#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 4.06 -2.00 2.12 1.01 -1.26 -4.56 120.40 119.77 1c54 s VAL 2 Ca 0.00 1.22 0.06 0.00 0.00 0.00 0.00 61.98 63.26 1c54 s VAL 2 Cb 0.00 -4.01 0.17 0.00 0.00 0.00 0.00 36.38 32.54 1c54 s VAL 2 CO 0.00 -0.36 1.13 -0.24 0.00 0.00 0.00 175.10 175.64 1c54 n SER 3 N 7.57 0.00 0.00 3.32 2.88 -1.12 -4.96 113.62 121.31 1c54 n SER 3 Ca 0.15 -1.59 0.00 0.00 -1.33 0.00 0.00 58.87 56.10 1c54 n SER 3 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.47 0.63 3.99 0.46 0.00 -1.26 -5.09 105.19 104.39 1c54 n GLY 4 Ca 0.04 -2.12 -0.19 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.07 2.63 -0.21 2.61 2.01 -1.26 -1.52 115.64 118.82 1c54 s THR 5 Ca 0.00 -1.08 -0.04 0.00 0.31 0.00 0.00 61.69 60.88 1c54 s THR 5 Cb 0.00 -2.71 0.08 0.00 0.01 0.00 0.00 72.50 69.88 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 -2.48 -0.19 0.12 3.82 0.11 0.26 -4.75 120.40 117.28 1c54 s VAL 6 Ca 0.55 -0.26 -0.35 0.00 -2.93 0.00 0.00 61.98 58.98 1c54 s VAL 6 Cb -0.07 -0.70 -0.17 0.00 -1.53 0.00 0.00 36.38 33.91 1c54 s VAL 6 CO 0.33 -0.34 1.20 0.00 -3.33 0.00 0.00 175.10 172.96 1c54 h LEU 8 N 3.69 0.35 -1.60 0.00 6.46 -1.29 0.15 115.31 123.07 1c54 h LEU 8 Ca -0.45 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.28 1c54 h LEU 8 Cb 1.35 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.22 1c54 h LEU 8 CO 0.72 0.20 -0.21 -1.28 -0.62 0.00 0.00 178.44 177.25 1c54 h SER 9 N 0.38 0.00 0.60 1.25 0.87 -1.85 -1.82 113.55 112.99 1c54 h SER 9 Ca 0.31 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.70 1c54 h SER 9 Cb 0.68 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 1c54 h SER 9 CO -0.09 0.21 -0.75 0.00 -0.53 0.00 0.00 176.83 175.68 1c54 h ALA 10 N 1.79 0.72 -2.37 6.23 0.00 -1.07 -3.45 119.26 121.10 1c54 h ALA 10 Ca -0.00 -0.66 -0.50 0.00 0.00 0.00 0.00 54.91 53.75 1c54 h ALA 10 Cb 0.41 -0.10 0.11 0.00 0.00 0.00 0.00 17.79 18.21 1c54 h ALA 10 CO 0.03 0.87 0.35 -0.51 0.00 0.00 0.00 179.25 179.99 1c54 s LEU 11 N -7.50 2.87 0.98 0.00 1.43 -0.68 -5.01 118.68 110.76 1c54 s LEU 11 Ca -0.02 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 1c54 s LEU 11 Cb 0.11 -4.22 0.17 0.00 0.03 0.00 0.00 46.19 42.28 1c54 s LEU 11 CO 0.80 -1.74 1.09 -2.16 0.23 0.00 0.00 176.35 174.57 1c54 s PRO 12 N -5.09 0.61 0.33 1.29 0.04 -1.26 -4.94 135.00 125.99 1c54 s PRO 12 Ca 0.60 0.69 0.26 0.00 0.04 0.00 0.00 61.00 62.59 1c54 s PRO 12 Cb -0.14 -1.74 1.06 0.00 0.04 0.00 0.00 34.50 33.71 1c54 s PRO 12 CO 0.55 -2.65 1.79 -1.00 0.04 0.00 0.00 177.00 175.72 1c54 h PRO 13 N -1.84 0.00 -0.02 0.56 0.13 -1.96 -2.35 132.00 126.52 1c54 h PRO 13 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 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 -0.18 0.39 -0.23 0.00 0.00 178.00 178.54 1c54 n GLU 14 N -2.48 1.42 0.08 0.86 1.02 -1.26 -3.77 120.64 116.51 1c54 n GLU 14 Ca 0.02 -0.98 -0.22 0.00 -0.02 0.00 0.00 57.16 55.95 1c54 n GLU 14 Cb 0.27 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.06 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 4.10 0.15 0.00 0.62 0.00 -1.64 -3.29 119.26 119.20 1c54 h ALA 15 Ca 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 54.91 53.78 1c54 h ALA 15 Cb 0.64 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1c54 h ALA 15 CO 0.00 1.02 -0.04 0.00 0.00 0.00 0.00 179.25 180.23 1c54 h THR 16 N 0.11 0.90 -0.15 0.00 1.03 -1.65 -2.70 112.91 110.45 1c54 h THR 16 Ca -0.33 -0.13 0.04 0.00 -0.01 0.00 0.00 66.41 65.99 1c54 h THR 16 Cb 2.10 1.07 -0.05 0.00 -1.07 0.00 0.00 68.15 70.20 1c54 h THR 16 CO 0.18 0.04 -0.16 -0.78 -0.01 0.00 0.00 175.52 174.79 1c54 h ASP 17 N 0.00 -0.50 -0.06 0.00 1.82 -1.69 0.47 116.42 116.47 1c54 h ASP 17 Ca -0.00 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1c54 h ASP 17 Cb 0.07 0.24 -0.00 0.00 0.68 0.00 0.00 39.33 40.32 1c54 h ASP 17 CO 0.00 -0.20 0.02 0.74 -1.61 0.00 0.00 179.24 178.19 1c54 h THR 18 N -0.19 1.17 -0.70 2.25 2.02 -1.64 0.66 112.91 116.48 1c54 h THR 18 Ca 0.10 -0.51 0.18 0.00 0.77 0.00 0.00 66.41 66.95 1c54 h THR 18 Cb 0.34 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1c54 h THR 18 CO -0.26 0.14 0.49 -0.07 0.37 0.00 0.00 175.52 176.19 1c54 h LEU 19 N -0.10 0.12 -0.19 2.58 3.38 -1.47 0.46 115.31 120.08 1c54 h LEU 19 Ca 0.02 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1c54 h LEU 19 Cb 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1c54 h LEU 19 CO -0.00 0.06 -0.47 -1.13 0.09 0.00 0.00 178.44 176.99 1c54 h ASN 20 N 0.13 0.74 -0.12 -0.43 -0.73 0.22 -0.27 115.58 115.12 1c54 h ASN 20 Ca 0.34 -0.57 -0.11 0.00 1.87 0.00 0.00 56.30 57.83 1c54 h ASN 20 Cb 1.15 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.51 1c54 h ASN 20 CO -0.05 1.18 -0.27 -0.07 -0.37 0.00 0.00 177.43 177.85 1c54 h LEU 21 N 0.34 0.58 -0.65 0.34 3.38 0.15 1.01 115.31 120.47 1c54 h LEU 21 Ca -0.00 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1c54 h LEU 21 Cb 1.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1c54 h LEU 21 CO 0.10 0.83 0.06 0.40 0.09 0.00 0.00 178.44 179.93 1c54 h ILE 22 N 0.50 1.27 -0.05 1.22 2.04 -0.12 0.55 117.51 122.91 1c54 h ILE 22 Ca 0.07 -1.10 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 1c54 h ILE 22 Cb 0.72 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1c54 h ILE 22 CO 0.06 0.41 -0.30 0.00 0.00 0.00 0.00 178.15 178.31 1c54 h ALA 23 N 1.02 0.10 0.00 1.87 0.00 -0.54 -3.09 119.26 118.63 1c54 h ALA 23 Ca 0.19 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1c54 h ALA 23 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1c54 h ALA 23 CO 0.02 0.15 0.00 0.45 0.00 0.00 0.00 179.25 179.87 1c54 n SER 24 N -4.45 0.00 -3.98 0.00 2.88 0.34 -4.89 113.62 103.53 1c54 n SER 24 Ca -0.09 -0.81 -0.32 0.00 -1.33 0.00 0.00 58.87 56.32 1c54 n SER 24 Cb 0.50 -0.06 -0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.06 -3.95 0.00 -3.46 2.03 0.82 -4.59 116.55 106.33 1c54 n ASP 25 Ca 0.22 -0.83 0.00 0.00 0.52 0.00 0.00 54.79 54.70 1c54 n ASP 25 Cb 0.14 -3.20 0.00 0.00 -0.72 0.00 0.00 41.12 37.33 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 -1.46 -1.91 3.76 0.27 0.00 0.16 -4.88 105.19 101.13 1c54 n GLY 26 Ca 0.05 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 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 4.61 0.03 1.61 0.04 -1.26 -4.92 135.00 135.11 1c54 s PRO 27 Ca 0.00 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 62.58 1c54 s PRO 27 Cb 0.00 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 1c54 s PRO 27 CO 0.00 0.21 0.56 -0.06 0.04 0.00 0.00 177.00 177.75 1c54 s PHE 28 N -1.23 3.74 -0.04 0.56 0.40 -1.26 -4.94 117.98 115.21 1c54 s PHE 28 Ca 0.46 1.21 -0.09 0.00 -0.60 0.00 0.00 56.93 57.91 1c54 s PHE 28 Cb -0.30 -2.53 -0.05 0.00 0.51 0.00 0.00 43.02 40.65 1c54 s PHE 28 CO 0.38 0.48 0.41 -1.00 0.70 0.00 0.00 175.22 176.20 1c54 h PRO 29 N 5.07 -0.30 -6.97 0.24 0.13 -1.98 -3.46 132.00 124.73 1c54 h PRO 29 Ca -0.48 0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.13 1c54 h PRO 29 Cb 1.21 0.07 0.19 0.00 0.13 0.00 0.00 31.00 32.59 1c54 h PRO 29 CO 0.66 -0.20 -0.01 0.98 -0.23 0.00 0.00 178.00 179.20 1c54 n TYR 30 N -4.39 0.28 1.77 1.56 4.19 -1.26 -4.89 117.16 114.43 1c54 n TYR 30 Ca -0.04 0.37 0.05 0.00 3.31 0.00 0.00 57.90 61.59 1c54 n TYR 30 Cb 0.12 -2.01 0.27 0.00 0.49 0.00 0.00 39.34 38.21 1c54 n TYR 30 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1c54 n SER 31 N -2.03 0.43 -4.20 2.98 2.88 -1.26 -4.53 113.62 107.89 1c54 n SER 31 Ca 0.12 -1.75 -0.40 0.00 -1.33 0.00 0.00 58.87 55.51 1c54 n SER 31 Cb 0.51 -0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 1c54 n SER 31 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1c54 s GLN 32 N -1.92 3.52 -0.29 -1.46 -0.21 -1.26 -4.96 119.66 113.09 1c54 s GLN 32 Ca 0.17 -3.09 -0.27 0.00 0.02 0.00 0.00 55.36 52.19 1c54 s GLN 32 Cb 0.08 -4.17 0.19 0.00 1.00 0.00 0.00 33.01 30.12 1c54 s GLN 32 CO 0.13 -1.25 1.41 0.16 -2.12 0.00 0.00 175.29 173.62 1c54 s ASP 33 N 0.66 -0.03 0.00 5.90 1.47 -1.25 -3.01 116.67 120.41 1c54 s ASP 33 Ca 0.26 0.04 0.00 0.00 1.18 0.00 0.00 52.55 54.03 1c54 s ASP 33 Cb -0.10 0.04 0.00 0.00 -0.34 0.00 0.00 42.92 42.52 1c54 s ASP 33 CO -0.10 -0.02 0.00 0.61 0.68 0.00 0.00 175.17 176.35 1c54 n GLY 34 N 0.93 0.94 3.08 2.12 0.00 -1.26 -5.07 105.19 105.93 1c54 n GLY 34 Ca -0.04 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.42 0.60 0.44 1.61 -7.23 -1.26 -5.08 120.40 107.06 1c54 s VAL 35 Ca 0.00 -1.18 -0.08 0.00 -1.81 0.00 0.00 61.98 58.91 1c54 s VAL 35 Cb 0.00 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 36.14 1c54 s VAL 35 CO 0.00 -0.42 0.77 -0.69 -0.31 0.00 0.00 175.10 174.45 1c54 s VAL 36 N -1.60 4.86 -0.39 1.32 1.01 -1.26 -2.08 120.40 122.26 1c54 s VAL 36 Ca -0.07 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1c54 s VAL 36 Cb -0.08 -3.80 0.14 0.00 0.00 0.00 0.00 36.38 32.64 1c54 s VAL 36 CO 0.00 -0.69 0.24 0.12 0.00 0.00 0.00 175.10 174.77 1c54 s PHE 37 N -2.56 1.23 -0.13 5.22 5.36 0.10 -4.68 117.98 122.52 1c54 s PHE 37 Ca 0.49 -1.98 -0.04 0.00 -0.96 0.00 0.00 56.93 54.44 1c54 s PHE 37 Cb -0.10 -1.28 -0.15 0.00 -0.34 0.00 0.00 43.02 41.15 1c54 s PHE 37 CO 0.38 -0.81 2.39 0.94 -1.46 0.00 0.00 175.22 176.67 1c54 n GLN 38 N 3.74 1.36 -3.61 10.12 0.00 -1.26 -4.44 117.38 123.29 1c54 n GLN 38 Ca 0.12 -0.73 -0.12 0.00 -0.00 0.00 0.00 57.00 56.28 1c54 n GLN 38 Cb 0.37 -1.89 -0.00 0.00 0.00 0.00 0.00 30.24 28.71 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 2.88 -0.74 0.30 1.69 5.15 -1.26 -4.71 115.26 118.57 1c54 n ASN 39 Ca 0.29 -0.35 0.18 0.00 -0.60 0.00 0.00 54.58 54.11 1c54 n ASN 39 Cb 0.51 -0.42 0.95 0.00 -0.53 0.00 0.00 39.78 40.28 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 1.25 0.00 -0.00 1.20 -0.00 -2.00 0.37 114.38 115.19 1c54 h ARG 40 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.79 1c54 h ARG 40 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.34 1c54 h ARG 40 CO 0.15 0.00 -0.09 0.39 -0.00 0.00 0.00 179.97 180.42 1c54 n GLU 41 N -3.18 0.66 -4.27 0.08 1.02 -1.26 -4.94 120.64 108.75 1c54 n GLU 41 Ca -0.01 -0.19 -0.33 0.00 -0.02 0.00 0.00 57.16 56.61 1c54 n GLU 41 Cb 0.28 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.01 -0.59 -0.01 1.62 2.88 0.13 -4.82 113.62 111.82 1c54 n SER 42 Ca 0.15 -1.17 0.01 0.00 -1.33 0.00 0.00 58.87 56.53 1c54 n SER 42 Cb 0.27 -2.12 -0.04 0.00 -0.75 0.00 0.00 64.21 61.57 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 -4.41 0.11 -3.84 2.46 0.31 -1.26 -4.88 118.33 106.83 1c54 n VAL 43 Ca -0.17 -0.14 -0.37 0.00 -0.01 0.00 0.00 64.34 63.66 1c54 n VAL 43 Cb 0.61 -0.09 -0.06 0.00 -0.91 0.00 0.00 33.84 33.38 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 -3.70 4.36 -1.18 7.52 1.43 -1.26 -1.69 118.68 124.15 1c54 s LEU 44 Ca -0.02 0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 53.37 1c54 s LEU 44 Cb 0.02 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1c54 s LEU 44 CO 0.19 0.37 2.13 -0.81 0.23 0.00 0.00 176.35 178.45 1c54 n PRO 45 N 2.24 2.32 0.00 1.29 -0.04 -1.26 -4.88 135.00 134.67 1c54 n PRO 45 Ca -0.19 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 1c54 n PRO 45 Cb 0.54 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 1c54 n PRO 45 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1c54 n THR 46 N 5.39 0.00 0.00 0.52 -2.24 -1.26 -5.03 114.28 111.66 1c54 n THR 46 Ca 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 1c54 n THR 46 Cb 0.38 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1c54 n THR 46 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1c54 n GLN 47 N 0.00 0.00 -4.40 -0.78 7.27 -1.26 -5.15 117.38 113.06 1c54 n GLN 47 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.86 1c54 n GLN 47 Cb 0.00 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 1c54 n GLN 47 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1c54 s SER 48 N 0.00 2.94 0.29 1.69 1.04 -1.26 -5.14 113.70 113.26 1c54 s SER 48 Ca 0.00 -1.04 -0.23 0.00 0.48 0.00 0.00 55.95 55.16 1c54 s SER 48 Cb 0.00 -0.20 -0.09 0.00 0.10 0.00 0.00 66.02 65.83 1c54 s SER 48 CO 0.00 -0.12 0.85 -0.47 0.98 0.00 0.00 173.24 174.48 1c54 s TYR 49 N -2.82 3.63 -0.14 5.02 6.14 -1.26 -3.78 117.35 124.13 1c54 s TYR 49 Ca 0.26 1.59 0.00 0.00 0.64 0.00 0.00 57.07 59.56 1c54 s TYR 49 Cb -0.02 -2.78 0.00 0.00 0.42 0.00 0.00 41.96 39.58 1c54 s TYR 49 CO 0.10 0.22 0.00 0.41 0.64 0.00 0.00 175.55 176.92 1c54 n GLY 50 N 0.47 0.29 0.28 8.97 0.00 -1.26 -4.83 105.19 109.11 1c54 n GLY 50 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.36 0.20 -3.85 1.61 9.36 -1.25 -4.77 117.16 116.11 1c54 n TYR 51 Ca -0.01 -0.10 -0.12 0.00 3.32 0.00 0.00 57.90 60.99 1c54 n TYR 51 Cb 0.34 -0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.93 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 -1.79 -0.08 0.04 2.98 1.51 -1.26 -1.31 117.35 117.45 1c54 s TYR 52 Ca 0.10 0.18 -0.06 0.00 -1.01 0.00 0.00 57.07 56.28 1c54 s TYR 52 Cb 0.05 0.01 -0.01 0.00 -0.11 0.00 0.00 41.96 41.90 1c54 s TYR 52 CO 0.07 -0.15 0.11 -1.01 -1.11 0.00 0.00 175.55 173.46 1c54 s HIS 53 N -0.45 0.20 -0.03 2.71 3.76 -0.41 0.01 115.29 121.09 1c54 s HIS 53 Ca -0.05 -0.53 0.02 0.00 -0.15 0.00 0.00 55.06 54.35 1c54 s HIS 53 Cb -0.03 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.48 1c54 s HIS 53 CO 0.01 -0.39 -0.06 -1.21 -0.85 0.00 0.00 174.74 172.24 1c54 s GLU 54 N -2.82 2.68 -0.45 1.40 2.02 -0.88 -1.39 118.70 119.26 1c54 s GLU 54 Ca -0.03 -0.62 0.07 0.00 0.02 0.00 0.00 54.97 54.41 1c54 s GLU 54 Cb 0.00 -2.57 0.29 0.00 0.10 0.00 0.00 34.13 31.95 1c54 s GLU 54 CO -0.06 0.64 0.94 0.66 0.02 0.00 0.00 175.26 177.46 1c54 n TYR 55 N 1.85 -2.42 -1.46 1.61 4.01 -0.19 -3.92 117.16 116.64 1c54 n TYR 55 Ca -0.17 -2.35 -0.51 0.00 -0.16 0.00 0.00 57.90 54.71 1c54 n TYR 55 Cb 0.53 1.18 -0.05 0.00 -0.31 0.00 0.00 39.34 40.69 1c54 n TYR 55 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1c54 n THR 56 N 0.87 1.26 -3.35 -0.72 -1.04 -1.16 -3.61 114.28 106.52 1c54 n THR 56 Ca 0.11 -0.32 -0.40 0.00 -2.04 0.00 0.00 64.05 61.40 1c54 n THR 56 Cb 0.66 -0.14 -0.09 0.00 -1.82 0.00 0.00 70.33 68.94 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 -0.61 5.13 0.49 12.58 -7.23 -1.26 -4.85 120.40 124.66 1c54 s VAL 57 Ca 0.73 0.37 -0.19 0.00 -1.81 0.00 0.00 61.98 61.08 1c54 s VAL 57 Cb -1.01 -3.80 -0.13 0.00 0.56 0.00 0.00 36.38 31.99 1c54 s VAL 57 CO 0.56 -0.01 0.14 -0.38 -0.31 0.00 0.00 175.10 175.10 1c54 n ILE 58 N 5.23 0.84 -3.90 -0.62 5.41 -1.25 -4.65 119.36 120.41 1c54 n ILE 58 Ca -0.08 -0.50 -0.11 0.00 1.00 0.00 0.00 62.75 63.06 1c54 n ILE 58 Cb 0.50 -0.22 -0.13 0.00 -0.71 0.00 0.00 39.64 39.07 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 -1.82 0.03 0.38 1.39 2.01 -1.26 -4.48 115.64 111.88 1c54 s THR 59 Ca 0.61 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 62.15 1c54 s THR 59 Cb -0.52 -0.07 -0.09 0.00 0.01 0.00 0.00 72.50 71.83 1c54 s THR 59 CO 0.62 -0.11 1.03 -2.16 -0.69 0.00 0.00 174.62 173.31 1c54 s PRO 60 N -0.34 4.26 -1.59 4.92 0.04 -1.26 -3.18 135.00 137.85 1c54 s PRO 60 Ca -0.04 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1c54 s PRO 60 Cb -0.02 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1c54 s PRO 60 CO -0.00 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.39 1c54 n GLY 61 N 0.40 0.52 3.37 0.56 0.00 -1.26 -4.89 105.19 103.88 1c54 n GLY 61 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.63 3.78 0.45 4.61 0.00 -1.19 -4.88 121.76 121.89 1c54 s ALA 62 Ca 0.00 -3.04 0.36 0.00 0.00 0.00 0.00 51.96 49.29 1c54 s ALA 62 Cb 0.00 -3.70 1.47 0.00 0.00 0.00 0.00 23.12 20.89 1c54 s ALA 62 CO 0.00 -2.52 1.45 0.54 0.00 0.00 0.00 175.76 175.22 1c54 n ARG 63 N 5.06 -0.02 0.00 0.00 1.74 -1.26 -4.66 116.66 117.52 1c54 n ARG 63 Ca 0.15 1.11 0.00 0.00 -0.77 0.00 0.00 57.85 58.34 1c54 n ARG 63 Cb 0.47 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 1c54 n ARG 63 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1c54 n THR 64 N -4.28 0.00 0.64 0.55 -2.24 -1.26 -5.00 114.28 102.69 1c54 n THR 64 Ca 0.39 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.24 1c54 n THR 64 Cb 1.61 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 70.19 1c54 n THR 64 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1c54 n ARG 65 N 0.00 0.15 0.00 -0.78 0.63 -1.26 -4.87 116.66 110.53 1c54 n ARG 65 Ca 0.00 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1c54 n ARG 65 Cb 0.00 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.41 1c54 n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1c54 n GLY 66 N -0.04 2.94 0.04 5.14 0.00 -1.26 -3.87 105.19 108.15 1c54 n GLY 66 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1c54 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c54 n THR 67 N 0.00 0.52 -1.49 2.61 -2.24 -1.26 -4.84 114.28 107.59 1c54 n THR 67 Ca 0.00 -0.27 -0.54 0.00 -2.27 0.00 0.00 64.05 60.97 1c54 n THR 67 Cb 0.00 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.35 1c54 n THR 67 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1c54 n ARG 68 N -2.48 0.18 -3.63 -0.78 3.00 -1.25 -1.22 116.66 110.49 1c54 n ARG 68 Ca -0.14 0.07 -0.10 0.00 -0.01 0.00 0.00 57.85 57.67 1c54 n ARG 68 Cb 0.71 -1.43 -0.07 0.00 0.00 0.00 0.00 32.46 31.67 1c54 n ARG 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1c54 s ARG 69 N -0.30 0.55 -0.07 5.56 1.81 -1.26 -4.44 118.95 120.80 1c54 s ARG 69 Ca 0.81 0.56 0.05 0.00 -1.72 0.00 0.00 55.73 55.43 1c54 s ARG 69 Cb -1.11 0.27 -0.01 0.00 -0.45 0.00 0.00 34.95 33.65 1c54 s ARG 69 CO 0.56 -0.09 -0.24 0.42 -0.68 0.00 0.00 175.30 175.27 1c54 s ILE 70 N 0.03 2.01 -0.32 1.52 1.01 -1.24 -2.04 121.20 122.17 1c54 s ILE 70 Ca 0.02 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.67 1c54 s ILE 70 Cb -0.04 -1.72 0.09 0.00 0.01 0.00 0.00 42.46 40.80 1c54 s ILE 70 CO -0.04 0.56 0.04 -0.63 0.00 0.00 0.00 174.94 174.86 1c54 s ILE 71 N 0.04 1.97 0.51 2.92 -1.09 0.13 -1.03 121.20 124.65 1c54 s ILE 71 Ca -0.09 -2.05 -0.05 0.00 -2.23 0.00 0.00 60.65 56.23 1c54 s ILE 71 Cb -0.15 -2.41 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1c54 s ILE 71 CO 0.06 -0.53 0.81 0.42 -1.23 0.00 0.00 174.94 174.46 1c54 s THR 72 N 1.08 4.43 0.37 2.92 -4.23 -0.49 0.88 115.64 120.59 1c54 s THR 72 Ca 0.08 0.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.71 1c54 s THR 72 Cb -0.19 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 69.99 1c54 s THR 72 CO -0.11 -0.68 0.32 0.61 -0.54 0.00 0.00 174.62 174.22 1c54 n GLY 73 N -2.35 2.69 0.03 3.99 0.00 -0.37 -1.29 105.19 107.90 1c54 n GLY 73 Ca 0.02 -2.25 0.13 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.45 0.08 -5.09 1.61 4.07 -0.43 -4.62 120.64 114.82 1c54 n GLU 74 Ca 0.01 0.11 -0.30 0.00 -0.06 0.00 0.00 57.16 56.91 1c54 n GLU 74 Cb 0.42 -1.60 -0.17 0.00 -0.06 0.00 0.00 31.44 30.03 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 -3.04 1.95 0.56 4.31 0.00 -1.26 -5.12 121.76 119.17 1c54 s ALA 75 Ca 0.12 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 1c54 s ALA 75 Cb 0.16 -0.71 -0.08 0.00 0.00 0.00 0.00 23.12 22.49 1c54 s ALA 75 CO 0.51 0.28 0.70 2.41 0.00 0.00 0.00 175.76 179.66 1c54 n THR 76 N 3.42 2.72 -1.78 0.00 -1.04 -1.26 -3.46 114.28 112.87 1c54 n THR 76 Ca -0.19 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 1c54 n THR 76 Cb 0.53 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 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 -0.32 0.00 -2.67 -2.82 6.02 -1.26 -5.00 117.38 111.33 1c54 n GLN 77 Ca 0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.03 1c54 n GLN 77 Cb 0.46 -2.59 0.04 0.00 1.02 0.00 0.00 30.24 29.17 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 -0.80 1.18 -3.50 -1.09 1.02 -1.23 -4.84 120.64 111.39 1c54 n GLU 78 Ca 0.00 -3.20 -0.42 0.00 -0.02 0.00 0.00 57.16 53.51 1c54 n GLU 78 Cb 0.41 -1.21 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 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 -3.08 6.08 0.09 1.62 1.47 -1.25 -1.23 116.67 120.37 1c54 s ASP 79 Ca 0.27 -2.72 -0.30 0.00 1.18 0.00 0.00 52.55 50.97 1c54 s ASP 79 Cb 0.45 -2.05 -0.06 0.00 -0.34 0.00 0.00 42.92 40.91 1c54 s ASP 79 CO 0.03 -0.49 1.14 -0.31 0.68 0.00 0.00 175.17 176.21 1c54 s TYR 80 N 0.12 3.51 -0.14 2.11 2.02 0.25 -1.77 117.35 123.45 1c54 s TYR 80 Ca 0.17 1.45 -0.01 0.00 -0.37 0.00 0.00 57.07 58.31 1c54 s TYR 80 Cb -0.15 -3.34 -0.01 0.00 -0.40 0.00 0.00 41.96 38.06 1c54 s TYR 80 CO -0.06 -0.91 -0.12 -0.47 -1.57 0.00 0.00 175.55 172.42 1c54 s TYR 81 N 0.62 2.83 -0.03 2.71 6.14 -0.12 0.17 117.35 129.67 1c54 s TYR 81 Ca 0.55 -0.71 -0.02 0.00 0.64 0.00 0.00 57.07 57.53 1c54 s TYR 81 Cb -0.28 -1.88 -0.01 0.00 0.42 0.00 0.00 41.96 40.21 1c54 s TYR 81 CO 0.31 -0.27 -0.04 -2.37 0.64 0.00 0.00 175.55 173.83 1c54 n THR 82 N 3.70 0.29 -0.77 4.34 5.66 -0.87 -0.25 114.28 126.39 1c54 n THR 82 Ca -0.18 0.44 0.00 0.00 -3.05 0.00 0.00 64.05 61.26 1c54 n THR 82 Cb 0.52 -1.68 0.00 0.00 -1.55 0.00 0.00 70.33 67.62 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 1.72 0.29 0.14 1.09 0.00 -1.25 -4.55 105.19 102.63 1c54 n GLY 83 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.19 1.02 -2.51 1.61 2.03 -1.25 -4.30 116.55 112.95 1c54 n ASP 84 Ca 0.00 -1.97 -0.03 0.00 0.52 0.00 0.00 54.79 53.32 1c54 n ASP 84 Cb 0.10 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 -0.45 -3.03 -2.29 -0.67 -0.00 -0.35 -3.96 115.22 104.47 1c54 n HIS 85 Ca 0.04 1.30 -0.11 0.00 -0.00 0.00 0.00 57.72 58.95 1c54 n HIS 85 Cb 0.52 -3.54 -0.01 0.00 -0.00 0.00 0.00 29.99 26.96 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 0.19 -1.35 0.04 1.57 4.01 -1.26 -4.76 117.16 115.59 1c54 n TYR 86 Ca 0.04 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.86 1c54 n TYR 86 Cb 0.15 -2.49 -0.12 0.00 -0.31 0.00 0.00 39.34 36.57 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 -1.91 2.66 -3.29 -0.72 0.00 -1.25 -5.03 120.51 110.96 1c54 n ALA 87 Ca -0.12 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 1c54 n ALA 87 Cb 0.56 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 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 -3.04 0.01 -0.29 0.00 -4.23 -1.26 -5.03 115.64 101.80 1c54 s THR 88 Ca -0.05 -1.25 -0.04 0.00 -1.18 0.00 0.00 61.69 59.17 1c54 s THR 88 Cb 0.10 -2.06 0.16 0.00 1.34 0.00 0.00 72.50 72.04 1c54 s THR 88 CO 0.65 -0.03 0.57 -0.36 -0.54 0.00 0.00 174.62 174.91 1c54 s PHE 89 N -3.98 -1.40 -0.26 3.99 0.08 -1.19 -3.65 117.98 111.58 1c54 s PHE 89 Ca 0.18 1.76 -0.01 0.00 0.12 0.00 0.00 56.93 58.98 1c54 s PHE 89 Cb -0.01 0.55 0.08 0.00 -0.57 0.00 0.00 43.02 43.06 1c54 s PHE 89 CO 0.07 -0.78 0.06 -1.12 -0.10 0.00 0.00 175.22 173.34 1c54 s SER 90 N 2.82 3.57 1.00 1.36 0.01 0.66 -2.79 113.70 120.33 1c54 s SER 90 Ca 0.12 -1.26 -0.20 0.00 1.31 0.00 0.00 55.95 55.91 1c54 s SER 90 Cb -0.14 -0.79 -0.15 0.00 0.21 0.00 0.00 66.02 65.15 1c54 s SER 90 CO -0.19 -0.35 -0.93 0.18 0.41 0.00 0.00 173.24 172.35 1c54 n LEU 91 N 4.91 -4.76 -4.46 2.44 4.77 -0.58 -0.94 117.00 118.38 1c54 n LEU 91 Ca -0.06 0.13 -0.33 0.00 -0.03 0.00 0.00 56.01 55.72 1c54 n LEU 91 Cb 0.44 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.68 1c54 n LEU 91 CO 0.13 -4.83 -0.43 -0.63 -1.33 0.00 0.00 177.39 170.29 1c54 s ILE 92 N -2.03 3.25 -0.57 -0.08 1.09 -0.73 0.89 121.20 123.02 1c54 s ILE 92 Ca 0.40 -0.63 -0.02 0.00 -1.10 0.00 0.00 60.65 59.31 1c54 s ILE 92 Cb -0.10 -2.33 0.15 0.00 -1.06 0.00 0.00 42.46 39.12 1c54 s ILE 92 CO 0.77 0.56 0.37 -0.62 -0.10 0.00 0.00 174.94 175.92 1c54 s ASP 93 N -0.29 5.11 0.29 3.58 2.15 -0.25 -4.79 116.67 122.46 1c54 s ASP 93 Ca 0.03 -2.72 -0.01 0.00 0.43 0.00 0.00 52.55 50.28 1c54 s ASP 93 Cb -0.13 -1.82 0.42 0.00 -0.30 0.00 0.00 42.92 41.10 1c54 s ASP 93 CO 0.03 -0.38 1.85 1.56 -0.17 0.00 0.00 175.17 178.06 1c54 h GLN 94 N 7.15 0.86 -0.25 4.34 7.50 -1.95 -1.08 115.11 131.68 1c54 h GLN 94 Ca -0.04 -0.15 0.07 0.00 0.50 0.00 0.00 58.65 59.03 1c54 h GLN 94 Cb 0.96 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.34 1c54 h GLN 94 CO 0.70 0.73 0.32 0.00 -1.50 0.00 0.00 178.83 179.09 1c54 h THR 95 N 0.84 0.34 -0.01 -0.54 1.03 -1.99 -3.44 112.91 109.15 1c54 h THR 95 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.59 1c54 h THR 95 Cb 0.22 0.73 0.00 0.00 -1.07 0.00 0.00 68.15 68.03 1c54 h THR 95 CO -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.50