#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 4.38 -1.17 2.12 1.01 -1.26 -4.72 120.40 120.76 1c54 s VAL 2 Ca 0.00 1.96 0.06 0.00 0.00 0.00 0.00 61.98 64.00 1c54 s VAL 2 Cb 0.00 -4.25 0.08 0.00 0.00 0.00 0.00 36.38 32.21 1c54 s VAL 2 CO 0.00 0.29 1.15 -1.20 0.00 0.00 0.00 175.10 175.34 1c54 n SER 3 N 2.84 0.00 0.00 3.32 7.64 -0.67 -4.92 113.62 121.83 1c54 n SER 3 Ca 0.03 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1c54 n SER 3 Cb 0.49 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.80 2.85 3.88 0.23 0.00 -1.26 -5.05 105.19 105.04 1c54 n GLY 4 Ca 0.02 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.03 1.99 -0.22 2.61 2.01 -1.26 -2.11 115.64 116.62 1c54 s THR 5 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1c54 s THR 5 Cb 0.00 -2.94 0.10 0.00 0.01 0.00 0.00 72.50 69.67 1c54 s THR 5 CO 0.00 0.00 0.24 0.54 -0.69 0.00 0.00 174.62 174.71 1c54 s VAL 6 N -3.58 -0.34 0.19 3.82 0.11 0.23 -4.74 120.40 116.09 1c54 s VAL 6 Ca 0.65 -0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 59.21 1c54 s VAL 6 Cb -0.10 -0.75 -0.17 0.00 -1.53 0.00 0.00 36.38 33.84 1c54 s VAL 6 CO 0.51 -0.26 0.75 0.00 -3.33 0.00 0.00 175.10 172.76 1c54 h LEU 8 N 1.67 0.35 -0.79 0.00 6.46 -1.27 0.83 115.31 122.54 1c54 h LEU 8 Ca -0.34 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 1c54 h LEU 8 Cb 1.41 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1c54 h LEU 8 CO 0.60 0.25 0.00 -1.28 -0.62 0.00 0.00 178.44 177.39 1c54 h SER 9 N 0.41 0.00 0.34 1.25 0.87 -1.85 -2.47 113.55 112.10 1c54 h SER 9 Ca 0.12 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.40 1c54 h SER 9 Cb -0.02 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1c54 h SER 9 CO -0.03 0.00 -1.19 0.00 -0.53 0.00 0.00 176.83 175.08 1c54 h ALA 10 N 2.23 0.10 -2.48 6.23 0.00 -1.17 -3.46 119.26 120.70 1c54 h ALA 10 Ca 0.00 -0.80 -0.48 0.00 0.00 0.00 0.00 54.91 53.63 1c54 h ALA 10 Cb 0.43 0.06 0.10 0.00 0.00 0.00 0.00 17.79 18.37 1c54 h ALA 10 CO 0.00 0.80 0.38 -0.51 0.00 0.00 0.00 179.25 179.92 1c54 s LEU 11 N -7.61 2.62 1.05 0.00 1.43 -0.93 -5.04 118.68 110.22 1c54 s LEU 11 Ca -0.07 1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 54.01 1c54 s LEU 11 Cb 0.07 -3.73 0.22 0.00 0.03 0.00 0.00 46.19 42.78 1c54 s LEU 11 CO 0.90 -1.79 1.08 -2.16 0.23 0.00 0.00 176.35 174.61 1c54 s PRO 12 N -5.33 -0.02 0.33 1.29 0.04 -1.26 -4.92 135.00 125.13 1c54 s PRO 12 Ca 0.60 0.56 0.26 0.00 0.04 0.00 0.00 61.00 62.47 1c54 s PRO 12 Cb -0.13 -1.68 1.10 0.00 0.04 0.00 0.00 34.50 33.84 1c54 s PRO 12 CO 0.52 -3.05 1.78 -1.00 0.04 0.00 0.00 177.00 175.29 1c54 h PRO 13 N -2.12 0.00 -0.26 0.56 0.13 -1.97 -2.10 132.00 126.23 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 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1c54 h PRO 13 CO 0.56 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 1c54 n GLU 14 N -2.43 2.05 -0.03 0.86 1.02 -1.26 -3.97 120.64 116.87 1c54 n GLU 14 Ca 0.01 -1.58 -0.17 0.00 -0.02 0.00 0.00 57.16 55.40 1c54 n GLU 14 Cb 0.23 -1.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.08 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 4.23 -0.00 -0.05 0.62 0.00 -1.61 -3.23 119.26 119.22 1c54 h ALA 15 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.30 1c54 h ALA 15 Cb 0.69 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1c54 h ALA 15 CO 0.00 0.19 0.10 0.00 0.00 0.00 0.00 179.25 179.54 1c54 h THR 16 N -0.78 0.28 -0.09 0.00 1.03 -1.71 -2.81 112.91 108.82 1c54 h THR 16 Ca -0.08 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.36 1c54 h THR 16 Cb 1.24 0.91 -0.06 0.00 -1.07 0.00 0.00 68.15 69.17 1c54 h THR 16 CO 0.04 0.00 -0.46 -0.78 -0.01 0.00 0.00 175.52 174.31 1c54 h ASP 17 N 0.00 -1.43 -0.21 0.00 1.82 -1.73 0.19 116.42 115.07 1c54 h ASP 17 Ca 0.02 0.18 0.04 0.00 -0.39 0.00 0.00 57.03 56.88 1c54 h ASP 17 Cb 0.22 0.57 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 1c54 h ASP 17 CO -0.00 -0.46 -0.01 0.74 -1.61 0.00 0.00 179.24 177.91 1c54 h THR 18 N -0.55 0.84 -0.77 2.25 2.02 -1.67 0.33 112.91 115.37 1c54 h THR 18 Ca 0.06 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.33 1c54 h THR 18 Cb 0.66 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 1c54 h THR 18 CO -0.39 0.01 0.50 -0.07 0.37 0.00 0.00 175.52 175.95 1c54 h LEU 19 N 0.06 0.56 -0.58 2.58 3.38 -1.52 0.35 115.31 120.13 1c54 h LEU 19 Ca 0.10 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1c54 h LEU 19 Cb 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1c54 h LEU 19 CO -0.17 0.32 -0.26 -1.13 0.09 0.00 0.00 178.44 177.28 1c54 h ASN 20 N 0.61 0.88 0.03 -0.43 -0.73 0.64 0.23 115.58 116.82 1c54 h ASN 20 Ca 0.36 -0.34 -0.12 0.00 1.87 0.00 0.00 56.30 58.07 1c54 h ASN 20 Cb 0.58 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 1c54 h ASN 20 CO -0.14 1.09 -0.39 -0.07 -0.37 0.00 0.00 177.43 177.55 1c54 h LEU 21 N 0.73 0.49 -0.36 0.34 3.38 0.12 0.80 115.31 120.81 1c54 h LEU 21 Ca 0.09 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 1c54 h LEU 21 Cb 0.80 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1c54 h LEU 21 CO 0.07 0.84 -0.36 0.40 0.09 0.00 0.00 178.44 179.48 1c54 h ILE 22 N 0.39 1.28 -0.20 1.22 5.03 0.05 0.59 117.51 125.88 1c54 h ILE 22 Ca 0.04 -1.53 -0.15 0.00 -0.12 0.00 0.00 64.86 63.10 1c54 h ILE 22 Cb 0.86 1.43 0.00 0.00 -3.03 0.00 0.00 36.82 36.08 1c54 h ILE 22 CO 0.07 0.51 -0.45 0.00 -0.68 0.00 0.00 178.15 177.59 1c54 h ALA 23 N 0.76 0.32 -0.35 1.87 0.00 -0.27 -3.11 119.26 118.47 1c54 h ALA 23 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1c54 h ALA 23 Cb 0.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1c54 h ALA 23 CO 0.09 0.46 0.00 0.45 0.00 0.00 0.00 179.25 180.25 1c54 n SER 24 N -4.19 2.30 -4.23 0.00 2.88 0.28 -4.94 113.62 105.72 1c54 n SER 24 Ca -0.06 -1.91 -0.34 0.00 -1.33 0.00 0.00 58.87 55.23 1c54 n SER 24 Cb 0.57 -0.23 -0.07 0.00 -0.75 0.00 0.00 64.21 63.73 1c54 n SER 24 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1c54 n ASP 25 N 0.75 -0.30 0.00 -3.46 2.03 0.18 -4.53 116.55 111.21 1c54 n ASP 25 Ca 0.16 -1.26 0.00 0.00 0.52 0.00 0.00 54.79 54.21 1c54 n ASP 25 Cb 0.39 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 1c54 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c54 n GLY 26 N -2.44 -1.79 3.76 0.27 0.00 0.18 -4.89 105.19 100.29 1c54 n GLY 26 Ca -0.27 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 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 4.49 -0.11 1.61 0.04 -1.26 -4.83 135.00 134.94 1c54 s PRO 27 Ca 0.00 1.77 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 1c54 s PRO 27 Cb 0.00 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.47 1c54 s PRO 27 CO 0.00 0.09 0.36 -0.06 0.04 0.00 0.00 177.00 177.43 1c54 s PHE 28 N -1.27 3.55 -0.06 0.56 0.40 -1.26 -4.96 117.98 114.93 1c54 s PHE 28 Ca 0.48 0.77 -0.10 0.00 -0.60 0.00 0.00 56.93 57.48 1c54 s PHE 28 Cb -0.30 -2.37 -0.06 0.00 0.51 0.00 0.00 43.02 40.80 1c54 s PHE 28 CO 0.39 0.34 0.41 -1.00 0.70 0.00 0.00 175.22 176.06 1c54 h PRO 29 N 6.13 -0.31 -7.24 0.24 0.13 -1.99 -3.46 132.00 125.51 1c54 h PRO 29 Ca -0.44 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.18 1c54 h PRO 29 Cb 1.18 0.07 0.19 0.00 0.13 0.00 0.00 31.00 32.57 1c54 h PRO 29 CO 0.71 -0.17 0.29 0.71 -0.23 0.00 0.00 178.00 179.31 1c54 s TYR 30 N -2.66 1.74 -0.96 1.56 1.51 -1.26 -4.93 117.35 112.36 1c54 s TYR 30 Ca -0.05 1.72 0.25 0.00 -1.01 0.00 0.00 57.07 57.98 1c54 s TYR 30 Cb 0.00 -3.41 1.05 0.00 -0.11 0.00 0.00 41.96 39.49 1c54 s TYR 30 CO 0.17 -2.80 1.80 0.45 -1.11 0.00 0.00 175.55 174.06 1c54 n SER 31 N -3.69 0.10 -4.43 2.29 2.88 -1.26 -4.59 113.62 104.91 1c54 n SER 31 Ca 0.13 0.51 -0.44 0.00 -1.33 0.00 0.00 58.87 57.73 1c54 n SER 31 Cb 0.51 -0.54 -0.02 0.00 -0.75 0.00 0.00 64.21 63.42 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 -3.02 3.73 0.00 -1.46 -0.21 -1.26 -4.85 119.66 112.59 1c54 s GLN 32 Ca 0.12 -2.10 0.00 0.00 0.02 0.00 0.00 55.36 53.40 1c54 s GLN 32 Cb 0.16 -4.86 0.00 0.00 1.00 0.00 0.00 33.01 29.31 1c54 s GLN 32 CO 0.47 -1.67 0.00 -0.40 -2.12 0.00 0.00 175.29 171.57 1c54 n ASP 33 N 5.80 0.00 0.00 5.90 5.68 -1.24 -2.51 116.55 130.17 1c54 n ASP 33 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 1c54 n ASP 33 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 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 -0.24 1.13 3.29 6.12 0.00 -1.24 -5.05 105.19 109.19 1c54 n GLY 34 Ca 0.00 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 1.82 0.52 1.61 -7.23 -1.26 -5.05 120.40 108.82 1c54 s VAL 35 Ca 0.00 -1.38 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 1c54 s VAL 35 Cb 0.00 -1.60 -0.06 0.00 0.56 0.00 0.00 36.38 35.28 1c54 s VAL 35 CO 0.00 0.15 0.94 -0.69 -0.31 0.00 0.00 175.10 175.19 1c54 s VAL 36 N -0.92 4.67 -0.38 1.32 1.01 -1.26 -1.03 120.40 123.82 1c54 s VAL 36 Ca 0.09 0.89 0.02 0.00 0.00 0.00 0.00 61.98 62.98 1c54 s VAL 36 Cb -0.09 -3.78 0.15 0.00 0.00 0.00 0.00 36.38 32.65 1c54 s VAL 36 CO 0.03 -0.81 0.26 0.12 0.00 0.00 0.00 175.10 174.70 1c54 s PHE 37 N -2.76 0.94 -0.23 5.22 5.36 -0.44 -4.63 117.98 121.44 1c54 s PHE 37 Ca 0.55 -1.93 -0.03 0.00 -0.96 0.00 0.00 56.93 54.56 1c54 s PHE 37 Cb -0.10 -0.98 -0.11 0.00 -0.34 0.00 0.00 43.02 41.50 1c54 s PHE 37 CO 0.40 -0.82 1.99 0.94 -1.46 0.00 0.00 175.22 176.27 1c54 n GLN 38 N 3.56 1.20 -3.74 10.12 0.00 -1.26 -4.47 117.38 122.80 1c54 n GLN 38 Ca 0.18 -0.72 -0.22 0.00 -0.00 0.00 0.00 57.00 56.24 1c54 n GLN 38 Cb 0.41 -1.93 -0.02 0.00 0.00 0.00 0.00 30.24 28.70 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 3.20 -0.93 -0.01 1.69 5.15 -1.26 -4.75 115.26 118.35 1c54 n ASN 39 Ca 0.26 -0.73 0.17 0.00 -0.60 0.00 0.00 54.58 53.67 1c54 n ASN 39 Cb 0.35 -0.89 0.62 0.00 -0.53 0.00 0.00 39.78 39.33 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 -0.35 0.14 0.00 1.20 -0.00 -1.97 0.39 114.38 113.79 1c54 h ARG 40 Ca -0.39 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.08 1c54 h ARG 40 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.73 1c54 h ARG 40 CO 0.34 0.09 0.00 0.39 0.00 0.00 0.00 179.97 180.79 1c54 n GLU 41 N -4.43 0.18 -4.31 0.04 1.02 -1.26 -4.92 120.64 106.95 1c54 n GLU 41 Ca 0.09 0.02 -0.36 0.00 -0.02 0.00 0.00 57.16 56.88 1c54 n GLU 41 Cb 0.49 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 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 -1.41 -1.88 -0.01 1.62 2.88 0.14 -4.82 113.62 110.14 1c54 n SER 42 Ca 0.10 -1.12 0.07 0.00 -1.33 0.00 0.00 58.87 56.58 1c54 n SER 42 Cb 0.28 -2.26 -0.10 0.00 -0.75 0.00 0.00 64.21 61.38 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 -4.31 0.00 -3.35 2.46 0.31 -1.26 -4.78 118.33 107.39 1c54 n VAL 43 Ca -0.01 -0.29 -0.33 0.00 -0.01 0.00 0.00 64.34 63.69 1c54 n VAL 43 Cb 0.53 0.34 -0.06 0.00 -0.91 0.00 0.00 33.84 33.75 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 4.23 -0.97 7.52 2.01 -1.26 0.27 118.68 126.78 1c54 s LEU 44 Ca -0.03 1.03 -0.07 0.00 0.01 0.00 0.00 54.13 55.07 1c54 s LEU 44 Cb 0.09 -3.56 -0.12 0.00 0.01 0.00 0.00 46.19 42.61 1c54 s LEU 44 CO 0.57 -0.02 2.81 -0.81 1.01 0.00 0.00 176.35 179.92 1c54 n PRO 45 N 0.23 2.71 0.00 1.29 -0.04 -1.26 -4.53 135.00 133.40 1c54 n PRO 45 Ca -0.02 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1c54 n PRO 45 Cb 0.52 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 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 3.43 0.00 0.00 0.52 -1.04 -1.26 -5.07 114.28 110.86 1c54 n THR 46 Ca 0.58 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 1c54 n THR 46 Cb 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 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 -1.13 -2.82 7.27 -1.26 -5.01 117.38 114.42 1c54 n GLN 47 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 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 -3.02 -4.53 1.69 3.41 -1.26 -4.70 113.62 105.20 1c54 n SER 48 Ca 0.00 0.64 -0.37 0.00 -0.26 0.00 0.00 58.87 58.88 1c54 n SER 48 Cb 0.00 -0.77 -0.11 0.00 -0.26 0.00 0.00 64.21 63.07 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 -1.69 3.17 0.00 7.33 5.04 -1.26 -4.36 117.35 125.58 1c54 s TYR 49 Ca 0.52 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.01 1c54 s TYR 49 Cb -0.49 -2.26 0.00 0.00 0.35 0.00 0.00 41.96 39.56 1c54 s TYR 49 CO 0.58 -0.19 0.00 0.41 -1.34 0.00 0.00 175.55 175.01 1c54 n GLY 50 N 4.69 3.19 0.12 8.97 0.00 -1.26 -4.84 105.19 116.07 1c54 n GLY 50 Ca -0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.46 0.63 -4.38 1.61 9.36 -1.26 -4.65 117.16 117.00 1c54 n TYR 51 Ca 0.00 0.30 -0.24 0.00 3.32 0.00 0.00 57.90 61.27 1c54 n TYR 51 Cb 0.00 -0.98 -0.09 0.00 -0.63 0.00 0.00 39.34 37.65 1c54 n TYR 51 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1c54 s TYR 52 N -3.39 2.50 0.15 2.98 1.51 -1.26 0.22 117.35 120.06 1c54 s TYR 52 Ca 0.00 -0.36 -0.22 0.00 -1.01 0.00 0.00 57.07 55.48 1c54 s TYR 52 Cb 0.07 -1.28 0.06 0.00 -0.11 0.00 0.00 41.96 40.70 1c54 s TYR 52 CO 0.23 0.59 0.57 -1.01 -1.11 0.00 0.00 175.55 174.82 1c54 s HIS 53 N -2.48 -0.49 -0.06 2.71 3.76 -0.83 -1.33 115.29 116.57 1c54 s HIS 53 Ca 0.32 0.27 0.05 0.00 -0.15 0.00 0.00 55.06 55.55 1c54 s HIS 53 Cb -0.03 0.51 -0.02 0.00 1.11 0.00 0.00 32.58 34.15 1c54 s HIS 53 CO 0.18 -0.82 -0.21 -1.21 -0.85 0.00 0.00 174.74 171.83 1c54 s GLU 54 N -3.71 2.60 -0.46 1.40 2.02 -0.19 -2.13 118.70 118.23 1c54 s GLU 54 Ca 0.01 -0.82 0.06 0.00 0.02 0.00 0.00 54.97 54.24 1c54 s GLU 54 Cb -0.01 -2.27 0.21 0.00 0.10 0.00 0.00 34.13 32.17 1c54 s GLU 54 CO -0.12 0.44 0.64 0.66 0.02 0.00 0.00 175.26 176.90 1c54 n TYR 55 N 2.80 -2.39 -1.47 1.61 4.01 0.11 -3.68 117.16 118.15 1c54 n TYR 55 Ca -0.17 -2.33 -0.48 0.00 -0.16 0.00 0.00 57.90 54.76 1c54 n TYR 55 Cb 0.52 0.88 -0.03 0.00 -0.31 0.00 0.00 39.34 40.40 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 2.29 1.71 -3.35 -0.72 -1.04 -1.04 -3.41 114.28 108.72 1c54 n THR 56 Ca 0.19 -0.43 -0.44 0.00 -2.04 0.00 0.00 64.05 61.33 1c54 n THR 56 Cb 0.55 -0.29 -0.08 0.00 -1.82 0.00 0.00 70.33 68.69 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 -0.85 5.15 0.40 12.58 0.11 -1.26 -4.82 120.40 131.71 1c54 s VAL 57 Ca 0.66 -0.77 -0.20 0.00 -2.93 0.00 0.00 61.98 58.74 1c54 s VAL 57 Cb -0.91 -4.11 -0.15 0.00 -1.53 0.00 0.00 36.38 29.68 1c54 s VAL 57 CO 0.57 -0.55 0.07 -0.38 -3.33 0.00 0.00 175.10 171.47 1c54 n ILE 58 N 5.31 0.57 -3.82 7.04 -0.00 -1.26 -4.73 119.36 122.48 1c54 n ILE 58 Ca -0.10 -0.48 -0.12 0.00 -0.00 0.00 0.00 62.75 62.04 1c54 n ILE 58 Cb 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 39.64 39.97 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 -1.65 0.01 0.41 1.39 2.01 -1.26 -4.51 115.64 112.04 1c54 s THR 59 Ca 0.57 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 62.29 1c54 s THR 59 Cb -0.61 -0.24 -0.09 0.00 0.01 0.00 0.00 72.50 71.57 1c54 s THR 59 CO 0.61 -0.03 1.07 -2.16 -0.69 0.00 0.00 174.62 173.42 1c54 s PRO 60 N -0.01 4.08 -1.76 4.92 0.04 -1.26 -3.27 135.00 137.74 1c54 s PRO 60 Ca -0.01 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1c54 s PRO 60 Cb -0.02 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1c54 s PRO 60 CO 0.00 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.23 1c54 n GLY 61 N 0.31 0.54 3.40 0.56 0.00 -1.26 -4.90 105.19 103.84 1c54 n GLY 61 Ca 0.06 0.00 -0.45 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 -2.76 3.62 0.52 4.61 0.00 -1.20 -4.88 121.76 121.66 1c54 s ALA 62 Ca 0.00 -2.88 0.44 0.00 0.00 0.00 0.00 51.96 49.52 1c54 s ALA 62 Cb 0.00 -3.80 1.66 0.00 0.00 0.00 0.00 23.12 20.98 1c54 s ALA 62 CO 0.00 -2.66 1.57 0.54 0.00 0.00 0.00 175.76 175.21 1c54 n ARG 63 N 5.65 -0.01 0.00 0.00 1.74 -1.26 -4.64 116.66 118.14 1c54 n ARG 63 Ca 0.16 1.15 0.00 0.00 -0.77 0.00 0.00 57.85 58.39 1c54 n ARG 63 Cb 0.48 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 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 -4.22 0.00 0.27 0.55 -2.24 -1.26 -5.00 114.28 102.38 1c54 n THR 64 Ca 0.43 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.39 1c54 n THR 64 Cb 1.87 0.00 0.95 0.00 -2.10 0.00 0.00 70.33 71.05 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 -2.81 -0.78 3.08 -1.98 -3.47 114.38 108.42 1c54 h ARG 65 Ca 0.00 0.00 0.29 0.00 0.07 0.00 0.00 59.98 60.34 1c54 h ARG 65 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 1c54 h ARG 65 CO 0.00 0.00 -0.96 0.41 -1.07 0.00 0.00 179.97 178.35 1c54 n GLY 66 N -1.17 -3.08 0.02 0.04 0.00 -1.26 -4.33 105.19 95.41 1c54 n GLY 66 Ca -0.02 -1.14 0.05 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.91 1.36 -1.93 2.61 -2.24 -1.26 -4.71 114.28 104.19 1c54 n THR 67 Ca -0.07 0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 61.66 1c54 n THR 67 Cb 0.55 -1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 67.51 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 -3.06 4.20 -0.07 -0.78 1.81 -1.26 -0.06 118.95 119.71 1c54 s ARG 68 Ca 0.04 2.32 -0.13 0.00 -1.72 0.00 0.00 55.73 56.24 1c54 s ARG 68 Cb 0.06 -3.65 0.03 0.00 -0.45 0.00 0.00 34.95 30.94 1c54 s ARG 68 CO 0.17 -0.75 0.32 1.03 -0.68 0.00 0.00 175.30 175.39 1c54 s ARG 69 N 2.81 0.52 -0.04 3.54 1.81 -1.26 -4.03 118.95 122.30 1c54 s ARG 69 Ca 0.74 0.14 0.07 0.00 -1.72 0.00 0.00 55.73 54.96 1c54 s ARG 69 Cb -0.39 0.24 -0.01 0.00 -0.45 0.00 0.00 34.95 34.33 1c54 s ARG 69 CO 0.32 -0.11 -0.25 0.42 -0.68 0.00 0.00 175.30 175.00 1c54 s ILE 70 N -0.54 2.01 -0.30 1.52 1.01 -1.22 -1.87 121.20 121.80 1c54 s ILE 70 Ca -0.07 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.53 1c54 s ILE 70 Cb -0.04 -1.69 0.09 0.00 0.01 0.00 0.00 42.46 40.84 1c54 s ILE 70 CO 0.02 0.56 0.05 -0.63 0.00 0.00 0.00 174.94 174.95 1c54 s ILE 71 N -0.31 1.37 0.49 2.92 -1.09 0.75 -0.71 121.20 124.62 1c54 s ILE 71 Ca 0.01 -1.59 -0.03 0.00 -2.23 0.00 0.00 60.65 56.82 1c54 s ILE 71 Cb -0.12 -1.94 -0.01 0.00 -1.58 0.00 0.00 42.46 38.81 1c54 s ILE 71 CO 0.02 -0.52 0.75 0.42 -1.23 0.00 0.00 174.94 174.38 1c54 s THR 72 N 1.39 4.15 0.35 2.92 -4.23 -0.90 0.89 115.64 120.21 1c54 s THR 72 Ca 0.07 -0.22 0.09 0.00 -1.18 0.00 0.00 61.69 60.45 1c54 s THR 72 Cb -0.18 -3.57 -0.06 0.00 1.34 0.00 0.00 72.50 70.03 1c54 s THR 72 CO -0.16 -0.49 0.01 -0.83 -0.54 0.00 0.00 174.62 172.61 1c54 s GLY 73 N -4.21 2.14 0.29 3.99 0.00 -0.29 -1.97 107.32 107.27 1c54 s GLY 73 Ca 0.49 -2.02 0.23 0.00 0.00 0.00 0.00 44.72 43.42 1c54 s GLY 73 CO 0.41 -1.94 1.71 -2.21 0.00 0.00 0.00 173.10 171.07 1c54 n GLU 74 N -0.95 0.18 -4.21 2.90 4.07 0.13 -4.40 120.64 118.36 1c54 n GLU 74 Ca -0.04 0.51 -0.34 0.00 -0.06 0.00 0.00 57.16 57.22 1c54 n GLU 74 Cb 0.63 -1.92 -0.11 0.00 -0.06 0.00 0.00 31.44 29.98 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 -3.41 3.23 0.43 4.31 0.00 -1.26 -5.08 121.76 119.96 1c54 s ALA 75 Ca 0.02 -0.78 -0.25 0.00 0.00 0.00 0.00 51.96 50.95 1c54 s ALA 75 Cb 0.08 -1.72 -0.10 0.00 0.00 0.00 0.00 23.12 21.38 1c54 s ALA 75 CO 0.33 0.24 1.18 2.41 0.00 0.00 0.00 175.76 179.92 1c54 n THR 76 N 3.37 2.58 -2.24 0.00 -1.04 -1.26 -3.13 114.28 112.56 1c54 n THR 76 Ca -0.17 -0.50 -0.00 0.00 -2.04 0.00 0.00 64.05 61.33 1c54 n THR 76 Cb 0.52 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 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 0.03 -0.09 -2.57 -2.82 6.02 -1.26 -5.00 117.38 111.70 1c54 n GLN 77 Ca 0.08 0.02 -0.18 0.00 -0.01 0.00 0.00 57.00 56.91 1c54 n GLN 77 Cb 0.40 -3.10 0.01 0.00 1.02 0.00 0.00 30.24 28.57 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 -0.83 2.31 -3.59 -1.09 1.02 -1.18 -4.87 120.64 112.41 1c54 n GLU 78 Ca -0.00 -3.89 -0.40 0.00 -0.02 0.00 0.00 57.16 52.84 1c54 n GLU 78 Cb 0.50 -1.76 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 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 -3.34 5.64 -0.01 1.62 -4.77 -1.25 -1.14 116.67 113.41 1c54 s ASP 79 Ca 0.38 -1.85 -0.19 0.00 -3.30 0.00 0.00 52.55 47.59 1c54 s ASP 79 Cb 0.43 -1.98 -0.05 0.00 -1.09 0.00 0.00 42.92 40.22 1c54 s ASP 79 CO -0.08 -0.65 0.55 -0.31 0.70 0.00 0.00 175.17 175.39 1c54 s TYR 80 N 1.35 3.67 -0.14 2.11 2.02 0.26 -0.64 117.35 125.97 1c54 s TYR 80 Ca 0.05 1.14 -0.00 0.00 -0.37 0.00 0.00 57.07 57.89 1c54 s TYR 80 Cb -0.25 -2.56 -0.01 0.00 -0.40 0.00 0.00 41.96 38.74 1c54 s TYR 80 CO -0.01 0.38 -0.14 -0.47 -1.57 0.00 0.00 175.55 173.74 1c54 s TYR 81 N -0.24 2.80 -0.01 2.71 6.14 0.62 -0.18 117.35 129.18 1c54 s TYR 81 Ca 0.29 -0.85 -0.01 0.00 0.64 0.00 0.00 57.07 57.15 1c54 s TYR 81 Cb -0.18 -1.87 -0.00 0.00 0.42 0.00 0.00 41.96 40.33 1c54 s TYR 81 CO 0.16 -0.35 -0.01 0.00 0.64 0.00 0.00 175.55 175.98 1c54 h THR 82 N 5.55 0.00 0.00 4.34 1.03 -1.45 0.37 112.91 122.75 1c54 h THR 82 Ca -0.29 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.00 1c54 h THR 82 Cb 1.20 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 1c54 h THR 82 CO 0.56 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.68 1c54 n GLY 83 N 1.81 0.41 0.01 2.99 0.00 -1.23 -4.56 105.19 104.63 1c54 n GLY 83 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.09 1.02 -2.52 1.61 8.00 -1.16 -4.40 116.55 119.01 1c54 n ASP 84 Ca 0.00 -1.55 -0.06 0.00 0.71 0.00 0.00 54.79 53.89 1c54 n ASP 84 Cb 0.05 -0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.14 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 -0.27 -2.65 -2.06 1.24 -0.00 0.91 -3.78 115.22 108.60 1c54 n HIS 85 Ca 0.00 1.07 -0.17 0.00 0.46 0.00 0.00 57.72 59.09 1c54 n HIS 85 Cb 0.39 -3.46 -0.03 0.00 -0.12 0.00 0.00 29.99 26.76 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 -0.34 -0.83 0.87 1.57 4.01 -1.26 -4.83 117.16 116.36 1c54 n TYR 86 Ca 0.09 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.92 1c54 n TYR 86 Cb 0.34 -3.22 -0.08 0.00 -0.31 0.00 0.00 39.34 36.07 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 -0.97 4.20 -3.79 -0.72 0.00 -1.25 -5.01 120.51 112.97 1c54 n ALA 87 Ca -0.19 -0.54 -0.06 0.00 0.00 0.00 0.00 53.44 52.66 1c54 n ALA 87 Cb 0.61 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.64 0.00 -0.29 0.00 -4.23 -1.26 -5.01 115.64 102.22 1c54 s THR 88 Ca 0.09 -0.79 -0.05 0.00 -1.18 0.00 0.00 61.69 59.76 1c54 s THR 88 Cb 0.14 -1.94 0.15 0.00 1.34 0.00 0.00 72.50 72.20 1c54 s THR 88 CO 0.70 0.00 0.58 -0.36 -0.54 0.00 0.00 174.62 175.01 1c54 s PHE 89 N -3.61 -1.36 -0.24 3.99 0.08 -1.21 -3.69 117.98 111.95 1c54 s PHE 89 Ca 0.11 1.88 -0.01 0.00 0.12 0.00 0.00 56.93 59.03 1c54 s PHE 89 Cb -0.04 0.60 0.07 0.00 -0.57 0.00 0.00 43.02 43.08 1c54 s PHE 89 CO 0.04 -0.74 0.03 -1.12 -0.10 0.00 0.00 175.22 173.33 1c54 s SER 90 N 2.83 3.48 0.99 1.36 0.01 0.13 -1.68 113.70 120.82 1c54 s SER 90 Ca 0.07 -1.16 -0.17 0.00 1.31 0.00 0.00 55.95 56.00 1c54 s SER 90 Cb -0.13 -0.83 -0.11 0.00 0.21 0.00 0.00 66.02 65.16 1c54 s SER 90 CO -0.19 -0.32 -0.60 0.18 0.41 0.00 0.00 173.24 172.72 1c54 n LEU 91 N 4.89 -4.57 -4.30 2.44 4.77 -0.90 -0.28 117.00 119.06 1c54 n LEU 91 Ca -0.08 0.19 -0.37 0.00 -0.03 0.00 0.00 56.01 55.73 1c54 n LEU 91 Cb 0.45 -0.84 -0.13 0.00 -2.33 0.00 0.00 43.42 40.57 1c54 n LEU 91 CO 0.14 -5.24 -0.30 -0.63 -1.33 0.00 0.00 177.39 170.03 1c54 s ILE 92 N -2.09 3.70 -1.05 -0.08 1.09 0.18 0.75 121.20 123.70 1c54 s ILE 92 Ca 0.43 -0.87 -0.19 0.00 -1.10 0.00 0.00 60.65 58.92 1c54 s ILE 92 Cb -0.16 -2.95 0.10 0.00 -1.06 0.00 0.00 42.46 38.39 1c54 s ILE 92 CO 0.78 0.04 1.36 -1.81 -0.10 0.00 0.00 174.94 175.22 1c54 s ASP 93 N 1.44 6.68 0.34 3.58 1.01 0.78 -4.81 116.67 125.68 1c54 s ASP 93 Ca 0.01 -2.04 0.09 0.00 0.71 0.00 0.00 52.55 51.32 1c54 s ASP 93 Cb -0.18 -2.48 0.61 0.00 1.01 0.00 0.00 42.92 41.88 1c54 s ASP 93 CO 0.01 -1.18 1.78 1.56 0.21 0.00 0.00 175.17 177.56 1c54 h GLN 94 N 8.74 0.15 -0.35 8.23 7.50 -1.94 -0.78 115.11 136.66 1c54 h GLN 94 Ca 0.23 -0.06 0.10 0.00 0.50 0.00 0.00 58.65 59.43 1c54 h GLN 94 Cb 0.98 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.49 1c54 h GLN 94 CO 1.28 0.48 0.29 0.00 -1.50 0.00 0.00 178.83 179.39 1c54 h THR 95 N 0.13 0.62 0.00 -0.54 1.03 -1.98 -3.44 112.91 108.73 1c54 h THR 95 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.41 1c54 h THR 95 Cb 0.69 0.78 0.00 0.00 -1.07 0.00 0.00 68.15 68.55 1c54 h THR 95 CO 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.56