.62 124.11 1c54 n SER 3 Ca 0.19 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1c54 n SER 3 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.34 0.40 3.99 0.23 0.00 -1.26 -5.07 105.19 103.82 1c54 n GLY 4 Ca 0.06 -2.28 -0.20 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.15 2.78 -0.16 2.61 2.01 -1.26 -1.67 115.64 119.80 1c54 s THR 5 Ca 0.00 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 1c54 s THR 5 Cb 0.00 -2.99 0.05 0.00 0.01 0.00 0.00 72.50 69.58 1c54 s THR 5 CO 0.00 0.00 0.06 0.54 -0.69 0.00 0.00 174.62 174.53 1c54 s VAL 6 N -2.61 0.19 0.08 3.82 0.11 0.28 -4.74 120.40 117.53 1c54 s VAL 6 Ca 0.57 -0.23 -0.36 0.00 -2.93 0.00 0.00 61.98 59.02 1c54 s VAL 6 Cb -0.10 -0.71 -0.16 0.00 -1.53 0.00 0.00 36.38 33.88 1c54 s VAL 6 CO 0.36 -0.16 1.40 0.00 -3.33 0.00 0.00 175.10 173.37 1c54 h LEU 8 N 4.93 0.33 -1.38 0.00 6.46 0.61 0.62 115.31 126.88 1c54 h LEU 8 Ca -0.47 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.23 1c54 h LEU 8 Cb 1.32 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 1c54 h LEU 8 CO 0.80 0.20 -0.30 -1.28 -0.62 0.00 0.00 178.44 177.24 1c54 h SER 9 N 0.37 0.00 1.47 1.25 0.87 -1.81 -1.11 113.55 114.59 1c54 h SER 9 Ca 0.25 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1c54 h SER 9 Cb 0.49 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1c54 h SER 9 CO -0.06 0.30 -0.06 0.00 -0.53 0.00 0.00 176.83 176.48 1c54 h ALA 10 N 1.70 0.98 -2.32 6.23 0.00 -1.22 -3.45 119.26 121.18 1c54 h ALA 10 Ca -0.00 -0.05 -0.50 0.00 0.00 0.00 0.00 54.91 54.36 1c54 h ALA 10 Cb 0.60 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.42 1c54 h ALA 10 CO 0.04 0.07 0.28 -0.51 0.00 0.00 0.00 179.25 179.13 1c54 s LEU 11 N -6.28 3.47 0.96 0.00 1.43 -0.42 -5.00 118.68 112.84 1c54 s LEU 11 Ca 0.04 1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 1c54 s LEU 11 Cb 0.07 -4.22 0.16 0.00 0.03 0.00 0.00 46.19 42.23 1c54 s LEU 11 CO 0.62 -0.69 1.09 -2.16 0.23 0.00 0.00 176.35 175.44 1c54 s PRO 12 N -4.79 0.77 0.43 1.29 0.04 -1.26 -4.91 135.00 126.57 1c54 s PRO 12 Ca 0.52 0.71 0.30 0.00 0.04 0.00 0.00 61.00 62.57 1c54 s PRO 12 Cb -0.11 -1.76 1.31 0.00 0.04 0.00 0.00 34.50 33.99 1c54 s PRO 12 CO 0.46 -2.55 1.89 -1.00 0.04 0.00 0.00 177.00 175.84 1c54 h PRO 13 N -1.77 0.00 0.00 0.56 0.13 -1.97 -1.56 132.00 127.39 1c54 h PRO 13 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1c54 h PRO 13 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1c54 h PRO 13 CO 0.55 0.00 -0.53 -0.85 -0.23 0.00 0.00 178.00 176.95 1c54 n GLU 14 N -2.68 0.22 0.02 0.86 0.00 -1.26 -4.06 120.64 113.74 1c54 n GLU 14 Ca 0.01 0.08 -0.12 0.00 0.00 0.00 0.00 57.16 57.12 1c54 n GLU 14 Cb 0.23 -1.65 -0.08 0.00 0.00 0.00 0.00 31.44 29.94 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 2.62 0.01 -0.24 -1.84 0.00 -1.54 -2.11 119.26 116.17 1c54 h ALA 15 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1c54 h ALA 15 Cb 0.69 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1c54 h ALA 15 CO 0.00 -0.42 0.25 0.00 0.00 0.00 0.00 179.25 179.08 1c54 h THR 16 N -0.13 0.50 0.55 0.00 1.03 -1.70 -2.56 112.91 110.60 1c54 h THR 16 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 1c54 h THR 16 Cb 0.14 0.81 -0.01 0.00 -1.07 0.00 0.00 68.15 68.01 1c54 h THR 16 CO -0.00 0.00 -0.38 -0.78 -0.01 0.00 0.00 175.52 174.35 1c54 h ASP 17 N 0.00 -0.99 -0.22 0.00 3.58 -1.54 0.19 116.42 117.44 1c54 h ASP 17 Ca 0.12 0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.66 1c54 h ASP 17 Cb 0.61 0.30 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 1c54 h ASP 17 CO -0.00 -0.58 0.03 0.74 -2.88 0.00 0.00 179.24 176.55 1c54 h THR 18 N -0.90 0.88 -0.71 2.25 2.02 -1.51 -0.59 112.91 114.35 1c54 h THR 18 Ca -0.06 -0.04 0.10 0.00 0.77 0.00 0.00 66.41 67.18 1c54 h THR 18 Cb 0.75 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 1c54 h THR 18 CO 0.03 0.02 0.47 -0.07 0.37 0.00 0.00 175.52 176.34 1c54 h LEU 19 N 0.11 0.51 -0.59 2.58 3.38 -1.46 0.21 115.31 120.05 1c54 h LEU 19 Ca 0.10 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1c54 h LEU 19 Cb 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1c54 h LEU 19 CO -0.15 0.30 -0.17 -1.13 0.09 0.00 0.00 178.44 177.39 1c54 h ASN 20 N 0.56 0.96 0.00 -0.43 -0.73 0.39 0.11 115.58 116.44 1c54 h ASN 20 Ca 0.33 -0.34 -0.11 0.00 1.87 0.00 0.00 56.30 58.05 1c54 h ASN 20 Cb 0.53 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 1c54 h ASN 20 CO -0.11 1.11 -0.34 -0.07 -0.37 0.00 0.00 177.43 177.64 1c54 h LEU 21 N 0.83 0.49 -0.53 0.34 3.38 0.60 0.71 115.31 121.14 1c54 h LEU 21 Ca 0.12 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1c54 h LEU 21 Cb 0.72 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1c54 h LEU 21 CO 0.06 0.80 -0.31 0.40 0.09 0.00 0.00 178.44 179.47 1c54 h ILE 22 N 0.40 1.28 -0.04 1.22 5.03 -0.16 0.34 117.51 125.59 1c54 h ILE 22 Ca 0.05 -1.47 -0.03 0.00 -0.12 0.00 0.00 64.86 63.28 1c54 h ILE 22 Cb 0.79 1.31 0.00 0.00 -3.03 0.00 0.00 36.82 35.89 1c54 h ILE 22 CO 0.06 0.49 -0.08 0.00 -0.68 0.00 0.00 178.15 177.94 1c54 h ALA 23 N 0.92 0.07 -0.12 1.87 0.00 -0.44 -3.18 119.26 118.37 1c54 h ALA 23 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1c54 h ALA 23 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1c54 h ALA 23 CO 0.08 -0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1c54 n SER 24 N -4.69 0.98 -3.61 0.00 7.64 0.25 -4.90 113.62 109.28 1c54 n SER 24 Ca -0.08 -1.70 -0.25 0.00 1.01 0.00 0.00 58.87 57.84 1c54 n SER 24 Cb 0.34 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 1c54 n SER 24 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1c54 n ASP 25 N -0.09 -2.54 0.00 6.43 2.03 0.04 -4.53 116.55 117.89 1c54 n ASP 25 Ca 0.13 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.92 1c54 n ASP 25 Cb 0.20 -2.16 0.00 0.00 -0.72 0.00 0.00 41.12 38.44 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 -1.01 -1.39 3.76 0.27 0.00 0.99 -4.84 105.19 102.96 1c54 n GLY 26 Ca 0.04 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 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 4.66 -0.02 1.61 0.04 -1.26 -4.82 135.00 135.21 1c54 s PRO 27 Ca 0.00 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 1c54 s PRO 27 Cb 0.00 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 1c54 s PRO 27 CO 0.00 0.23 0.51 -0.06 0.04 0.00 0.00 177.00 177.72 1c54 s PHE 28 N -1.14 3.67 -0.05 0.56 0.40 -1.26 -4.94 117.98 115.23 1c54 s PHE 28 Ca 0.44 1.07 -0.09 0.00 -0.60 0.00 0.00 56.93 57.75 1c54 s PHE 28 Cb -0.31 -2.49 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 1c54 s PHE 28 CO 0.40 0.42 0.42 -1.00 0.70 0.00 0.00 175.22 176.16 1c54 h PRO 29 N 5.51 -0.32 -7.28 0.24 0.13 -1.99 -3.46 132.00 124.84 1c54 h PRO 29 Ca -0.46 0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.17 1c54 h PRO 29 Cb 1.20 0.07 0.18 0.00 0.13 0.00 0.00 31.00 32.58 1c54 h PRO 29 CO 0.68 -0.21 0.26 0.71 -0.23 0.00 0.00 178.00 179.21 1c54 s TYR 30 N -2.63 1.93 -2.00 1.56 1.51 -1.26 -4.92 117.35 111.53 1c54 s TYR 30 Ca -0.05 1.72 0.03 0.00 -1.01 0.00 0.00 57.07 57.76 1c54 s TYR 30 Cb 0.00 -3.26 0.15 0.00 -0.11 0.00 0.00 41.96 38.74 1c54 s TYR 30 CO 0.15 -2.50 1.10 0.43 -1.11 0.00 0.00 175.55 173.62 1c54 n SER 31 N -3.95 0.10 -4.25 2.29 7.64 -1.26 -4.53 113.62 109.66 1c54 n SER 31 Ca 0.11 -1.93 -0.43 0.00 1.01 0.00 0.00 58.87 57.63 1c54 n SER 31 Cb 0.52 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.48 3.42 -3.64 1.43 6.02 -1.26 -4.93 117.38 117.95 1c54 n GLN 32 Ca 0.02 -4.48 -0.04 0.00 -0.01 0.00 0.00 57.00 52.50 1c54 n GLN 32 Cb 0.02 -2.51 -0.05 0.00 1.02 0.00 0.00 30.24 28.72 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 0.65 -0.10 0.00 1.08 -4.77 -1.25 -3.29 116.67 108.99 1c54 s ASP 33 Ca 0.30 0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.70 1c54 s ASP 33 Cb -0.08 0.13 0.00 0.00 -1.09 0.00 0.00 42.92 41.88 1c54 s ASP 33 CO -0.07 -0.07 0.00 0.61 0.70 0.00 0.00 175.17 176.34 1c54 n GLY 34 N 0.99 0.63 3.32 2.12 0.00 -1.26 -5.08 105.19 105.91 1c54 n GLY 34 Ca -0.05 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 1.96 0.43 1.61 -7.23 -1.26 -5.07 120.40 108.83 1c54 s VAL 35 Ca 0.00 -1.42 -0.13 0.00 -1.81 0.00 0.00 61.98 58.63 1c54 s VAL 35 Cb 0.00 -1.70 -0.07 0.00 0.56 0.00 0.00 36.38 35.16 1c54 s VAL 35 CO 0.00 0.21 0.83 -0.69 -0.31 0.00 0.00 175.10 175.14 1c54 s VAL 36 N -0.89 4.70 -0.41 1.32 1.01 -1.26 -1.47 120.40 123.40 1c54 s VAL 36 Ca 0.10 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.93 1c54 s VAL 36 Cb -0.10 -3.71 0.15 0.00 0.00 0.00 0.00 36.38 32.72 1c54 s VAL 36 CO 0.03 -0.52 0.28 0.12 0.00 0.00 0.00 175.10 175.00 1c54 s PHE 37 N -2.39 1.22 -0.15 5.22 5.36 -0.26 -4.70 117.98 122.28 1c54 s PHE 37 Ca 0.54 -2.10 -0.03 0.00 -0.96 0.00 0.00 56.93 54.38 1c54 s PHE 37 Cb -0.10 -1.17 -0.11 0.00 -0.34 0.00 0.00 43.02 41.29 1c54 s PHE 37 CO 0.29 -0.81 1.96 0.94 -1.46 0.00 0.00 175.22 176.15 1c54 n GLN 38 N 3.42 1.09 -3.57 10.12 0.00 -1.26 -4.50 117.38 122.68 1c54 n GLN 38 Ca 0.18 -0.63 -0.15 0.00 -0.00 0.00 0.00 57.00 56.40 1c54 n GLN 38 Cb 0.40 -1.86 -0.01 0.00 0.00 0.00 0.00 30.24 28.77 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 3.06 -0.71 0.09 1.69 5.15 -1.26 -4.72 115.26 118.56 1c54 n ASN 39 Ca 0.23 -0.49 0.18 0.00 -0.60 0.00 0.00 54.58 53.90 1c54 n ASN 39 Cb 0.37 -0.60 0.73 0.00 -0.53 0.00 0.00 39.78 39.75 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 0.51 0.00 0.00 1.20 -0.00 -1.97 0.33 114.38 114.45 1c54 h ARG 40 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.22 1c54 h ARG 40 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.50 1c54 h ARG 40 CO 0.23 0.00 0.00 0.39 0.00 0.00 0.00 179.97 180.59 1c54 n GLU 41 N -4.17 0.07 -4.23 0.04 1.02 -1.26 -4.92 120.64 107.18 1c54 n GLU 41 Ca 0.06 0.19 -0.35 0.00 -0.02 0.00 0.00 57.16 57.04 1c54 n GLU 41 Cb 0.48 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.72 -2.06 -0.01 1.62 2.88 0.12 -4.83 113.62 109.62 1c54 n SER 42 Ca 0.05 -1.07 0.05 0.00 -1.33 0.00 0.00 58.87 56.57 1c54 n SER 42 Cb 0.27 -2.53 -0.09 0.00 -0.75 0.00 0.00 64.21 61.11 1c54 n SER 42 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1c54 n VAL 43 N -4.36 0.07 -3.26 2.46 0.31 -1.26 -4.90 118.33 107.39 1c54 n VAL 43 Ca -0.04 -0.30 -0.34 0.00 -0.01 0.00 0.00 64.34 63.65 1c54 n VAL 43 Cb 0.55 0.14 -0.06 0.00 -0.91 0.00 0.00 33.84 33.55 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 -3.94 4.23 -0.59 7.52 2.01 -1.26 -2.38 118.68 124.26 1c54 s LEU 44 Ca -0.05 1.17 -0.06 0.00 0.01 0.00 0.00 54.13 55.20 1c54 s LEU 44 Cb 0.07 -3.64 -0.15 0.00 0.01 0.00 0.00 46.19 42.49 1c54 s LEU 44 CO 0.51 -0.03 2.77 -0.81 1.01 0.00 0.00 176.35 179.80 1c54 n PRO 45 N 0.28 2.20 0.00 1.29 -0.04 -1.26 -4.63 135.00 132.84 1c54 n PRO 45 Ca -0.01 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1c54 n PRO 45 Cb 0.52 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 3.20 0.00 0.00 0.52 -1.04 -1.26 -5.09 114.28 110.60 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 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 -1.18 -2.82 7.27 -1.26 -4.99 117.38 114.40 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 -0.00 0.00 2.41 0.00 0.00 30.24 32.65 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 -2.50 -4.65 1.69 3.41 -1.26 -4.74 113.62 105.56 1c54 n SER 48 Ca 0.00 0.75 -0.35 0.00 -0.26 0.00 0.00 58.87 59.01 1c54 n SER 48 Cb 0.00 -0.80 -0.09 0.00 -0.26 0.00 0.00 64.21 63.06 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 -1.48 3.29 0.00 7.33 5.04 -1.26 -4.32 117.35 125.95 1c54 s TYR 49 Ca 0.54 0.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 1c54 s TYR 49 Cb -0.59 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 39.60 1c54 s TYR 49 CO 0.56 0.16 0.00 0.41 -1.34 0.00 0.00 175.55 175.35 1c54 n GLY 50 N 3.64 3.03 0.00 8.97 0.00 -1.26 -4.81 105.19 114.75 1c54 n GLY 50 Ca -0.16 0.00 0.05 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 -2.00 0.00 -4.45 1.61 4.19 -1.26 -4.71 117.16 110.54 1c54 n TYR 51 Ca 0.00 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 60.99 1c54 n TYR 51 Cb 0.00 -0.45 -0.10 0.00 0.49 0.00 0.00 39.34 39.27 1c54 n TYR 51 CO 0.00 0.00 0.00 0.71 0.91 0.00 0.00 176.86 178.48 1c54 s TYR 52 N -2.91 2.10 0.07 2.98 1.51 -1.26 0.12 117.35 119.95 1c54 s TYR 52 Ca 0.06 -0.52 -0.26 0.00 -1.01 0.00 0.00 57.07 55.35 1c54 s TYR 52 Cb 0.07 -1.07 0.07 0.00 -0.11 0.00 0.00 41.96 40.92 1c54 s TYR 52 CO 0.19 0.49 0.62 -1.01 -1.11 0.00 0.00 175.55 174.73 1c54 s HIS 53 N -2.77 -0.57 -0.03 2.71 3.76 -0.69 -1.10 115.29 116.61 1c54 s HIS 53 Ca 0.29 0.63 0.02 0.00 -0.15 0.00 0.00 55.06 55.84 1c54 s HIS 53 Cb -0.00 0.48 -0.03 0.00 1.11 0.00 0.00 32.58 34.14 1c54 s HIS 53 CO 0.13 -0.74 -0.07 -1.21 -0.85 0.00 0.00 174.74 172.00 1c54 s GLU 54 N -2.69 2.64 -0.46 1.40 2.02 -0.54 -1.61 118.70 119.45 1c54 s GLU 54 Ca -0.04 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.37 1c54 s GLU 54 Cb -0.01 -2.54 0.27 0.00 0.10 0.00 0.00 34.13 31.95 1c54 s GLU 54 CO -0.04 0.63 0.89 0.66 0.02 0.00 0.00 175.26 177.43 1c54 n TYR 55 N 1.85 -2.71 -1.55 1.61 4.01 -0.29 -3.84 117.16 116.24 1c54 n TYR 55 Ca -0.16 -2.16 -0.60 0.00 -0.16 0.00 0.00 57.90 54.81 1c54 n TYR 55 Cb 0.53 1.25 -0.09 0.00 -0.31 0.00 0.00 39.34 40.72 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 1.24 0.00 -2.71 -0.72 -1.04 -1.21 -3.56 114.28 106.29 1c54 n THR 56 Ca 0.11 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.69 1c54 n THR 56 Cb 0.64 -0.32 -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 1.92 4.48 0.55 12.58 0.11 -1.26 -4.85 120.40 133.92 1c54 s VAL 57 Ca 0.93 1.38 -0.18 0.00 -2.93 0.00 0.00 61.98 61.18 1c54 s VAL 57 Cb -1.32 -4.42 -0.14 0.00 -1.53 0.00 0.00 36.38 28.97 1c54 s VAL 57 CO 0.69 -0.62 -0.08 -0.38 -3.33 0.00 0.00 175.10 171.38 1c54 n ILE 58 N 6.13 0.30 -3.73 7.04 -0.00 -1.26 -4.67 119.36 123.17 1c54 n ILE 58 Ca 0.10 -0.50 -0.13 0.00 -0.00 0.00 0.00 62.75 62.23 1c54 n ILE 58 Cb 0.48 -0.10 -0.10 0.00 -0.00 0.00 0.00 39.64 39.92 1c54 n ILE 58 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1c54 s THR 59 N -1.97 -0.01 0.54 1.39 2.01 -1.26 -4.62 115.64 111.73 1c54 s THR 59 Ca 0.57 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 62.41 1c54 s THR 59 Cb -0.47 -0.56 -0.06 0.00 0.01 0.00 0.00 72.50 71.42 1c54 s THR 59 CO 0.66 0.01 1.08 -2.16 -0.69 0.00 0.00 174.62 173.52 1c54 s PRO 60 N 0.47 3.45 -1.80 4.92 0.04 -1.26 -3.39 135.00 137.44 1c54 s PRO 60 Ca -0.02 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1c54 s PRO 60 Cb -0.04 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1c54 s PRO 60 CO -0.02 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.70 1c54 n GLY 61 N -0.27 1.48 3.40 0.56 0.00 -1.26 -4.89 105.19 104.22 1c54 n GLY 61 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.48 3.82 0.54 4.61 0.00 -1.22 -4.86 121.76 122.17 1c54 s ALA 62 Ca 0.00 -3.14 0.42 0.00 0.00 0.00 0.00 51.96 49.24 1c54 s ALA 62 Cb 0.00 -3.85 1.62 0.00 0.00 0.00 0.00 23.12 20.89 1c54 s ALA 62 CO 0.00 -2.65 1.70 0.00 0.00 0.00 0.00 175.76 174.80 1c54 h ARG 63 N 8.05 0.02 0.00 0.00 3.08 -1.90 -3.43 114.38 120.19 1c54 h ARG 63 Ca 0.17 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 1c54 h ARG 63 Cb 0.99 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1c54 h ARG 63 CO 1.00 0.01 -0.04 0.25 -1.07 0.00 0.00 179.97 180.12 1c54 n THR 64 N -4.12 0.00 -0.33 2.04 -2.24 -1.26 -5.01 114.28 103.36 1c54 n THR 64 Ca 0.34 -0.22 0.36 0.00 -2.27 0.00 0.00 64.05 62.27 1c54 n THR 64 Cb 1.58 0.09 0.74 0.00 -2.10 0.00 0.00 70.33 70.64 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 -2.66 -0.78 3.08 -1.97 -3.47 114.38 108.58 1c54 h ARG 65 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1c54 h ARG 65 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1c54 h ARG 65 CO 0.04 0.00 -0.69 0.41 -1.07 0.00 0.00 179.97 178.67 1c54 n GLY 66 N -1.76 -3.77 0.65 0.04 0.00 -1.26 -4.42 105.19 94.66 1c54 n GLY 66 Ca 0.26 -0.96 0.46 0.00 0.00 0.00 0.00 46.02 45.78 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 0.25 0.14 -0.61 2.61 1.35 -1.91 -3.42 112.91 111.32 1c54 h THR 67 Ca 0.00 0.00 -0.75 0.00 -0.55 0.00 0.00 66.41 65.11 1c54 h THR 67 Cb 0.60 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1c54 h THR 67 CO 0.00 0.00 0.78 0.54 -0.25 0.00 0.00 175.52 176.59 1c54 n ARG 68 N -3.98 0.00 -3.66 4.72 5.12 -1.26 -0.93 116.66 116.68 1c54 n ARG 68 Ca 0.37 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 56.18 1c54 n ARG 68 Cb 1.74 -1.32 -0.08 0.00 -1.16 0.00 0.00 32.46 31.63 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 3.46 0.68 -0.03 5.56 1.81 -1.26 -4.25 118.95 124.92 1c54 s ARG 69 Ca 0.97 0.99 0.04 0.00 -1.72 0.00 0.00 55.73 56.00 1c54 s ARG 69 Cb -1.32 0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 33.37 1c54 s ARG 69 CO 0.68 -0.12 -0.13 0.42 -0.68 0.00 0.00 175.30 175.47 1c54 s ILE 70 N 0.95 3.15 -0.19 1.52 1.01 -1.23 -1.96 121.20 124.45 1c54 s ILE 70 Ca -0.05 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 1c54 s ILE 70 Cb -0.05 -2.26 0.05 0.00 0.01 0.00 0.00 42.46 40.20 1c54 s ILE 70 CO -0.08 0.54 -0.06 -0.63 0.00 0.00 0.00 174.94 174.70 1c54 s ILE 71 N -0.79 1.29 0.31 2.92 -1.09 -1.19 -1.14 121.20 121.51 1c54 s ILE 71 Ca 0.13 -0.81 0.06 0.00 -2.23 0.00 0.00 60.65 57.79 1c54 s ILE 71 Cb -0.11 -1.47 -0.02 0.00 -1.58 0.00 0.00 42.46 39.29 1c54 s ILE 71 CO 0.02 0.09 0.41 0.42 -1.23 0.00 0.00 174.94 174.65 1c54 s THR 72 N 1.54 4.27 0.34 2.92 -4.23 -0.64 0.64 115.64 120.49 1c54 s THR 72 Ca -0.01 -1.06 0.09 0.00 -1.18 0.00 0.00 61.69 59.53 1c54 s THR 72 Cb -0.16 -3.47 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 1c54 s THR 72 CO -0.08 -0.20 0.05 -0.83 -0.54 0.00 0.00 174.62 173.02 1c54 s GLY 73 N -4.10 2.03 0.46 3.99 0.00 -0.67 -1.71 107.32 107.33 1c54 s GLY 73 Ca 0.42 -1.92 0.32 0.00 0.00 0.00 0.00 44.72 43.54 1c54 s GLY 73 CO 0.30 -1.86 1.96 -2.09 0.00 0.00 0.00 173.10 171.41 1c54 h GLU 74 N 1.73 0.00 -5.23 2.90 4.57 -0.64 -3.39 114.58 114.51 1c54 h GLU 74 Ca -0.43 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.13 1c54 h GLU 74 Cb 1.25 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.67 1c54 h GLU 74 CO 0.66 0.00 -0.58 0.00 -1.18 0.00 0.00 179.01 177.91 1c54 s ALA 75 N -3.72 3.33 0.50 2.92 0.00 -1.26 -5.09 121.76 118.44 1c54 s ALA 75 Ca -0.01 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 1c54 s ALA 75 Cb 0.09 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.23 1c54 s ALA 75 CO 0.37 0.09 1.11 2.41 0.00 0.00 0.00 175.76 179.73 1c54 n THR 76 N 3.73 3.10 -1.89 0.00 -1.04 -1.26 -3.39 114.28 113.54 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 0.52 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 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 -2.64 -2.82 6.02 -1.26 -4.99 117.38 111.25 1c54 n GLN 77 Ca 0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.99 1c54 n GLN 77 Cb 0.43 -2.83 0.03 0.00 1.02 0.00 0.00 30.24 28.89 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 -0.84 1.80 -3.37 -1.09 1.02 -1.22 -4.82 120.64 112.12 1c54 n GLU 78 Ca 0.00 -3.56 -0.46 0.00 -0.02 0.00 0.00 57.16 53.12 1c54 n GLU 78 Cb 0.44 -1.56 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 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 -3.41 6.70 1.35 1.62 1.47 -1.25 -1.67 116.67 121.49 1c54 s ASP 79 Ca 0.32 -2.85 -0.21 0.00 1.18 0.00 0.00 52.55 50.99 1c54 s ASP 79 Cb 0.41 -2.18 0.33 0.00 -0.34 0.00 0.00 42.92 41.14 1c54 s ASP 79 CO -0.01 -0.51 0.77 -1.22 0.68 0.00 0.00 175.17 174.88 1c54 n TYR 80 N 3.73 -3.15 -3.37 2.11 4.01 0.21 -1.05 117.16 119.64 1c54 n TYR 80 Ca 0.15 -0.56 -0.01 0.00 -0.16 0.00 0.00 57.90 57.33 1c54 n TYR 80 Cb 0.45 -1.40 -0.04 0.00 -0.31 0.00 0.00 39.34 38.04 1c54 n TYR 80 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1c54 s TYR 81 N -2.14 -1.34 0.00 -0.72 5.04 -0.85 -3.14 117.35 114.20 1c54 s TYR 81 Ca 0.61 1.76 0.00 0.00 -2.44 0.00 0.00 57.07 57.00 1c54 s TYR 81 Cb -0.13 0.54 0.00 0.00 0.35 0.00 0.00 41.96 42.72 1c54 s TYR 81 CO 0.54 -0.76 0.00 -2.37 -1.34 0.00 0.00 175.55 171.62 1c54 n THR 82 N 5.42 0.00 -0.46 4.34 5.66 -0.83 -0.90 114.28 127.52 1c54 n THR 82 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1c54 n THR 82 Cb 0.50 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 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 2.52 1.96 0.08 1.09 0.00 -1.24 -4.56 105.19 105.04 1c54 n GLY 83 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 2.27 -2.80 1.61 9.92 -1.25 -4.07 116.55 122.24 1c54 n ASP 84 Ca 0.00 -3.06 -0.03 0.00 -0.53 0.00 0.00 54.79 51.17 1c54 n ASP 84 Cb 0.00 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1c54 n ASP 84 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1c54 n HIS 85 N -1.39 -3.64 -4.09 1.24 -0.00 -0.10 -3.95 115.22 103.28 1c54 n HIS 85 Ca 0.15 1.57 -0.33 0.00 0.46 0.00 0.00 57.72 59.58 1c54 n HIS 85 Cb 0.64 -3.84 -0.01 0.00 -0.12 0.00 0.00 29.99 26.66 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 0.44 -1.91 -0.04 1.57 4.02 -1.26 -4.84 117.16 115.13 1c54 n TYR 86 Ca 0.03 0.83 -0.05 0.00 -0.01 0.00 0.00 57.90 58.70 1c54 n TYR 86 Cb 0.17 -3.38 -0.06 0.00 -0.02 0.00 0.00 39.34 36.06 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 -4.48 1.81 -2.25 -0.72 0.00 -1.25 -5.07 120.51 108.55 1c54 n ALA 87 Ca 0.02 -0.48 -0.14 0.00 0.00 0.00 0.00 53.44 52.84 1c54 n ALA 87 Cb 0.52 0.14 -0.10 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.19 0.49 -0.28 0.00 -4.23 -1.26 -5.04 115.64 103.13 1c54 s THR 88 Ca -0.06 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.45 1c54 s THR 88 Cb 0.03 -2.30 0.17 0.00 1.34 0.00 0.00 72.50 71.73 1c54 s THR 88 CO 0.29 -0.28 0.52 -0.36 -0.54 0.00 0.00 174.62 174.25 1c54 s PHE 89 N -3.79 -1.32 -0.26 3.99 0.08 -1.12 -3.36 117.98 112.20 1c54 s PHE 89 Ca 0.30 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.75 1c54 s PHE 89 Cb 0.07 0.37 0.07 0.00 -0.57 0.00 0.00 43.02 42.96 1c54 s PHE 89 CO 0.07 -0.82 0.01 -1.12 -0.10 0.00 0.00 175.22 173.26 1c54 s SER 90 N 2.74 3.87 0.99 1.36 0.01 -0.08 -2.55 113.70 120.05 1c54 s SER 90 Ca 0.18 -1.35 -0.17 0.00 1.31 0.00 0.00 55.95 55.91 1c54 s SER 90 Cb -0.15 -1.08 -0.09 0.00 0.21 0.00 0.00 66.02 64.91 1c54 s SER 90 CO -0.19 -0.31 -0.52 0.18 0.41 0.00 0.00 173.24 172.82 1c54 n LEU 91 N 4.71 -3.91 -4.48 2.44 4.77 -0.67 -2.00 117.00 117.87 1c54 n LEU 91 Ca -0.07 0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 1c54 n LEU 91 Cb 0.44 -0.86 -0.13 0.00 -2.33 0.00 0.00 43.42 40.54 1c54 n LEU 91 CO 0.16 -4.82 -0.38 -0.63 -1.33 0.00 0.00 177.39 170.39 1c54 s ILE 92 N -2.12 3.62 -0.56 -0.08 1.09 -0.21 0.99 121.20 123.93 1c54 s ILE 92 Ca 0.45 -0.47 -0.06 0.00 -1.10 0.00 0.00 60.65 59.48 1c54 s ILE 92 Cb -0.15 -2.55 0.15 0.00 -1.06 0.00 0.00 42.46 38.85 1c54 s ILE 92 CO 0.76 0.52 0.40 -0.62 -0.10 0.00 0.00 174.94 175.90 1c54 s ASP 93 N 0.12 5.52 0.34 3.58 2.15 0.19 -4.80 116.67 123.78 1c54 s ASP 93 Ca -0.03 -2.42 0.04 0.00 0.43 0.00 0.00 52.55 50.58 1c54 s ASP 93 Cb -0.14 -1.93 0.67 0.00 -0.30 0.00 0.00 42.92 41.22 1c54 s ASP 93 CO 0.03 -0.51 1.94 1.56 -0.17 0.00 0.00 175.17 178.02 1c54 h GLN 94 N 7.70 0.82 -0.48 4.34 7.50 -1.95 -0.68 115.11 132.35 1c54 h GLN 94 Ca -0.08 -0.05 0.03 0.00 0.50 0.00 0.00 58.65 59.05 1c54 h GLN 94 Cb 1.01 -0.19 -0.04 0.00 0.05 0.00 0.00 27.48 28.32 1c54 h GLN 94 CO 0.75 0.54 0.27 0.00 -1.50 0.00 0.00 178.83 178.90 1c54 h THR 95 N 0.85 1.02 -0.01 -0.54 1.03 -1.97 -3.43 112.91 109.86 1c54 h THR 95 Ca 0.34 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.56 1c54 h THR 95 Cb 0.25 0.43 0.00 0.00 -1.07 0.00 0.00 68.15 67.76 1c54 h THR 95 CO -0.12 0.10 0.00 0.00 -0.01 0.00 0.00 175.52 175.49