#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 0.12 1.72 2.12 0.31 -1.25 -4.82 118.33 116.53 1c54 n VAL 2 Ca 0.00 -0.03 0.03 0.00 -0.01 0.00 0.00 64.34 64.33 1c54 n VAL 2 Cb 0.00 -0.51 0.15 0.00 -0.91 0.00 0.00 33.84 32.58 1c54 n VAL 2 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1c54 n SER 3 N 2.10 0.00 0.00 4.52 2.88 -0.95 -4.95 113.62 117.22 1c54 n SER 3 Ca 0.19 -1.55 0.00 0.00 -1.33 0.00 0.00 58.87 56.17 1c54 n SER 3 Cb 0.16 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1c54 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c54 n GLY 4 N 0.43 0.49 3.94 0.46 0.00 -1.26 -5.04 105.19 104.21 1c54 n GLY 4 Ca 0.04 -2.27 -0.19 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.14 2.81 -0.13 2.61 2.01 -1.26 -1.16 115.64 120.37 1c54 s THR 5 Ca 0.00 -1.17 -0.04 0.00 0.31 0.00 0.00 61.69 60.79 1c54 s THR 5 Cb 0.00 -2.99 0.06 0.00 0.01 0.00 0.00 72.50 69.58 1c54 s THR 5 CO 0.00 0.00 0.11 0.54 -0.69 0.00 0.00 174.62 174.58 1c54 s VAL 6 N -2.42 -0.16 0.16 3.82 0.11 0.27 -4.73 120.40 117.47 1c54 s VAL 6 Ca 0.52 0.07 -0.34 0.00 -2.93 0.00 0.00 61.98 59.30 1c54 s VAL 6 Cb -0.06 -0.44 -0.15 0.00 -1.53 0.00 0.00 36.38 34.19 1c54 s VAL 6 CO 0.30 -0.09 1.32 0.00 -3.33 0.00 0.00 175.10 173.30 1c54 h LEU 8 N 4.20 0.20 -1.58 0.00 6.46 -1.35 0.15 115.31 123.40 1c54 h LEU 8 Ca -0.45 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.26 1c54 h LEU 8 Cb 1.31 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 1c54 h LEU 8 CO 0.76 0.14 -0.22 -1.28 -0.62 0.00 0.00 178.44 177.22 1c54 h SER 9 N 0.23 0.00 1.27 1.25 0.87 -1.85 -1.22 113.55 114.11 1c54 h SER 9 Ca 0.08 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 1c54 h SER 9 Cb 0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1c54 h SER 9 CO -0.02 0.22 -0.37 0.00 -0.53 0.00 0.00 176.83 176.14 1c54 h ALA 10 N 1.78 0.84 -2.34 6.23 0.00 -1.32 -3.46 119.26 121.00 1c54 h ALA 10 Ca -0.00 -0.33 -0.50 0.00 0.00 0.00 0.00 54.91 54.08 1c54 h ALA 10 Cb 0.40 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 18.18 1c54 h ALA 10 CO 0.03 0.46 0.28 -0.51 0.00 0.00 0.00 179.25 179.50 1c54 s LEU 11 N -6.62 3.37 0.98 0.00 1.43 -0.46 -5.02 118.68 112.37 1c54 s LEU 11 Ca 0.03 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.16 1c54 s LEU 11 Cb 0.09 -4.14 0.18 0.00 0.03 0.00 0.00 46.19 42.35 1c54 s LEU 11 CO 0.70 -0.79 1.08 -2.16 0.23 0.00 0.00 176.35 175.41 1c54 s PRO 12 N -5.00 0.54 0.26 1.29 0.04 -1.26 -4.95 135.00 125.92 1c54 s PRO 12 Ca 0.52 0.87 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1c54 s PRO 12 Cb -0.11 -1.72 0.35 0.00 0.04 0.00 0.00 34.50 33.06 1c54 s PRO 12 CO 0.50 -2.75 1.70 -1.00 0.04 0.00 0.00 177.00 175.48 1c54 h PRO 13 N -1.92 0.57 0.00 0.56 0.13 -1.96 -2.53 132.00 126.84 1c54 h PRO 13 Ca -0.53 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1c54 h PRO 13 Cb 1.30 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1c54 h PRO 13 CO 0.52 0.76 0.00 0.39 -0.23 0.00 0.00 178.00 179.45 1c54 n GLU 14 N -4.12 0.10 -0.10 0.86 1.02 -1.26 -2.53 120.64 114.61 1c54 n GLU 14 Ca -0.00 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.10 1c54 n GLU 14 Cb 0.41 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 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 2.92 0.43 -0.24 0.62 0.00 -1.69 -2.93 119.26 118.37 1c54 h ALA 15 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1c54 h ALA 15 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1c54 h ALA 15 CO 0.00 0.35 -0.01 1.15 0.00 0.00 0.00 179.25 180.74 1c54 h THR 16 N 0.40 1.16 -0.54 0.00 2.02 -1.59 -2.85 112.91 111.50 1c54 h THR 16 Ca 0.06 -0.62 0.11 0.00 0.77 0.00 0.00 66.41 66.73 1c54 h THR 16 Cb 0.70 0.99 -0.10 0.00 -1.74 0.00 0.00 68.15 68.01 1c54 h THR 16 CO 0.05 0.21 -0.06 -0.78 0.37 0.00 0.00 175.52 175.31 1c54 h ASP 17 N 0.35 -0.36 -0.00 4.18 3.58 -1.56 -0.80 116.42 121.82 1c54 h ASP 17 Ca 0.08 0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.68 1c54 h ASP 17 Cb 0.26 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1c54 h ASP 17 CO 0.01 -0.13 -0.04 0.74 -2.88 0.00 0.00 179.24 176.94 1c54 h THR 18 N 0.06 0.90 -0.87 2.25 2.02 -1.56 -0.18 112.91 115.53 1c54 h THR 18 Ca 0.27 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.67 1c54 h THR 18 Cb 0.42 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 1c54 h THR 18 CO -0.51 0.00 0.60 -0.07 0.37 0.00 0.00 175.52 175.91 1c54 h LEU 19 N -0.07 0.23 -0.15 2.58 3.38 -1.29 0.45 115.31 120.44 1c54 h LEU 19 Ca 0.02 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1c54 h LEU 19 Cb 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1c54 h LEU 19 CO -0.04 0.09 -0.38 -1.13 0.09 0.00 0.00 178.44 177.07 1c54 h ASN 20 N 0.23 0.59 -0.15 -0.43 -0.73 -0.18 -0.99 115.58 113.92 1c54 h ASN 20 Ca 0.44 -0.58 -0.07 0.00 1.87 0.00 0.00 56.30 57.96 1c54 h ASN 20 Cb 1.36 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.76 1c54 h ASN 20 CO -0.10 1.06 -0.10 -0.07 -0.37 0.00 0.00 177.43 177.85 1c54 h LEU 21 N 0.15 0.47 -0.38 0.34 3.38 0.64 0.75 115.31 120.65 1c54 h LEU 21 Ca -0.00 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1c54 h LEU 21 Cb 0.99 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1c54 h LEU 21 CO 0.08 0.61 -0.13 0.40 0.09 0.00 0.00 178.44 179.48 1c54 h ILE 22 N 0.46 1.28 -0.09 1.22 2.04 -0.09 0.46 117.51 122.79 1c54 h ILE 22 Ca 0.09 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 1c54 h ILE 22 Cb 0.45 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1c54 h ILE 22 CO 0.02 0.41 -0.09 0.00 0.00 0.00 0.00 178.15 178.50 1c54 h ALA 23 N 0.82 0.13 -0.11 1.87 0.00 -0.58 -3.15 119.26 118.25 1c54 h ALA 23 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1c54 h ALA 23 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1c54 h ALA 23 CO 0.05 -0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.69 1c54 n SER 24 N -4.67 0.87 -4.31 0.00 7.64 0.25 -4.91 113.62 108.50 1c54 n SER 24 Ca -0.07 -1.69 -0.38 0.00 1.01 0.00 0.00 58.87 57.74 1c54 n SER 24 Cb 0.32 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.15 -2.92 0.00 6.43 -0.08 -0.09 -4.53 116.55 115.20 1c54 n ASP 25 Ca 0.12 -1.07 0.00 0.00 -1.51 0.00 0.00 54.79 52.33 1c54 n ASP 25 Cb 0.18 -2.42 0.00 0.00 2.34 0.00 0.00 41.12 41.23 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 -1.28 -1.29 3.74 0.27 0.00 0.14 -4.81 105.19 101.95 1c54 n GLY 26 Ca 0.09 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 4.55 0.40 1.61 0.04 -1.26 -4.74 135.00 135.60 1c54 s PRO 27 Ca 0.00 1.79 -0.13 0.00 0.04 0.00 0.00 61.00 62.70 1c54 s PRO 27 Cb 0.00 -3.26 -0.07 0.00 0.04 0.00 0.00 34.50 31.21 1c54 s PRO 27 CO 0.00 0.01 0.80 -0.06 0.04 0.00 0.00 177.00 177.78 1c54 s PHE 28 N -0.20 3.44 -0.03 0.56 0.08 -1.26 -4.95 117.98 115.61 1c54 s PHE 28 Ca 0.51 1.16 -0.17 0.00 0.12 0.00 0.00 56.93 58.55 1c54 s PHE 28 Cb -0.31 -2.53 -0.10 0.00 -0.57 0.00 0.00 43.02 39.51 1c54 s PHE 28 CO 0.36 -0.10 0.73 -1.00 -0.10 0.00 0.00 175.22 175.11 1c54 h PRO 29 N 1.47 -0.53 0.00 0.24 0.13 -1.96 -3.48 132.00 127.87 1c54 h PRO 29 Ca -0.47 0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 1c54 h PRO 29 Cb 1.18 0.12 -0.11 0.00 0.13 0.00 0.00 31.00 32.32 1c54 h PRO 29 CO 0.64 -0.30 -0.46 2.48 -0.23 0.00 0.00 178.00 180.13 1c54 n TYR 30 N -5.14 0.88 0.46 1.56 0.18 -1.26 -5.03 117.16 108.81 1c54 n TYR 30 Ca -0.08 -2.56 0.06 0.00 1.88 0.00 0.00 57.90 57.20 1c54 n TYR 30 Cb 0.24 -0.37 0.27 0.00 -0.38 0.00 0.00 39.34 39.10 1c54 n TYR 30 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1c54 n SER 31 N -1.42 0.00 -2.58 9.48 7.64 -1.26 -4.19 113.62 121.29 1c54 n SER 31 Ca -0.18 0.36 -0.16 0.00 1.01 0.00 0.00 58.87 59.91 1c54 n SER 31 Cb 0.66 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.42 1.85 0.00 1.43 6.02 -1.26 -4.55 117.38 119.44 1c54 n GLN 32 Ca 0.04 -1.08 0.00 0.00 -0.01 0.00 0.00 57.00 55.94 1c54 n GLN 32 Cb 0.12 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.25 1c54 n GLN 32 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1c54 n ASP 33 N 3.21 0.00 0.00 1.08 5.68 -1.25 -1.15 116.55 124.12 1c54 n ASP 33 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.69 1c54 n ASP 33 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1c54 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c54 n GLY 34 N 0.00 1.77 3.88 6.12 0.00 -1.22 -5.02 105.19 110.72 1c54 n GLY 34 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.13 4.93 0.60 1.61 -7.23 -1.26 -5.00 120.40 111.92 1c54 s VAL 35 Ca 0.00 0.45 -0.15 0.00 -1.81 0.00 0.00 61.98 60.47 1c54 s VAL 35 Cb 0.00 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 1c54 s VAL 35 CO 0.00 -0.10 1.05 -0.69 -0.31 0.00 0.00 175.10 175.05 1c54 s VAL 36 N -1.85 3.93 -0.41 1.32 1.01 -1.26 -2.46 120.40 120.68 1c54 s VAL 36 Ca 0.47 0.87 0.02 0.00 0.00 0.00 0.00 61.98 63.34 1c54 s VAL 36 Cb -0.11 -3.42 0.12 0.00 0.00 0.00 0.00 36.38 32.97 1c54 s VAL 36 CO 0.22 -0.58 0.19 0.12 0.00 0.00 0.00 175.10 175.04 1c54 s PHE 37 N -2.57 2.24 0.00 5.22 5.36 -0.77 -4.75 117.98 122.72 1c54 s PHE 37 Ca 0.62 -2.41 -0.03 0.00 -0.96 0.00 0.00 56.93 54.15 1c54 s PHE 37 Cb -0.15 -2.06 -0.12 0.00 -0.34 0.00 0.00 43.02 40.35 1c54 s PHE 37 CO 0.39 -0.82 2.02 0.94 -1.46 0.00 0.00 175.22 176.29 1c54 n GLN 38 N 3.88 1.00 -3.71 10.12 0.00 -1.26 -4.50 117.38 122.92 1c54 n GLN 38 Ca 0.05 -0.44 -0.20 0.00 -0.00 0.00 0.00 57.00 56.41 1c54 n GLN 38 Cb 0.37 -1.66 -0.01 0.00 0.00 0.00 0.00 30.24 28.94 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 2.50 -1.06 0.03 1.69 5.15 -1.26 -4.74 115.26 117.57 1c54 n ASN 39 Ca 0.19 -0.62 0.19 0.00 -0.60 0.00 0.00 54.58 53.74 1c54 n ASN 39 Cb 0.47 -0.75 0.68 0.00 -0.53 0.00 0.00 39.78 39.65 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 0.11 0.01 0.00 1.20 -0.00 -1.99 0.28 114.38 113.99 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 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.64 1c54 h ARG 40 CO 0.28 0.00 0.00 0.39 0.00 0.00 0.00 179.97 180.64 1c54 n GLU 41 N -4.40 0.20 -3.90 0.04 1.02 -1.26 -4.91 120.64 107.44 1c54 n GLU 41 Ca 0.08 0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.99 1c54 n GLU 41 Cb 0.55 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 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 -1.37 -2.95 -0.01 1.62 2.88 0.98 -4.81 113.62 109.97 1c54 n SER 42 Ca 0.09 -0.75 0.06 0.00 -1.33 0.00 0.00 58.87 56.94 1c54 n SER 42 Cb 0.22 -2.46 -0.09 0.00 -0.75 0.00 0.00 64.21 61.14 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 -4.02 0.00 -3.49 2.46 0.31 -1.26 -4.90 118.33 107.42 1c54 n VAL 43 Ca 0.06 -0.26 -0.30 0.00 -0.01 0.00 0.00 64.34 63.83 1c54 n VAL 43 Cb 0.50 0.24 -0.04 0.00 -0.91 0.00 0.00 33.84 33.63 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 -3.79 4.16 0.00 7.52 1.43 -1.26 -3.77 118.68 122.96 1c54 s LEU 44 Ca -0.04 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1c54 s LEU 44 Cb 0.07 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1c54 s LEU 44 CO 0.48 -0.08 0.00 -0.81 0.23 0.00 0.00 176.35 176.16 1c54 n PRO 45 N -0.48 -0.08 0.00 1.29 -0.04 -1.26 -4.45 135.00 129.98 1c54 n PRO 45 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1c54 n PRO 45 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -1.58 0.00 0.00 0.52 -1.04 -1.26 -4.70 114.28 106.22 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 0.00 0.00 -0.90 -2.82 7.27 -1.26 -5.00 117.38 114.67 1c54 n GLN 47 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 1c54 n GLN 47 Cb 0.00 -0.56 0.10 0.00 2.41 0.00 0.00 30.24 32.19 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 0.27 -2.49 -4.71 1.69 3.41 -1.26 -4.81 113.62 105.72 1c54 n SER 48 Ca 0.00 0.35 -0.35 0.00 -0.26 0.00 0.00 58.87 58.61 1c54 n SER 48 Cb 0.00 -1.15 -0.09 0.00 -0.26 0.00 0.00 64.21 62.72 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 -2.26 3.33 0.00 7.33 5.04 -1.26 -4.35 117.35 125.17 1c54 s TYR 49 Ca 0.56 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 1c54 s TYR 49 Cb -0.23 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.11 1c54 s TYR 49 CO 0.68 0.39 0.00 0.41 -1.34 0.00 0.00 175.55 175.69 1c54 n GLY 50 N 2.77 3.13 0.00 8.97 0.00 -1.26 -4.82 105.19 113.98 1c54 n GLY 50 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.67 0.00 -4.51 1.61 9.36 -1.26 -4.72 117.16 115.97 1c54 n TYR 51 Ca 0.00 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.97 1c54 n TYR 51 Cb 0.00 -0.38 -0.10 0.00 -0.63 0.00 0.00 39.34 38.23 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 -2.75 2.36 0.22 2.98 1.51 -1.26 -1.23 117.35 119.18 1c54 s TYR 52 Ca 0.12 -0.43 -0.22 0.00 -1.01 0.00 0.00 57.07 55.54 1c54 s TYR 52 Cb 0.11 -1.22 0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1c54 s TYR 52 CO 0.27 0.64 0.67 -1.01 -1.11 0.00 0.00 175.55 175.02 1c54 s HIS 53 N -2.56 -0.34 0.16 2.71 3.76 -0.84 -1.84 115.29 116.33 1c54 s HIS 53 Ca 0.31 -0.00 0.11 0.00 -0.15 0.00 0.00 55.06 55.33 1c54 s HIS 53 Cb -0.01 0.64 -0.04 0.00 1.11 0.00 0.00 32.58 34.28 1c54 s HIS 53 CO 0.16 -1.06 -0.25 -1.83 -0.85 0.00 0.00 174.74 170.91 1c54 s GLU 54 N -3.83 1.44 -0.45 1.40 1.03 -1.03 -2.19 118.70 115.08 1c54 s GLU 54 Ca 0.07 -1.43 0.05 0.00 0.03 0.00 0.00 54.97 53.68 1c54 s GLU 54 Cb -0.04 -1.83 0.27 0.00 -0.80 0.00 0.00 34.13 31.74 1c54 s GLU 54 CO -0.02 0.41 1.03 0.66 -1.33 0.00 0.00 175.26 176.02 1c54 n TYR 55 N 0.58 -2.69 -1.36 4.83 4.02 0.50 -3.36 117.16 119.67 1c54 n TYR 55 Ca -0.15 -1.67 -0.50 0.00 -0.01 0.00 0.00 57.90 55.57 1c54 n TYR 55 Cb 0.55 1.51 -0.05 0.00 -0.02 0.00 0.00 39.34 41.32 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 1.18 0.98 -3.24 -0.72 -1.04 -0.30 -3.50 114.28 107.65 1c54 n THR 56 Ca 0.06 -0.25 -0.39 0.00 -2.04 0.00 0.00 64.05 61.43 1c54 n THR 56 Cb 0.67 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.11 1c54 n THR 56 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1c54 s VAL 57 N -0.49 5.10 0.92 12.58 -7.23 -1.26 -4.84 120.40 125.17 1c54 s VAL 57 Ca 0.72 0.95 -0.13 0.00 -1.81 0.00 0.00 61.98 61.71 1c54 s VAL 57 Cb -1.03 -3.84 0.02 0.00 0.56 0.00 0.00 36.38 32.09 1c54 s VAL 57 CO 0.53 0.16 0.37 -0.38 -0.31 0.00 0.00 175.10 175.47 1c54 n ILE 58 N 4.64 0.26 -3.70 -0.62 5.41 -1.26 -4.77 119.36 119.32 1c54 n ILE 58 Ca -0.04 -0.23 -0.14 0.00 1.00 0.00 0.00 62.75 63.34 1c54 n ILE 58 Cb 0.50 -0.61 -0.09 0.00 -0.71 0.00 0.00 39.64 38.73 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 -2.31 0.01 0.32 1.39 2.01 -1.26 -4.56 115.64 111.24 1c54 s THR 59 Ca 0.57 -0.05 -0.28 0.00 0.31 0.00 0.00 61.69 62.25 1c54 s THR 59 Cb -0.23 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.49 1c54 s THR 59 CO 0.67 -0.03 1.12 -2.16 -0.69 0.00 0.00 174.62 173.54 1c54 s PRO 60 N 0.01 4.44 -1.86 4.92 0.04 -1.26 -3.10 135.00 138.19 1c54 s PRO 60 Ca -0.02 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1c54 s PRO 60 Cb -0.03 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1c54 s PRO 60 CO 0.02 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.50 1c54 n GLY 61 N 0.93 0.27 3.53 0.56 0.00 -1.26 -4.91 105.19 104.31 1c54 n GLY 61 Ca 0.01 -0.03 -0.42 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 -2.93 2.86 0.54 4.61 0.00 -1.18 -4.83 121.76 120.82 1c54 s ALA 62 Ca 0.00 -2.24 0.44 0.00 0.00 0.00 0.00 51.96 50.16 1c54 s ALA 62 Cb 0.00 -4.38 1.65 0.00 0.00 0.00 0.00 23.12 20.39 1c54 s ALA 62 CO 0.00 -3.42 1.64 0.00 0.00 0.00 0.00 175.76 173.98 1c54 h ARG 63 N 9.63 0.02 0.00 0.00 3.08 -1.91 -3.41 114.38 121.78 1c54 h ARG 63 Ca 0.12 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1c54 h ARG 63 Cb 1.02 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1c54 h ARG 63 CO 1.34 0.01 0.00 0.25 -1.07 0.00 0.00 179.97 180.50 1c54 n THR 64 N -4.11 0.00 0.17 2.04 -2.24 -1.26 -5.04 114.28 103.83 1c54 n THR 64 Ca 0.39 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 62.19 1c54 n THR 64 Cb 1.74 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.94 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 4.12 -0.67 -0.78 1.74 -1.26 -5.02 116.66 114.80 1c54 n ARG 65 Ca 0.00 -0.01 0.08 0.00 -0.77 0.00 0.00 57.85 57.15 1c54 n ARG 65 Cb 0.00 -0.82 -0.04 0.00 -1.02 0.00 0.00 32.46 30.58 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 1.39 -2.46 0.00 -0.13 0.00 -1.26 -4.46 105.19 98.26 1c54 n GLY 66 Ca 0.00 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.27 0.37 -2.18 2.61 -2.24 -1.26 -4.81 114.28 103.50 1c54 n THR 67 Ca -0.03 0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 1c54 n THR 67 Cb 0.31 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.78 1c54 n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1c54 s ARG 68 N -2.66 4.36 -0.27 -0.78 1.81 -1.26 0.64 118.95 120.79 1c54 s ARG 68 Ca 0.18 2.11 -0.25 0.00 -1.72 0.00 0.00 55.73 56.05 1c54 s ARG 68 Cb 0.14 -3.18 0.07 0.00 -0.45 0.00 0.00 34.95 31.54 1c54 s ARG 68 CO 0.34 -0.28 0.71 1.03 -0.68 0.00 0.00 175.30 176.42 1c54 s ARG 69 N -0.19 0.83 -0.06 3.54 1.81 -1.26 -4.25 118.95 119.37 1c54 s ARG 69 Ca 0.57 0.99 0.03 0.00 -1.72 0.00 0.00 55.73 55.60 1c54 s ARG 69 Cb -0.38 0.40 -0.03 0.00 -0.45 0.00 0.00 34.95 34.50 1c54 s ARG 69 CO 0.39 -0.10 -0.14 0.42 -0.68 0.00 0.00 175.30 175.20 1c54 s ILE 70 N 0.38 3.09 -0.25 1.52 1.01 -1.23 -2.03 121.20 123.69 1c54 s ILE 70 Ca -0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1c54 s ILE 70 Cb -0.05 -2.22 0.07 0.00 0.01 0.00 0.00 42.46 40.28 1c54 s ILE 70 CO 0.01 0.59 0.02 -0.63 0.00 0.00 0.00 174.94 174.93 1c54 s ILE 71 N -0.65 1.15 0.39 2.92 -1.09 0.29 -0.37 121.20 123.84 1c54 s ILE 71 Ca 0.10 -1.19 0.01 0.00 -2.23 0.00 0.00 60.65 57.34 1c54 s ILE 71 Cb -0.11 -1.64 -0.02 0.00 -1.58 0.00 0.00 42.46 39.12 1c54 s ILE 71 CO 0.01 -0.33 0.59 0.42 -1.23 0.00 0.00 174.94 174.40 1c54 s THR 72 N 1.54 4.44 0.29 2.92 -4.23 -0.93 0.85 115.64 120.52 1c54 s THR 72 Ca 0.01 -0.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.99 1c54 s THR 72 Cb -0.18 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.07 1c54 s THR 72 CO -0.12 -0.39 0.23 0.61 -0.54 0.00 0.00 174.62 174.41 1c54 n GLY 73 N -1.90 2.84 0.12 3.99 0.00 -0.88 -1.99 105.19 107.37 1c54 n GLY 73 Ca -0.01 -2.24 0.12 0.00 0.00 0.00 0.00 46.02 43.89 1c54 n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1c54 n GLU 74 N -1.22 0.20 -4.34 1.61 4.07 -0.36 -4.52 120.64 116.08 1c54 n GLU 74 Ca -0.01 0.39 -0.34 0.00 -0.06 0.00 0.00 57.16 57.14 1c54 n GLU 74 Cb 0.33 -1.86 -0.12 0.00 -0.06 0.00 0.00 31.44 29.73 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 -3.28 2.98 0.66 4.31 0.00 -1.26 -5.10 121.76 120.07 1c54 s ALA 75 Ca 0.05 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.97 1c54 s ALA 75 Cb 0.10 -1.59 -0.00 0.00 0.00 0.00 0.00 23.12 21.63 1c54 s ALA 75 CO 0.43 0.13 1.26 0.99 0.00 0.00 0.00 175.76 178.56 1c54 s THR 76 N 0.52 2.20 -0.37 0.00 2.01 -1.26 -3.53 115.64 115.21 1c54 s THR 76 Ca -0.03 0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 1c54 s THR 76 Cb -0.14 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1c54 s THR 76 CO 0.03 -0.03 0.05 0.00 -0.69 0.00 0.00 174.62 173.97 1c54 n GLN 77 N -2.09 -0.60 -3.18 4.92 6.02 -1.26 -4.98 117.38 116.20 1c54 n GLN 77 Ca 0.15 0.21 -0.19 0.00 -0.01 0.00 0.00 57.00 57.16 1c54 n GLN 77 Cb 0.49 -3.84 -0.03 0.00 1.02 0.00 0.00 30.24 27.88 1c54 n GLN 77 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1c54 n GLU 78 N -1.44 1.08 -3.71 -1.09 1.02 -1.23 -4.69 120.64 110.58 1c54 n GLU 78 Ca -0.04 -3.45 -0.37 0.00 -0.02 0.00 0.00 57.16 53.28 1c54 n GLU 78 Cb 0.54 -1.73 -0.11 0.00 -0.02 0.00 0.00 31.44 30.12 1c54 n GLU 78 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1c54 s ASP 79 N -2.47 5.82 -0.17 1.62 2.15 -1.26 -2.08 116.67 120.28 1c54 s ASP 79 Ca 0.40 0.01 -0.17 0.00 0.43 0.00 0.00 52.55 53.22 1c54 s ASP 79 Cb 0.34 -2.05 -0.04 0.00 -0.30 0.00 0.00 42.92 40.87 1c54 s ASP 79 CO -0.08 0.03 0.46 -0.31 -0.17 0.00 0.00 175.17 175.10 1c54 s TYR 80 N 1.28 3.42 -0.22 -5.34 2.02 0.25 -0.79 117.35 117.97 1c54 s TYR 80 Ca 0.06 0.76 -0.05 0.00 -0.37 0.00 0.00 57.07 57.48 1c54 s TYR 80 Cb -0.14 -2.58 -0.02 0.00 -0.40 0.00 0.00 41.96 38.82 1c54 s TYR 80 CO 0.06 0.03 0.01 -0.47 -1.57 0.00 0.00 175.55 173.60 1c54 s TYR 81 N 1.16 3.03 0.00 2.71 6.14 -0.12 -0.54 117.35 129.72 1c54 s TYR 81 Ca 0.23 -0.60 0.00 0.00 0.64 0.00 0.00 57.07 57.34 1c54 s TYR 81 Cb -0.15 -2.14 0.00 0.00 0.42 0.00 0.00 41.96 40.09 1c54 s TYR 81 CO 0.09 -0.38 0.00 -2.37 0.64 0.00 0.00 175.55 173.53 1c54 n THR 82 N 4.65 0.00 -1.29 4.34 5.66 -0.86 -1.50 114.28 125.28 1c54 n THR 82 Ca -0.17 0.45 -0.10 0.00 -3.05 0.00 0.00 64.05 61.18 1c54 n THR 82 Cb 0.51 -1.36 -0.04 0.00 -1.55 0.00 0.00 70.33 67.89 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 2.05 1.08 0.90 1.09 0.00 -1.22 -4.52 105.19 104.57 1c54 n GLY 83 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.43 0.17 -2.91 1.61 2.03 -0.96 -4.59 116.55 111.47 1c54 n ASP 84 Ca -0.10 -1.83 -0.09 0.00 0.52 0.00 0.00 54.79 53.29 1c54 n ASP 84 Cb 0.43 -0.12 0.01 0.00 -0.72 0.00 0.00 41.12 40.72 1c54 n ASP 84 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1c54 n HIS 85 N 0.16 -3.34 -3.96 -0.67 -0.00 0.21 -3.85 115.22 103.77 1c54 n HIS 85 Ca -0.02 1.40 -0.30 0.00 -0.00 0.00 0.00 57.72 58.79 1c54 n HIS 85 Cb 0.81 -3.60 -0.01 0.00 -0.00 0.00 0.00 29.99 27.19 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 0.11 -1.61 0.00 1.57 4.01 -1.26 -4.87 117.16 115.10 1c54 n TYR 86 Ca 0.05 0.57 0.00 0.00 -0.16 0.00 0.00 57.90 58.36 1c54 n TYR 86 Cb 0.36 -3.41 0.00 0.00 -0.31 0.00 0.00 39.34 35.98 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 -4.47 1.90 -2.27 -0.72 0.00 -1.25 -5.07 120.51 108.63 1c54 n ALA 87 Ca -0.24 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 1c54 n ALA 87 Cb 0.65 0.30 -0.10 0.00 0.00 0.00 0.00 19.45 20.30 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 -1.81 0.52 -0.30 0.00 -4.23 -1.26 -5.06 115.64 103.50 1c54 s THR 88 Ca 0.00 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 1c54 s THR 88 Cb 0.00 -2.43 0.15 0.00 1.34 0.00 0.00 72.50 71.56 1c54 s THR 88 CO 0.00 -0.17 0.62 -0.36 -0.54 0.00 0.00 174.62 174.17 1c54 s PHE 89 N -3.78 -1.42 -0.18 3.99 0.08 -1.22 -3.44 117.98 112.02 1c54 s PHE 89 Ca 0.33 2.03 -0.03 0.00 0.12 0.00 0.00 56.93 59.38 1c54 s PHE 89 Cb 0.07 0.68 0.06 0.00 -0.57 0.00 0.00 43.02 43.26 1c54 s PHE 89 CO 0.10 -0.75 0.04 -1.12 -0.10 0.00 0.00 175.22 173.39 1c54 s SER 90 N 2.87 2.67 0.99 1.36 0.01 -0.56 -2.23 113.70 118.80 1c54 s SER 90 Ca 0.05 -0.71 -0.16 0.00 1.31 0.00 0.00 55.95 56.44 1c54 s SER 90 Cb -0.13 -0.51 -0.12 0.00 0.21 0.00 0.00 66.02 65.46 1c54 s SER 90 CO -0.20 -0.30 -0.64 0.18 0.41 0.00 0.00 173.24 172.69 1c54 n LEU 91 N 5.10 -5.26 -4.45 2.44 4.77 -0.31 -0.95 117.00 118.34 1c54 n LEU 91 Ca -0.08 0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.76 1c54 n LEU 91 Cb 0.48 -0.82 -0.13 0.00 -2.33 0.00 0.00 43.42 40.62 1c54 n LEU 91 CO 0.12 -5.73 -0.38 -0.63 -1.33 0.00 0.00 177.39 169.44 1c54 s ILE 92 N -2.05 3.61 -0.64 -0.08 1.09 0.03 0.97 121.20 124.13 1c54 s ILE 92 Ca 0.42 -0.46 -0.06 0.00 -1.10 0.00 0.00 60.65 59.46 1c54 s ILE 92 Cb -0.19 -2.57 0.17 0.00 -1.06 0.00 0.00 42.46 38.81 1c54 s ILE 92 CO 0.81 0.50 0.49 -0.62 -0.10 0.00 0.00 174.94 176.02 1c54 s ASP 93 N 0.41 5.63 0.47 3.58 2.15 -0.41 -4.66 116.67 123.84 1c54 s ASP 93 Ca -0.06 -2.67 0.12 0.00 0.43 0.00 0.00 52.55 50.38 1c54 s ASP 93 Cb -0.15 -1.95 1.08 0.00 -0.30 0.00 0.00 42.92 41.61 1c54 s ASP 93 CO 0.04 -0.46 2.11 1.56 -0.17 0.00 0.00 175.17 178.24 1c54 h GLN 94 N 7.41 0.23 -0.75 4.34 7.50 -1.95 -0.99 115.11 130.91 1c54 h GLN 94 Ca -0.02 -0.01 0.13 0.00 0.50 0.00 0.00 58.65 59.25 1c54 h GLN 94 Cb 0.99 -0.05 -0.05 0.00 0.05 0.00 0.00 27.48 28.42 1c54 h GLN 94 CO 0.74 0.16 0.50 0.00 -1.50 0.00 0.00 178.83 178.72 1c54 h THR 95 N 0.24 0.84 -0.00 -0.54 1.03 -1.98 -3.44 112.91 109.05 1c54 h THR 95 Ca 0.06 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 66.29 1c54 h THR 95 Cb -0.02 0.30 0.00 0.00 -1.07 0.00 0.00 68.15 67.36 1c54 h THR 95 CO -0.01 0.09 0.00 0.00 -0.01 0.00 0.00 175.52 175.59