#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 2.03 0.85 2.12 0.31 -1.13 -4.83 118.33 117.67 1c54 n VAL 2 Ca 0.00 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1c54 n VAL 2 Cb 0.00 -0.86 0.03 0.00 -0.91 0.00 0.00 33.84 32.09 1c54 n VAL 2 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1c54 n SER 3 N 1.21 1.84 0.00 4.52 7.64 0.21 -4.97 113.62 124.08 1c54 n SER 3 Ca 0.11 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1c54 n SER 3 Cb 0.33 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 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 0.14 -0.79 3.86 0.23 0.00 -1.26 -4.92 105.19 102.45 1c54 n GLY 4 Ca 0.03 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 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 0.00 2.62 -0.20 2.61 2.01 -1.26 -0.14 115.64 121.28 1c54 s THR 5 Ca 0.00 -1.38 -0.04 0.00 0.31 0.00 0.00 61.69 60.58 1c54 s THR 5 Cb 0.00 -2.99 0.08 0.00 0.01 0.00 0.00 72.50 69.60 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 -2.49 -0.20 0.13 3.82 0.11 0.22 -4.70 120.40 117.30 1c54 s VAL 6 Ca 0.47 -0.21 -0.34 0.00 -2.93 0.00 0.00 61.98 58.98 1c54 s VAL 6 Cb -0.02 -0.67 -0.17 0.00 -1.53 0.00 0.00 36.38 33.99 1c54 s VAL 6 CO 0.27 -0.29 1.11 0.00 -3.33 0.00 0.00 175.10 172.86 1c54 h LEU 8 N 3.24 0.27 -1.40 0.00 6.46 -1.51 0.76 115.31 123.14 1c54 h LEU 8 Ca -0.44 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.26 1c54 h LEU 8 Cb 1.37 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.22 1c54 h LEU 8 CO 0.69 0.19 -0.29 -1.28 -0.62 0.00 0.00 178.44 177.13 1c54 h SER 9 N 0.32 0.00 0.69 1.25 0.87 -1.89 -1.71 113.55 113.07 1c54 h SER 9 Ca 0.13 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.55 1c54 h SER 9 Cb 0.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1c54 h SER 9 CO -0.03 0.29 -0.64 0.00 -0.53 0.00 0.00 176.83 175.92 1c54 h ALA 10 N 1.71 0.91 -2.38 6.23 0.00 -1.21 -3.45 119.26 121.07 1c54 h ALA 10 Ca -0.00 -0.58 -0.50 0.00 0.00 0.00 0.00 54.91 53.82 1c54 h ALA 10 Cb 0.59 -0.10 0.06 0.00 0.00 0.00 0.00 17.79 18.34 1c54 h ALA 10 CO 0.04 0.80 0.36 -0.51 0.00 0.00 0.00 179.25 179.94 1c54 s LEU 11 N -7.46 3.18 1.02 0.00 1.43 -0.65 -5.01 118.68 111.20 1c54 s LEU 11 Ca -0.01 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.19 1c54 s LEU 11 Cb 0.12 -4.16 0.20 0.00 0.03 0.00 0.00 46.19 42.38 1c54 s LEU 11 CO 0.76 -0.99 1.08 -2.16 0.23 0.00 0.00 176.35 175.27 1c54 s PRO 12 N -5.17 0.26 0.51 1.29 0.04 -1.26 -4.92 135.00 125.75 1c54 s PRO 12 Ca 0.55 0.69 0.29 0.00 0.04 0.00 0.00 61.00 62.56 1c54 s PRO 12 Cb -0.11 -1.70 1.30 0.00 0.04 0.00 0.00 34.50 34.03 1c54 s PRO 12 CO 0.52 -2.89 1.98 -1.00 0.04 0.00 0.00 177.00 175.65 1c54 h PRO 13 N -2.01 0.00 -0.00 0.56 0.13 -1.96 -2.02 132.00 126.69 1c54 h PRO 13 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1c54 h PRO 13 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1c54 h PRO 13 CO 0.55 0.13 -0.08 0.39 -0.23 0.00 0.00 178.00 178.75 1c54 n GLU 14 N -3.39 0.70 -0.03 0.86 1.02 -1.26 -3.58 120.64 114.96 1c54 n GLU 14 Ca -0.01 -0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 56.80 1c54 n GLU 14 Cb 0.31 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.14 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 3.64 0.03 -0.28 0.62 0.00 -1.60 -2.97 119.26 118.70 1c54 h ALA 15 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.68 1c54 h ALA 15 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1c54 h ALA 15 CO 0.00 -0.15 0.30 0.00 0.00 0.00 0.00 179.25 179.40 1c54 h THR 16 N -0.50 0.45 0.21 0.00 1.03 -1.70 -2.58 112.91 109.82 1c54 h THR 16 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.41 1c54 h THR 16 Cb 0.63 0.77 -0.04 0.00 -1.07 0.00 0.00 68.15 68.43 1c54 h THR 16 CO 0.01 0.00 -0.42 -0.78 -0.01 0.00 0.00 175.52 174.31 1c54 h ASP 17 N 0.00 -1.23 -0.14 0.00 1.82 -1.67 0.23 116.42 115.44 1c54 h ASP 17 Ca 0.13 0.13 0.03 0.00 -0.39 0.00 0.00 57.03 56.93 1c54 h ASP 17 Cb 0.72 0.45 -0.03 0.00 0.68 0.00 0.00 39.33 41.14 1c54 h ASP 17 CO -0.00 -0.52 -0.07 0.74 -1.61 0.00 0.00 179.24 177.78 1c54 h THR 18 N -0.72 0.77 -0.76 2.25 2.02 -1.59 -0.02 112.91 114.86 1c54 h THR 18 Ca 0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1c54 h THR 18 Cb 0.71 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 1c54 h THR 18 CO -0.19 0.00 0.50 -0.07 0.37 0.00 0.00 175.52 176.13 1c54 h LEU 19 N -0.07 0.49 -0.54 2.58 3.38 -1.50 0.28 115.31 119.94 1c54 h LEU 19 Ca 0.08 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1c54 h LEU 19 Cb 0.18 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1c54 h LEU 19 CO -0.18 0.27 -0.16 -1.13 0.09 0.00 0.00 178.44 177.33 1c54 h ASN 20 N 0.53 1.02 0.26 -0.43 -0.73 0.59 0.16 115.58 116.98 1c54 h ASN 20 Ca 0.36 -0.36 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 1c54 h ASN 20 Cb 0.68 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1c54 h ASN 20 CO -0.13 1.16 -0.40 -0.07 -0.37 0.00 0.00 177.43 177.61 1c54 h LEU 21 N 0.88 0.20 -0.21 0.34 3.38 0.95 0.76 115.31 121.61 1c54 h LEU 21 Ca 0.13 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1c54 h LEU 21 Cb 0.73 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1c54 h LEU 21 CO 0.06 0.59 -0.39 0.40 0.09 0.00 0.00 178.44 179.18 1c54 h ILE 22 N 0.16 1.32 -0.34 1.22 2.04 -0.02 0.51 117.51 122.41 1c54 h ILE 22 Ca 0.02 -1.62 -0.14 0.00 1.00 0.00 0.00 64.86 64.12 1c54 h ILE 22 Cb 0.79 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1c54 h ILE 22 CO 0.06 0.50 -0.32 0.00 0.00 0.00 0.00 178.15 178.39 1c54 h ALA 23 N 0.61 0.49 -0.28 1.87 0.00 -0.41 -3.02 119.26 118.52 1c54 h ALA 23 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1c54 h ALA 23 Cb 0.99 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1c54 h ALA 23 CO 0.09 0.55 0.00 0.45 0.00 0.00 0.00 179.25 180.33 1c54 n SER 24 N -4.17 2.22 -4.33 0.00 2.88 0.26 -4.93 113.62 105.55 1c54 n SER 24 Ca -0.03 -1.84 -0.35 0.00 -1.33 0.00 0.00 58.87 55.31 1c54 n SER 24 Cb 0.50 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.69 -0.96 0.00 -3.46 -0.08 -0.05 -4.53 116.55 108.16 1c54 n ASP 25 Ca 0.16 -1.18 0.00 0.00 -1.51 0.00 0.00 54.79 52.26 1c54 n ASP 25 Cb 0.40 -2.01 0.00 0.00 2.34 0.00 0.00 41.12 41.85 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 -1.77 -1.81 3.76 0.27 0.00 0.16 -4.87 105.19 100.92 1c54 n GLY 26 Ca -0.10 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 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 0.03 1.61 0.04 -1.26 -4.83 135.00 135.25 1c54 s PRO 27 Ca 0.00 1.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 1c54 s PRO 27 Cb 0.00 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.28 1c54 s PRO 27 CO 0.00 0.23 0.50 -0.06 0.04 0.00 0.00 177.00 177.71 1c54 s PHE 28 N -1.11 3.75 -0.05 0.56 0.40 -1.26 -4.94 117.98 115.34 1c54 s PHE 28 Ca 0.44 1.14 -0.06 0.00 -0.60 0.00 0.00 56.93 57.86 1c54 s PHE 28 Cb -0.31 -2.43 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 1c54 s PHE 28 CO 0.40 0.57 0.30 -1.00 0.70 0.00 0.00 175.22 176.19 1c54 h PRO 29 N 4.80 -0.19 -7.24 0.24 0.13 -1.97 -3.46 132.00 124.31 1c54 h PRO 29 Ca -0.50 0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 1c54 h PRO 29 Cb 1.21 0.04 0.18 0.00 0.13 0.00 0.00 31.00 32.56 1c54 h PRO 29 CO 0.64 -0.13 0.30 0.71 -0.23 0.00 0.00 178.00 179.29 1c54 s TYR 30 N -2.16 1.85 -2.03 1.56 1.51 -1.26 -4.92 117.35 111.90 1c54 s TYR 30 Ca -0.03 1.70 0.17 0.00 -1.01 0.00 0.00 57.07 57.90 1c54 s TYR 30 Cb 0.00 -3.37 0.95 0.00 -0.11 0.00 0.00 41.96 39.43 1c54 s TYR 30 CO 0.09 -2.67 1.62 0.45 -1.11 0.00 0.00 175.55 173.93 1c54 n SER 31 N -3.61 0.20 -4.24 2.29 2.88 -1.26 -4.55 113.62 105.33 1c54 n SER 31 Ca 0.12 -1.51 -0.42 0.00 -1.33 0.00 0.00 58.87 55.73 1c54 n SER 31 Cb 0.51 -0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 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 -1.97 3.41 0.00 -1.46 -0.21 -1.26 -4.94 119.66 113.23 1c54 s GLN 32 Ca 0.26 -2.77 0.00 0.00 0.02 0.00 0.00 55.36 52.86 1c54 s GLN 32 Cb 0.12 -4.20 0.00 0.00 1.00 0.00 0.00 33.01 29.93 1c54 s GLN 32 CO 0.20 -1.25 0.00 -0.40 -2.12 0.00 0.00 175.29 171.72 1c54 n ASP 33 N 3.32 0.00 0.00 5.90 5.75 -1.24 -2.55 116.55 127.73 1c54 n ASP 33 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1c54 n ASP 33 Cb 0.42 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1c54 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c54 n GLY 34 N -0.10 0.73 3.88 6.12 0.00 -1.21 -5.04 105.19 109.57 1c54 n GLY 34 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.49 5.26 0.54 1.61 -7.23 -1.26 -4.99 120.40 111.84 1c54 s VAL 35 Ca 0.00 0.21 -0.15 0.00 -1.81 0.00 0.00 61.98 60.23 1c54 s VAL 35 Cb 0.00 -3.58 -0.07 0.00 0.56 0.00 0.00 36.38 33.29 1c54 s VAL 35 CO 0.00 0.35 1.00 -0.69 -0.31 0.00 0.00 175.10 175.45 1c54 s VAL 36 N -1.32 4.52 -0.40 1.32 1.01 -1.26 -0.51 120.40 123.76 1c54 s VAL 36 Ca 0.29 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.41 1c54 s VAL 36 Cb -0.13 -3.73 0.15 0.00 0.00 0.00 0.00 36.38 32.67 1c54 s VAL 36 CO 0.17 -0.78 0.27 0.12 0.00 0.00 0.00 175.10 174.88 1c54 s PHE 37 N -2.74 1.13 -0.17 5.22 5.36 -0.96 -4.65 117.98 121.17 1c54 s PHE 37 Ca 0.58 -2.03 -0.04 0.00 -0.96 0.00 0.00 56.93 54.48 1c54 s PHE 37 Cb -0.10 -1.12 -0.14 0.00 -0.34 0.00 0.00 43.02 41.31 1c54 s PHE 37 CO 0.37 -0.81 2.35 0.94 -1.46 0.00 0.00 175.22 176.60 1c54 n GLN 38 N 3.50 1.38 -3.52 10.12 0.00 -1.26 -4.36 117.38 123.24 1c54 n GLN 38 Ca 0.18 -0.76 -0.16 0.00 -0.00 0.00 0.00 57.00 56.25 1c54 n GLN 38 Cb 0.40 -1.92 -0.03 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 2.95 -0.38 0.32 1.69 5.15 -1.26 -4.71 115.26 119.02 1c54 n ASN 39 Ca 0.30 -0.57 0.18 0.00 -0.60 0.00 0.00 54.58 53.89 1c54 n ASN 39 Cb 0.48 -0.70 0.97 0.00 -0.53 0.00 0.00 39.78 40.00 1c54 n ASN 39 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1c54 h ARG 40 N 0.05 0.00 -0.00 1.20 -0.00 -2.00 0.23 114.38 113.86 1c54 h ARG 40 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.68 1c54 h ARG 40 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.59 1c54 h ARG 40 CO 0.28 0.00 -0.09 -1.91 -0.00 0.00 0.00 179.97 178.25 1c54 n GLU 41 N -3.07 0.66 -4.20 0.08 2.13 -1.26 -4.94 120.64 110.03 1c54 n GLU 41 Ca -0.02 -0.20 -0.31 0.00 0.66 0.00 0.00 57.16 57.29 1c54 n GLU 41 Cb 0.26 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.42 1c54 n GLU 41 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1c54 n SER 42 N -1.00 -0.55 0.00 4.31 2.88 0.80 -4.83 113.62 115.24 1c54 n SER 42 Ca 0.15 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.55 1c54 n SER 42 Cb 0.27 -2.30 0.00 0.00 -0.75 0.00 0.00 64.21 61.42 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 -4.43 0.00 -4.20 2.46 0.31 -1.26 -4.78 118.33 106.43 1c54 n VAL 43 Ca -0.20 -0.40 -0.26 0.00 -0.01 0.00 0.00 64.34 63.48 1c54 n VAL 43 Cb 0.63 1.06 -0.07 0.00 -0.91 0.00 0.00 33.84 34.55 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 -1.11 3.39 -1.36 7.52 1.02 -1.26 -2.55 118.68 124.32 1c54 s LEU 44 Ca 0.00 -0.39 -0.15 0.00 0.02 0.00 0.00 54.13 53.61 1c54 s LEU 44 Cb 0.00 -2.01 -0.01 0.00 0.02 0.00 0.00 46.19 44.20 1c54 s LEU 44 CO 0.00 0.06 2.27 -0.81 0.02 0.00 0.00 176.35 177.89 1c54 n PRO 45 N -0.34 2.73 -0.15 1.29 -0.04 -1.26 -4.85 135.00 132.37 1c54 n PRO 45 Ca -0.09 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 60.96 1c54 n PRO 45 Cb 0.56 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 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 5.04 0.00 0.00 0.52 -1.04 -1.26 -5.03 114.28 112.51 1c54 n THR 46 Ca 0.54 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1c54 n THR 46 Cb 0.37 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 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 -0.34 0.00 -4.09 -2.82 7.27 -1.26 -5.15 117.38 110.98 1c54 n GLN 47 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1c54 n GLN 47 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 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 4.94 -0.17 1.69 1.04 -1.26 -5.11 113.70 114.82 1c54 s SER 48 Ca 0.00 -0.58 -0.16 0.00 0.48 0.00 0.00 55.95 55.69 1c54 s SER 48 Cb 0.00 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 65.14 1c54 s SER 48 CO 0.00 -0.18 0.41 -0.47 0.98 0.00 0.00 173.24 173.97 1c54 s TYR 49 N -2.32 3.42 0.00 5.02 5.04 -1.26 -3.94 117.35 123.31 1c54 s TYR 49 Ca 0.36 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 1c54 s TYR 49 Cb -0.05 -2.51 0.00 0.00 0.35 0.00 0.00 41.96 39.75 1c54 s TYR 49 CO 0.23 0.07 0.00 0.41 -1.34 0.00 0.00 175.55 174.92 1c54 n GLY 50 N 3.67 0.67 0.00 8.97 0.00 -1.26 -4.91 105.19 112.32 1c54 n GLY 50 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.62 0.00 -4.28 1.61 9.36 -1.25 -4.78 117.16 115.20 1c54 n TYR 51 Ca 0.00 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.06 1c54 n TYR 51 Cb 0.00 -0.08 -0.10 0.00 -0.63 0.00 0.00 39.34 38.53 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 -2.16 1.44 0.18 2.98 1.51 -1.26 -0.31 117.35 119.73 1c54 s TYR 52 Ca 0.31 -1.30 -0.23 0.00 -1.01 0.00 0.00 57.07 54.84 1c54 s TYR 52 Cb 0.16 -0.78 0.06 0.00 -0.11 0.00 0.00 41.96 41.29 1c54 s TYR 52 CO 0.29 -0.49 0.68 -1.01 -1.11 0.00 0.00 175.55 173.92 1c54 s HIS 53 N -3.84 -0.39 -0.02 2.71 3.76 -0.83 -2.28 115.29 114.40 1c54 s HIS 53 Ca 0.38 0.10 0.08 0.00 -0.15 0.00 0.00 55.06 55.47 1c54 s HIS 53 Cb 0.07 0.61 -0.02 0.00 1.11 0.00 0.00 32.58 34.35 1c54 s HIS 53 CO 0.14 -0.94 -0.26 -1.21 -0.85 0.00 0.00 174.74 171.62 1c54 s GLU 54 N -3.72 2.16 -0.42 1.40 2.02 0.33 -1.71 118.70 118.75 1c54 s GLU 54 Ca 0.05 -0.93 0.08 0.00 0.02 0.00 0.00 54.97 54.20 1c54 s GLU 54 Cb -0.03 -2.05 0.34 0.00 0.10 0.00 0.00 34.13 32.49 1c54 s GLU 54 CO -0.05 0.54 1.00 0.66 0.02 0.00 0.00 175.26 177.42 1c54 n TYR 55 N 2.50 -1.77 -1.30 1.61 4.01 0.31 -3.30 117.16 119.22 1c54 n TYR 55 Ca -0.16 -2.69 -0.54 0.00 -0.16 0.00 0.00 57.90 54.35 1c54 n TYR 55 Cb 0.51 0.92 -0.09 0.00 -0.31 0.00 0.00 39.34 40.37 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 0.28 0.00 -2.68 -0.72 -1.04 -1.06 -3.73 114.28 105.34 1c54 n THR 56 Ca 0.12 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.70 1c54 n THR 56 Cb 0.70 -0.42 -0.03 0.00 -1.82 0.00 0.00 70.33 68.76 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 3.47 4.32 0.40 12.58 0.11 -1.26 -4.84 120.40 135.18 1c54 s VAL 57 Ca 0.92 1.13 -0.19 0.00 -2.93 0.00 0.00 61.98 60.92 1c54 s VAL 57 Cb -1.25 -4.53 -0.14 0.00 -1.53 0.00 0.00 36.38 28.93 1c54 s VAL 57 CO 0.63 -0.89 0.03 -0.38 -3.33 0.00 0.00 175.10 171.16 1c54 n ILE 58 N 6.60 0.44 -4.11 7.04 5.41 -1.26 -4.57 119.36 128.91 1c54 n ILE 58 Ca 0.10 -0.47 -0.15 0.00 1.00 0.00 0.00 62.75 63.24 1c54 n ILE 58 Cb 0.49 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.28 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 0.38 0.35 1.39 2.01 -1.26 -4.56 115.64 112.30 1c54 s THR 59 Ca 0.55 -0.33 -0.26 0.00 0.31 0.00 0.00 61.69 61.95 1c54 s THR 59 Cb -0.56 -0.35 -0.09 0.00 0.01 0.00 0.00 72.50 71.51 1c54 s THR 59 CO 0.59 0.02 1.05 -2.16 -0.69 0.00 0.00 174.62 173.44 1c54 s PRO 60 N -0.34 4.38 -1.45 4.92 0.04 -1.26 -3.19 135.00 138.10 1c54 s PRO 60 Ca -0.00 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1c54 s PRO 60 Cb -0.03 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1c54 s PRO 60 CO -0.00 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1c54 n GLY 61 N 0.68 -0.36 3.35 0.56 0.00 -1.26 -4.90 105.19 103.27 1c54 n GLY 61 Ca 0.03 0.00 -0.46 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 -2.80 3.95 0.54 4.61 0.00 -1.19 -4.88 121.76 121.98 1c54 s ALA 62 Ca 0.00 -3.22 0.43 0.00 0.00 0.00 0.00 51.96 49.17 1c54 s ALA 62 Cb 0.00 -3.63 1.64 0.00 0.00 0.00 0.00 23.12 21.13 1c54 s ALA 62 CO 0.00 -2.42 1.66 0.00 0.00 0.00 0.00 175.76 175.00 1c54 h ARG 63 N 7.97 0.01 0.00 0.00 3.08 -1.90 -3.42 114.38 120.12 1c54 h ARG 63 Ca 0.12 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 1c54 h ARG 63 Cb 1.04 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 1c54 h ARG 63 CO 0.82 0.01 -0.04 0.25 -1.07 0.00 0.00 179.97 179.95 1c54 n THR 64 N -4.10 0.00 -0.17 2.04 -2.24 -1.26 -5.01 114.28 103.54 1c54 n THR 64 Ca 0.37 -0.19 0.29 0.00 -2.27 0.00 0.00 64.05 62.25 1c54 n THR 64 Cb 1.68 0.06 0.68 0.00 -2.10 0.00 0.00 70.33 70.65 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 -2.36 -0.78 3.08 -1.97 -3.47 114.38 108.88 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 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1c54 h ARG 65 CO 0.04 0.00 -0.59 0.41 -1.07 0.00 0.00 179.97 178.76 1c54 n GLY 66 N -1.67 -3.83 0.63 0.04 0.00 -1.26 -4.50 105.19 94.60 1c54 n GLY 66 Ca 0.20 -0.94 0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 0.59 0.12 -1.43 2.61 1.35 -1.91 -3.42 112.91 110.83 1c54 h THR 67 Ca 0.00 0.00 -0.72 0.00 -0.55 0.00 0.00 66.41 65.14 1c54 h THR 67 Cb 0.29 0.14 0.05 0.00 -1.73 0.00 0.00 68.15 66.90 1c54 h THR 67 CO 0.00 0.00 0.31 0.54 -0.25 0.00 0.00 175.52 176.12 1c54 n ARG 68 N -3.88 0.72 -3.64 4.72 5.12 -1.26 -0.95 116.66 117.50 1c54 n ARG 68 Ca 0.35 0.26 -0.09 0.00 -1.93 0.00 0.00 57.85 56.44 1c54 n ARG 68 Cb 1.69 -1.85 -0.07 0.00 -1.16 0.00 0.00 32.46 31.07 1c54 n ARG 68 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1c54 s ARG 69 N 0.30 0.60 -0.02 5.56 3.00 -1.26 -4.43 118.95 122.71 1c54 s ARG 69 Ca 0.87 0.82 0.03 0.00 -1.00 0.00 0.00 55.73 56.45 1c54 s ARG 69 Cb -1.07 0.24 -0.03 0.00 0.00 0.00 0.00 34.95 34.09 1c54 s ARG 69 CO 0.51 -0.09 -0.09 0.42 0.00 0.00 0.00 175.30 176.04 1c54 s ILE 70 N 0.71 3.46 -0.06 4.11 1.01 -1.24 -2.01 121.20 127.17 1c54 s ILE 70 Ca -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1c54 s ILE 70 Cb -0.05 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.99 1c54 s ILE 70 CO -0.08 0.46 -0.09 -0.63 0.00 0.00 0.00 174.94 174.61 1c54 s ILE 71 N -0.90 0.88 0.31 2.92 -1.09 -0.98 -0.53 121.20 121.82 1c54 s ILE 71 Ca 0.15 -0.31 0.07 0.00 -2.23 0.00 0.00 60.65 58.33 1c54 s ILE 71 Cb -0.11 -0.85 -0.03 0.00 -1.58 0.00 0.00 42.46 39.90 1c54 s ILE 71 CO 0.05 0.30 0.31 0.42 -1.23 0.00 0.00 174.94 174.79 1c54 s THR 72 N 0.88 3.88 0.48 2.92 -4.23 -0.70 0.94 115.64 119.81 1c54 s THR 72 Ca -0.11 -1.30 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 1c54 s THR 72 Cb -0.15 -3.29 0.04 0.00 1.34 0.00 0.00 72.50 70.44 1c54 s THR 72 CO 0.01 -0.21 0.34 0.61 -0.54 0.00 0.00 174.62 174.83 1c54 n GLY 73 N -1.38 2.84 0.12 3.99 0.00 -0.29 -1.97 105.19 108.51 1c54 n GLY 73 Ca -0.03 -2.29 0.13 0.00 0.00 0.00 0.00 46.02 43.83 1c54 n GLY 73 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1c54 h GLU 74 N 0.00 0.00 -5.30 1.61 4.57 -0.99 -3.43 114.58 111.04 1c54 h GLU 74 Ca -0.31 0.00 -0.64 0.00 -1.18 0.00 0.00 59.36 57.23 1c54 h GLU 74 Cb 1.12 0.00 -0.23 0.00 -0.16 0.00 0.00 28.75 29.48 1c54 h GLU 74 CO 0.49 0.00 -0.69 0.00 -1.18 0.00 0.00 179.01 177.63 1c54 s ALA 75 N -3.14 2.91 0.49 2.92 0.00 -1.26 -5.10 121.76 118.59 1c54 s ALA 75 Ca 0.09 -0.84 -0.22 0.00 0.00 0.00 0.00 51.96 50.99 1c54 s ALA 75 Cb 0.11 -1.48 -0.08 0.00 0.00 0.00 0.00 23.12 21.67 1c54 s ALA 75 CO 0.58 0.21 1.04 2.41 0.00 0.00 0.00 175.76 180.00 1c54 n THR 76 N 3.55 2.96 -1.97 0.00 -1.04 -1.26 -3.29 114.28 113.23 1c54 n THR 76 Ca -0.18 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 1c54 n THR 76 Cb 0.52 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 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 -0.34 0.00 -2.85 -2.82 6.02 -1.26 -5.00 117.38 111.13 1c54 n GLN 77 Ca 0.10 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.93 1c54 n GLN 77 Cb 0.43 -2.88 -0.00 0.00 1.02 0.00 0.00 30.24 28.80 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 -0.82 1.60 -3.37 -1.09 1.02 -1.21 -4.81 120.64 111.96 1c54 n GLU 78 Ca 0.00 -3.63 -0.44 0.00 -0.02 0.00 0.00 57.16 53.07 1c54 n GLU 78 Cb 0.46 -1.64 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.97 7.13 1.06 1.62 1.47 -1.25 -1.13 116.67 122.60 1c54 s ASP 79 Ca 0.37 -3.55 -0.15 0.00 1.18 0.00 0.00 52.55 50.40 1c54 s ASP 79 Cb 0.39 -2.17 0.20 0.00 -0.34 0.00 0.00 42.92 41.00 1c54 s ASP 79 CO -0.05 -0.29 0.43 -1.22 0.68 0.00 0.00 175.17 174.71 1c54 n TYR 80 N 2.75 -2.58 -3.61 2.11 4.01 0.27 -1.71 117.16 118.39 1c54 n TYR 80 Ca 0.23 -0.13 -0.03 0.00 -0.16 0.00 0.00 57.90 57.81 1c54 n TYR 80 Cb 0.39 -1.38 -0.06 0.00 -0.31 0.00 0.00 39.34 37.99 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 -2.08 -0.73 0.00 -0.72 6.14 -0.26 -2.31 117.35 117.40 1c54 s TYR 81 Ca 0.40 1.41 0.00 0.00 0.64 0.00 0.00 57.07 59.52 1c54 s TYR 81 Cb -0.07 0.44 0.00 0.00 0.42 0.00 0.00 41.96 42.75 1c54 s TYR 81 CO 0.35 -0.36 0.00 -2.37 0.64 0.00 0.00 175.55 173.81 1c54 n THR 82 N 4.10 0.00 -0.37 4.34 5.66 -0.85 0.01 114.28 127.17 1c54 n THR 82 Ca -0.17 0.50 0.00 0.00 -3.05 0.00 0.00 64.05 61.32 1c54 n THR 82 Cb 0.57 -1.49 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 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 1.74 1.52 0.13 1.09 0.00 -1.25 -4.59 105.19 103.83 1c54 n GLY 83 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 1.63 -2.54 1.61 8.00 -1.25 -4.04 116.55 119.96 1c54 n ASP 84 Ca 0.00 -2.48 -0.01 0.00 0.71 0.00 0.00 54.79 53.01 1c54 n ASP 84 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 -0.84 -3.30 -2.03 1.24 -0.00 -0.13 -3.95 115.22 106.21 1c54 n HIS 85 Ca 0.08 1.44 -0.10 0.00 -0.00 0.00 0.00 57.72 59.14 1c54 n HIS 85 Cb 0.56 -3.64 -0.02 0.00 -0.00 0.00 0.00 29.99 26.89 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 0.42 -1.16 0.02 1.57 4.02 -1.26 -4.78 117.16 115.98 1c54 n TYR 86 Ca 0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.98 1c54 n TYR 86 Cb 0.07 -2.35 -0.11 0.00 -0.02 0.00 0.00 39.34 36.94 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 -1.39 2.44 -3.61 -0.72 0.00 -1.25 -5.00 120.51 110.97 1c54 n ALA 87 Ca -0.11 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.70 1c54 n ALA 87 Cb 0.50 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 -3.26 0.00 -0.25 0.00 -4.23 -1.26 -5.05 115.64 101.59 1c54 s THR 88 Ca -0.05 -1.14 -0.07 0.00 -1.18 0.00 0.00 61.69 59.24 1c54 s THR 88 Cb 0.11 -2.39 0.11 0.00 1.34 0.00 0.00 72.50 71.68 1c54 s THR 88 CO 0.85 0.00 0.51 -0.36 -0.54 0.00 0.00 174.62 175.09 1c54 s PHE 89 N -3.33 -1.06 -0.12 3.99 0.08 -1.20 -3.62 117.98 112.72 1c54 s PHE 89 Ca 0.17 1.79 -0.02 0.00 0.12 0.00 0.00 56.93 58.99 1c54 s PHE 89 Cb -0.04 0.49 0.04 0.00 -0.57 0.00 0.00 43.02 42.94 1c54 s PHE 89 CO 0.10 -0.59 0.01 -1.12 -0.10 0.00 0.00 175.22 173.52 1c54 s SER 90 N 2.73 2.06 1.02 1.36 0.01 0.10 0.68 113.70 121.67 1c54 s SER 90 Ca -0.01 -0.35 -0.18 0.00 1.31 0.00 0.00 55.95 56.72 1c54 s SER 90 Cb -0.12 -0.50 -0.02 0.00 0.21 0.00 0.00 66.02 65.59 1c54 s SER 90 CO -0.16 -0.23 -0.30 0.18 0.41 0.00 0.00 173.24 173.14 1c54 n LEU 91 N 5.11 -2.49 -4.19 2.44 4.77 0.81 -1.10 117.00 122.34 1c54 n LEU 91 Ca -0.08 0.09 -0.36 0.00 -0.03 0.00 0.00 56.01 55.63 1c54 n LEU 91 Cb 0.49 -0.92 -0.13 0.00 -2.33 0.00 0.00 43.42 40.54 1c54 n LEU 91 CO 0.12 -3.71 -0.27 -0.63 -1.33 0.00 0.00 177.39 171.56 1c54 s ILE 92 N -2.20 3.32 -1.01 -0.08 1.09 -0.70 0.73 121.20 122.35 1c54 s ILE 92 Ca 0.50 -1.47 -0.23 0.00 -1.10 0.00 0.00 60.65 58.34 1c54 s ILE 92 Cb -0.12 -2.99 0.02 0.00 -1.06 0.00 0.00 42.46 38.31 1c54 s ILE 92 CO 0.70 -0.28 1.61 -0.62 -0.10 0.00 0.00 174.94 176.24 1c54 s ASP 93 N 1.46 6.14 0.00 3.58 -1.08 0.15 -4.78 116.67 122.15 1c54 s ASP 93 Ca -0.01 -1.33 0.13 0.00 -0.52 0.00 0.00 52.55 50.82 1c54 s ASP 93 Cb -0.21 -2.57 0.79 0.00 -1.46 0.00 0.00 42.92 39.47 1c54 s ASP 93 CO -0.01 -1.84 1.48 0.00 0.52 0.00 0.00 175.17 175.32 1c54 n GLN 94 N 8.83 0.96 0.00 4.34 6.02 -1.26 -1.20 117.38 135.07 1c54 n GLN 94 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1c54 n GLN 94 Cb 0.50 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1c54 n GLN 94 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1c54 n THR 95 N -0.71 0.00 0.00 5.09 5.66 -1.26 -4.96 114.28 118.09 1c54 n THR 95 Ca 0.10 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1c54 n THR 95 Cb 0.05 1.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.90 1c54 n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02