#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 0.04 1.28 2.12 0.31 -1.25 -4.81 118.33 116.02 1c54 n VAL 2 Ca 0.00 -0.01 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1c54 n VAL 2 Cb 0.00 -0.76 0.32 0.00 -0.91 0.00 0.00 33.84 32.49 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 2.80 0.00 0.00 4.52 7.64 -1.03 -4.93 113.62 122.62 1c54 n SER 3 Ca 0.20 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1c54 n SER 3 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.21 2.75 3.82 0.23 0.00 -1.26 -5.07 105.19 105.87 1c54 n GLY 4 Ca 0.08 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.09 1.92 -0.18 2.61 2.01 -1.26 -2.69 115.64 115.96 1c54 s THR 5 Ca 0.00 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 1c54 s THR 5 Cb 0.00 -2.83 0.06 0.00 0.01 0.00 0.00 72.50 69.74 1c54 s THR 5 CO 0.00 0.00 0.10 0.54 -0.69 0.00 0.00 174.62 174.57 1c54 s VAL 6 N -3.51 -0.11 -0.10 3.82 0.11 0.28 -4.72 120.40 116.18 1c54 s VAL 6 Ca 0.69 -0.19 -0.39 0.00 -2.93 0.00 0.00 61.98 59.16 1c54 s VAL 6 Cb -0.09 -0.60 -0.17 0.00 -1.53 0.00 0.00 36.38 33.99 1c54 s VAL 6 CO 0.53 -0.30 1.51 0.00 -3.33 0.00 0.00 175.10 173.50 1c54 h LEU 8 N 5.60 0.46 -1.60 0.00 6.46 -1.55 0.11 115.31 124.78 1c54 h LEU 8 Ca -0.47 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.32 1c54 h LEU 8 Cb 1.34 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 1c54 h LEU 8 CO 0.86 0.12 -0.22 -1.28 -0.62 0.00 0.00 178.44 177.30 1c54 h SER 9 N 0.42 0.00 1.22 1.25 0.87 -1.84 -1.04 113.55 114.43 1c54 h SER 9 Ca 0.57 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 61.06 1c54 h SER 9 Cb 1.40 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 1c54 h SER 9 CO -0.27 0.22 -0.30 0.00 -0.53 0.00 0.00 176.83 175.94 1c54 h ALA 10 N 1.78 0.90 -2.33 6.23 0.00 -1.10 -3.45 119.26 121.28 1c54 h ALA 10 Ca -0.00 -0.27 -0.50 0.00 0.00 0.00 0.00 54.91 54.13 1c54 h ALA 10 Cb 0.42 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 18.21 1c54 h ALA 10 CO 0.03 0.38 0.27 -0.51 0.00 0.00 0.00 179.25 179.42 1c54 s LEU 11 N -6.62 3.39 1.04 0.00 1.43 -0.39 -5.00 118.68 112.52 1c54 s LEU 11 Ca 0.02 1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 54.15 1c54 s LEU 11 Cb 0.09 -4.14 0.21 0.00 0.03 0.00 0.00 46.19 42.38 1c54 s LEU 11 CO 0.68 -0.77 1.09 -2.16 0.23 0.00 0.00 176.35 175.41 1c54 s PRO 12 N -4.99 0.09 0.19 1.29 0.04 -1.26 -4.91 135.00 125.45 1c54 s PRO 12 Ca 0.52 0.47 0.21 0.00 0.04 0.00 0.00 61.00 62.24 1c54 s PRO 12 Cb -0.11 -1.70 0.89 0.00 0.04 0.00 0.00 34.50 33.62 1c54 s PRO 12 CO 0.49 -2.95 1.65 -0.35 0.04 0.00 0.00 177.00 175.89 1c54 n PRO 13 N -4.32 0.15 0.00 0.56 -0.04 -1.26 -1.81 135.00 128.27 1c54 n PRO 13 Ca 0.05 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1c54 n PRO 13 Cb 0.57 -1.77 0.22 0.00 -0.04 0.00 0.00 33.50 32.48 1c54 n PRO 13 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1c54 n GLU 14 N -2.04 1.32 -0.02 0.54 0.00 -1.26 -4.21 120.64 114.96 1c54 n GLU 14 Ca 0.03 -0.97 -0.13 0.00 0.00 0.00 0.00 57.16 56.09 1c54 n GLU 14 Cb 0.22 -1.48 -0.10 0.00 0.00 0.00 0.00 31.44 30.08 1c54 n GLU 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1c54 h ALA 15 N 4.01 -0.02 -0.19 -1.84 0.00 -1.62 -3.03 119.26 116.57 1c54 h ALA 15 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1c54 h ALA 15 Cb 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1c54 h ALA 15 CO 0.00 -0.20 0.23 0.00 0.00 0.00 0.00 179.25 179.28 1c54 h THR 16 N -0.65 0.40 0.15 0.00 1.03 -1.73 -2.48 112.91 109.63 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 0.62 0.81 -0.04 0.00 -1.07 0.00 0.00 68.15 68.46 1c54 h THR 16 CO 0.00 0.00 -0.52 -0.78 -0.01 0.00 0.00 175.52 174.21 1c54 h ASP 17 N 0.00 -1.56 -0.02 0.00 1.82 -1.72 0.20 116.42 115.14 1c54 h ASP 17 Ca 0.09 0.16 0.03 0.00 -0.39 0.00 0.00 57.03 56.92 1c54 h ASP 17 Cb 0.55 0.57 -0.03 0.00 0.68 0.00 0.00 39.33 41.10 1c54 h ASP 17 CO -0.00 -0.56 -0.15 0.74 -1.61 0.00 0.00 179.24 177.65 1c54 h THR 18 N -0.77 0.62 -0.84 2.25 2.02 -1.56 0.43 112.91 115.06 1c54 h THR 18 Ca -0.01 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.36 1c54 h THR 18 Cb 0.76 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1c54 h THR 18 CO -0.27 0.00 0.57 -0.07 0.37 0.00 0.00 175.52 176.12 1c54 h LEU 19 N -0.24 0.35 -0.32 2.58 3.38 -1.54 0.40 115.31 119.92 1c54 h LEU 19 Ca 0.06 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1c54 h LEU 19 Cb 0.32 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1c54 h LEU 19 CO -0.16 0.16 -0.42 -1.13 0.09 0.00 0.00 178.44 176.97 1c54 h ASN 20 N 0.36 0.93 0.19 -0.43 -0.73 0.79 0.10 115.58 116.79 1c54 h ASN 20 Ca 0.43 -0.49 -0.09 0.00 1.87 0.00 0.00 56.30 58.01 1c54 h ASN 20 Cb 1.11 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 1c54 h ASN 20 CO -0.14 1.24 -0.34 -0.07 -0.37 0.00 0.00 177.43 177.75 1c54 h LEU 21 N 0.65 0.23 -0.26 0.34 3.38 0.17 0.90 115.31 120.71 1c54 h LEU 21 Ca 0.04 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1c54 h LEU 21 Cb 1.02 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1c54 h LEU 21 CO 0.10 0.56 -0.28 0.40 0.09 0.00 0.00 178.44 179.32 1c54 h ILE 22 N 0.20 1.31 -0.27 1.22 5.03 -0.06 0.73 117.51 125.66 1c54 h ILE 22 Ca 0.02 -1.45 -0.12 0.00 -0.12 0.00 0.00 64.86 63.20 1c54 h ILE 22 Cb 0.70 1.64 -0.00 0.00 -3.03 0.00 0.00 36.82 36.13 1c54 h ILE 22 CO 0.05 0.46 -0.30 0.00 -0.68 0.00 0.00 178.15 177.68 1c54 h ALA 23 N 0.69 0.40 -0.30 1.87 0.00 -0.46 -3.05 119.26 118.41 1c54 h ALA 23 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1c54 h ALA 23 Cb 0.84 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1c54 h ALA 23 CO 0.07 0.42 0.00 0.45 0.00 0.00 0.00 179.25 180.19 1c54 n SER 24 N -4.27 2.02 -4.29 0.00 2.88 0.31 -4.93 113.62 105.33 1c54 n SER 24 Ca -0.04 -1.88 -0.31 0.00 -1.33 0.00 0.00 58.87 55.31 1c54 n SER 24 Cb 0.48 -0.20 -0.09 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.57 0.75 0.00 -3.46 -0.08 0.39 -4.52 116.55 110.20 1c54 n ASP 25 Ca 0.15 -1.26 0.00 0.00 -1.51 0.00 0.00 54.79 52.17 1c54 n ASP 25 Cb 0.35 -1.70 0.00 0.00 2.34 0.00 0.00 41.12 42.11 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 -2.54 -1.89 3.76 0.27 0.00 0.23 -4.89 105.19 100.13 1c54 n GLY 26 Ca -0.32 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 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 4.60 -0.02 1.61 0.04 -1.26 -4.84 135.00 135.13 1c54 s PRO 27 Ca 0.00 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 1c54 s PRO 27 Cb 0.00 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 1c54 s PRO 27 CO 0.00 0.21 0.50 -0.06 0.04 0.00 0.00 177.00 177.69 1c54 s PHE 28 N -1.25 3.68 -0.04 0.56 0.40 -1.26 -4.94 117.98 115.13 1c54 s PHE 28 Ca 0.46 1.06 -0.06 0.00 -0.60 0.00 0.00 56.93 57.79 1c54 s PHE 28 Cb -0.29 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 1c54 s PHE 28 CO 0.37 0.44 0.36 -1.00 0.70 0.00 0.00 175.22 176.09 1c54 h PRO 29 N 5.41 -0.22 -7.10 0.24 0.13 -1.98 -3.46 132.00 125.03 1c54 h PRO 29 Ca -0.47 0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 1c54 h PRO 29 Cb 1.20 0.05 0.16 0.00 0.13 0.00 0.00 31.00 32.55 1c54 h PRO 29 CO 0.67 -0.15 0.47 0.66 -0.23 0.00 0.00 178.00 179.42 1c54 n TYR 30 N -3.92 1.78 0.98 1.56 4.02 -1.26 -4.90 117.16 115.42 1c54 n TYR 30 Ca -0.03 0.42 0.10 0.00 -0.01 0.00 0.00 57.90 58.38 1c54 n TYR 30 Cb 0.09 -2.24 0.52 0.00 -0.02 0.00 0.00 39.34 37.69 1c54 n TYR 30 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1c54 n SER 31 N -1.97 0.00 -4.36 7.72 2.88 -1.26 -4.46 113.62 112.17 1c54 n SER 31 Ca 0.16 -0.01 -0.46 0.00 -1.33 0.00 0.00 58.87 57.23 1c54 n SER 31 Cb 0.48 -0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 63.64 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 -2.57 3.67 0.00 -1.46 -0.21 -1.26 -4.90 119.66 112.93 1c54 s GLN 32 Ca 0.20 -2.38 0.00 0.00 0.02 0.00 0.00 55.36 53.20 1c54 s GLN 32 Cb 0.14 -4.57 0.00 0.00 1.00 0.00 0.00 33.01 29.58 1c54 s GLN 32 CO 0.32 -1.41 0.00 -0.40 -2.12 0.00 0.00 175.29 171.68 1c54 n ASP 33 N 4.47 0.00 0.00 5.90 5.68 -1.25 -2.49 116.55 128.87 1c54 n ASP 33 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 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 -0.21 0.90 3.67 6.12 0.00 -1.19 -5.04 105.19 109.45 1c54 n GLY 34 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 3.89 0.44 1.61 -7.23 -1.26 -5.01 120.40 110.83 1c54 s VAL 35 Ca 0.00 -1.10 -0.13 0.00 -1.81 0.00 0.00 61.98 58.95 1c54 s VAL 35 Cb 0.00 -2.87 -0.07 0.00 0.56 0.00 0.00 36.38 34.00 1c54 s VAL 35 CO 0.00 0.08 0.84 -0.69 -0.31 0.00 0.00 175.10 175.02 1c54 s VAL 36 N -1.36 4.69 -0.39 1.32 1.01 -1.26 -1.16 120.40 123.24 1c54 s VAL 36 Ca 0.25 0.84 0.01 0.00 0.00 0.00 0.00 61.98 63.09 1c54 s VAL 36 Cb -0.11 -3.72 0.13 0.00 0.00 0.00 0.00 36.38 32.67 1c54 s VAL 36 CO 0.18 -0.57 0.20 0.12 0.00 0.00 0.00 175.10 175.03 1c54 s PHE 37 N -2.45 1.70 0.00 5.22 5.36 -1.02 -4.72 117.98 122.08 1c54 s PHE 37 Ca 0.54 -2.12 -0.02 0.00 -0.96 0.00 0.00 56.93 54.37 1c54 s PHE 37 Cb -0.10 -1.69 -0.09 0.00 -0.34 0.00 0.00 43.02 40.80 1c54 s PHE 37 CO 0.31 -0.81 1.67 0.94 -1.46 0.00 0.00 175.22 175.86 1c54 n GLN 38 N 3.96 0.79 -3.49 10.12 7.27 -1.26 -4.33 117.38 130.44 1c54 n GLN 38 Ca 0.06 -0.34 -0.16 0.00 0.07 0.00 0.00 57.00 56.63 1c54 n GLN 38 Cb 0.37 -1.62 -0.03 0.00 2.41 0.00 0.00 30.24 31.37 1c54 n GLN 38 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1c54 n ASN 39 N 2.55 -0.25 0.28 1.69 5.15 -1.26 -4.68 115.26 118.73 1c54 n ASN 39 Ca 0.15 -0.58 0.18 0.00 -0.60 0.00 0.00 54.58 53.73 1c54 n ASN 39 Cb 0.37 -0.71 0.95 0.00 -0.53 0.00 0.00 39.78 39.86 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 -0.01 0.00 0.00 1.20 -0.00 -1.96 0.44 114.38 114.06 1c54 h ARG 40 Ca -0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.18 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 0.29 0.00 -0.43 0.39 0.00 0.00 0.00 179.97 180.22 1c54 n GLU 41 N -3.52 0.17 -4.29 0.04 1.02 -1.26 -4.96 120.64 107.83 1c54 n GLU 41 Ca -0.01 0.07 -0.36 0.00 -0.02 0.00 0.00 57.16 56.84 1c54 n GLU 41 Cb 0.21 -1.62 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 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 -1.88 -1.60 -0.01 1.62 2.88 0.15 -4.81 113.62 109.99 1c54 n SER 42 Ca 0.05 -1.13 0.08 0.00 -1.33 0.00 0.00 58.87 56.53 1c54 n SER 42 Cb 0.40 -2.25 -0.11 0.00 -0.75 0.00 0.00 64.21 61.50 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 -4.33 0.00 -2.91 2.46 0.31 -1.26 -4.88 118.33 107.71 1c54 n VAL 43 Ca -0.05 -0.31 -0.31 0.00 -0.01 0.00 0.00 64.34 63.67 1c54 n VAL 43 Cb 0.55 0.34 -0.04 0.00 -0.91 0.00 0.00 33.84 33.78 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 -3.77 3.87 -0.02 7.52 2.01 -1.26 -2.15 118.68 124.87 1c54 s LEU 44 Ca -0.03 1.15 -0.05 0.00 0.01 0.00 0.00 54.13 55.21 1c54 s LEU 44 Cb 0.10 -4.02 -0.20 0.00 0.01 0.00 0.00 46.19 42.09 1c54 s LEU 44 CO 0.64 -0.36 2.84 -0.81 1.01 0.00 0.00 176.35 179.67 1c54 n PRO 45 N -1.14 1.52 0.00 1.29 -0.04 -1.26 -4.57 135.00 130.80 1c54 n PRO 45 Ca 0.02 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 1c54 n PRO 45 Cb 0.54 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 2.65 0.00 0.00 0.52 -1.04 -1.26 -5.09 114.28 110.06 1c54 n THR 46 Ca 0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 1c54 n THR 46 Cb 0.68 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.19 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 -1.12 -2.82 7.27 -1.26 -4.97 117.38 114.48 1c54 n GLN 47 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 1c54 n GLN 47 Cb 0.00 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.69 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 -4.08 -4.63 1.69 3.41 -1.26 -4.64 113.62 104.11 1c54 n SER 48 Ca 0.00 0.43 -0.34 0.00 -0.26 0.00 0.00 58.87 58.69 1c54 n SER 48 Cb 0.00 -0.91 -0.10 0.00 -0.26 0.00 0.00 64.21 62.95 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 -2.01 3.23 0.00 7.33 5.04 -1.26 -4.37 117.35 125.31 1c54 s TYR 49 Ca 0.52 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1c54 s TYR 49 Cb -0.32 -2.04 0.00 0.00 0.35 0.00 0.00 41.96 39.95 1c54 s TYR 49 CO 0.72 0.18 0.00 0.41 -1.34 0.00 0.00 175.55 175.52 1c54 n GLY 50 N 3.38 2.83 0.00 8.97 0.00 -1.26 -4.82 105.19 114.28 1c54 n GLY 50 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1c54 n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1c54 n TYR 51 N -2.00 0.00 -4.58 1.61 9.36 -1.26 -4.71 117.16 115.57 1c54 n TYR 51 Ca 0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 1c54 n TYR 51 Cb 0.00 -0.49 -0.11 0.00 -0.63 0.00 0.00 39.34 38.11 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 -2.98 2.42 0.21 2.98 1.51 -1.26 -0.13 117.35 120.09 1c54 s TYR 52 Ca 0.06 -0.70 -0.22 0.00 -1.01 0.00 0.00 57.07 55.20 1c54 s TYR 52 Cb 0.08 -1.66 0.05 0.00 -0.11 0.00 0.00 41.96 40.32 1c54 s TYR 52 CO 0.21 0.39 0.64 -1.01 -1.11 0.00 0.00 175.55 174.68 1c54 s HIS 53 N -2.79 -0.38 -0.03 2.71 3.76 -1.05 -2.44 115.29 115.07 1c54 s HIS 53 Ca 0.35 0.07 0.07 0.00 -0.15 0.00 0.00 55.06 55.40 1c54 s HIS 53 Cb 0.09 0.61 -0.02 0.00 1.11 0.00 0.00 32.58 34.37 1c54 s HIS 53 CO 0.17 -1.01 -0.24 -1.21 -0.85 0.00 0.00 174.74 171.61 1c54 s GLU 54 N -3.82 2.20 -0.43 1.40 8.01 -0.31 -2.10 118.70 123.65 1c54 s GLU 54 Ca 0.05 -0.89 0.08 0.00 0.01 0.00 0.00 54.97 54.22 1c54 s GLU 54 Cb -0.03 -2.11 0.31 0.00 -4.31 0.00 0.00 34.13 28.00 1c54 s GLU 54 CO -0.05 0.56 0.94 0.66 0.01 0.00 0.00 175.26 177.39 1c54 n TYR 55 N 2.45 -1.92 -1.50 1.61 4.01 0.68 -3.18 117.16 119.31 1c54 n TYR 55 Ca -0.16 -2.65 -0.58 0.00 -0.16 0.00 0.00 57.90 54.34 1c54 n TYR 55 Cb 0.51 0.92 -0.08 0.00 -0.31 0.00 0.00 39.34 40.38 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 0.57 0.00 -2.88 -0.72 -1.04 -1.04 -3.51 114.28 105.67 1c54 n THR 56 Ca 0.13 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.71 1c54 n THR 56 Cb 0.67 -0.26 -0.05 0.00 -1.82 0.00 0.00 70.33 68.88 1c54 n THR 56 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1c54 s VAL 57 N 1.53 4.51 0.36 12.58 0.11 -1.24 -4.82 120.40 133.43 1c54 s VAL 57 Ca 0.90 0.49 -0.20 0.00 -2.93 0.00 0.00 61.98 60.24 1c54 s VAL 57 Cb -1.28 -4.43 -0.14 0.00 -1.53 0.00 0.00 36.38 29.00 1c54 s VAL 57 CO 0.65 -0.88 0.10 -0.38 -3.33 0.00 0.00 175.10 171.26 1c54 n ILE 58 N 6.26 0.66 -4.06 7.04 5.41 -1.26 -4.70 119.36 128.70 1c54 n ILE 58 Ca 0.03 -0.46 -0.15 0.00 1.00 0.00 0.00 62.75 63.18 1c54 n ILE 58 Cb 0.48 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.27 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 -1.49 0.28 0.49 1.39 2.01 -1.26 -4.63 115.64 112.43 1c54 s THR 59 Ca 0.54 -0.17 -0.20 0.00 0.31 0.00 0.00 61.69 62.17 1c54 s THR 59 Cb -0.60 -0.25 -0.08 0.00 0.01 0.00 0.00 72.50 71.59 1c54 s THR 59 CO 0.57 0.07 1.05 -2.16 -0.69 0.00 0.00 174.62 173.46 1c54 s PRO 60 N -0.12 3.74 -0.95 4.92 0.04 -1.26 -3.41 135.00 137.96 1c54 s PRO 60 Ca 0.01 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 62.43 1c54 s PRO 60 Cb -0.02 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1c54 s PRO 60 CO -0.00 -0.49 0.09 0.41 0.04 0.00 0.00 177.00 177.04 1c54 n GLY 61 N -0.20 -0.50 3.39 0.56 0.00 -1.26 -4.87 105.19 102.31 1c54 n GLY 61 Ca 0.10 0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.59 3.82 0.56 4.61 0.00 -1.22 -4.87 121.76 122.07 1c54 s ALA 62 Ca 0.07 -3.13 0.47 0.00 0.00 0.00 0.00 51.96 49.37 1c54 s ALA 62 Cb -0.04 -3.78 1.67 0.00 0.00 0.00 0.00 23.12 20.97 1c54 s ALA 62 CO 0.09 -2.60 1.61 0.00 0.00 0.00 0.00 175.76 174.85 1c54 h ARG 63 N 8.12 0.00 0.00 0.00 3.08 -1.91 -3.42 114.38 120.25 1c54 h ARG 63 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1c54 h ARG 63 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1c54 h ARG 63 CO 0.94 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 180.09 1c54 n THR 64 N -3.94 0.00 0.20 2.04 -2.24 -1.26 -5.00 114.28 104.07 1c54 n THR 64 Ca 0.40 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.30 1c54 n THR 64 Cb 1.84 0.00 0.69 0.00 -2.10 0.00 0.00 70.33 70.76 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 -1.97 -0.78 3.08 -1.99 -3.48 114.38 109.24 1c54 h ARG 65 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1c54 h ARG 65 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1c54 h ARG 65 CO 0.00 0.00 -0.59 0.41 -1.07 0.00 0.00 179.97 178.72 1c54 n GLY 66 N -1.26 -3.32 0.00 0.04 0.00 -1.26 -4.51 105.19 94.87 1c54 n GLY 66 Ca -0.02 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.53 1.13 -2.14 2.61 -2.24 -1.26 -4.69 114.28 105.16 1c54 n THR 67 Ca -0.02 0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.62 1c54 n THR 67 Cb 0.30 -1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 67.40 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 -2.89 3.89 -0.00 -0.78 1.81 -1.26 0.06 118.95 119.78 1c54 s ARG 68 Ca 0.06 1.71 -0.00 0.00 -1.72 0.00 0.00 55.73 55.78 1c54 s ARG 68 Cb 0.07 -4.00 0.01 0.00 -0.45 0.00 0.00 34.95 30.58 1c54 s ARG 68 CO 0.18 -1.17 0.01 0.50 -0.68 0.00 0.00 175.30 174.14 1c54 s ARG 69 N 4.46 -0.01 -0.06 3.54 6.06 -1.26 -3.70 118.95 127.98 1c54 s ARG 69 Ca 0.69 0.04 0.00 0.00 -2.50 0.00 0.00 55.73 53.97 1c54 s ARG 69 Cb -0.25 -0.05 -0.03 0.00 0.06 0.00 0.00 34.95 34.68 1c54 s ARG 69 CO 0.28 -0.03 -0.04 0.42 -2.50 0.00 0.00 175.30 173.42 1c54 s ILE 70 N 0.22 3.95 -0.25 4.11 1.01 -1.23 -1.96 121.20 127.05 1c54 s ILE 70 Ca -0.02 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 1c54 s ILE 70 Cb -0.03 -2.66 0.07 0.00 0.01 0.00 0.00 42.46 39.86 1c54 s ILE 70 CO -0.01 0.55 0.01 -0.63 0.00 0.00 0.00 174.94 174.87 1c54 s ILE 71 N -0.89 1.13 0.70 2.92 -1.09 0.51 -0.23 121.20 124.25 1c54 s ILE 71 Ca 0.14 -1.14 -0.09 0.00 -2.23 0.00 0.00 60.65 57.33 1c54 s ILE 71 Cb -0.11 -1.60 0.04 0.00 -1.58 0.00 0.00 42.46 39.21 1c54 s ILE 71 CO 0.04 -0.30 1.05 0.42 -1.23 0.00 0.00 174.94 174.91 1c54 s THR 72 N 1.55 2.83 0.44 2.92 -4.23 -0.89 0.11 115.64 118.37 1c54 s THR 72 Ca 0.00 0.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.60 1c54 s THR 72 Cb -0.18 -3.22 -0.05 0.00 1.34 0.00 0.00 72.50 70.38 1c54 s THR 72 CO -0.11 -0.26 0.01 -0.83 -0.54 0.00 0.00 174.62 172.89 1c54 s GLY 73 N -4.44 2.69 0.29 3.99 0.00 -0.66 -2.52 107.32 106.65 1c54 s GLY 73 Ca 0.59 -1.58 0.23 0.00 0.00 0.00 0.00 44.72 43.96 1c54 s GLY 73 CO 0.47 -2.13 1.71 -2.21 0.00 0.00 0.00 173.10 170.94 1c54 n GLU 74 N -1.07 0.18 -4.27 2.90 4.07 0.81 -4.38 120.64 118.88 1c54 n GLU 74 Ca -0.10 0.49 -0.34 0.00 -0.06 0.00 0.00 57.16 57.15 1c54 n GLU 74 Cb 0.67 -1.91 -0.12 0.00 -0.06 0.00 0.00 31.44 30.02 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 -3.40 3.05 0.42 4.31 0.00 -1.26 -5.09 121.76 119.80 1c54 s ALA 75 Ca 0.02 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 50.86 1c54 s ALA 75 Cb 0.08 -1.66 -0.10 0.00 0.00 0.00 0.00 23.12 21.45 1c54 s ALA 75 CO 0.34 0.11 1.41 2.41 0.00 0.00 0.00 175.76 180.03 1c54 n THR 76 N 3.73 2.50 -1.97 0.00 -1.04 -1.26 -3.09 114.28 113.15 1c54 n THR 76 Ca -0.17 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1c54 n THR 76 Cb 0.52 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 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 0.06 0.00 -2.98 -2.82 6.02 -1.26 -5.00 117.38 111.39 1c54 n GLN 77 Ca 0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.84 1c54 n GLN 77 Cb 0.40 -3.09 -0.02 0.00 1.02 0.00 0.00 30.24 28.56 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 -0.89 1.76 -3.61 -1.09 1.02 -1.18 -4.82 120.64 111.84 1c54 n GLU 78 Ca 0.00 -3.82 -0.37 0.00 -0.02 0.00 0.00 57.16 52.95 1c54 n GLU 78 Cb 0.47 -1.80 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 1c54 n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1c54 s ASP 79 N -2.90 6.08 -0.07 1.62 1.01 -1.26 -1.66 116.67 119.50 1c54 s ASP 79 Ca 0.41 0.06 -0.13 0.00 0.71 0.00 0.00 52.55 53.60 1c54 s ASP 79 Cb 0.36 -2.12 -0.05 0.00 1.01 0.00 0.00 42.92 42.12 1c54 s ASP 79 CO -0.08 -0.01 0.32 -0.31 0.21 0.00 0.00 175.17 175.30 1c54 s TYR 80 N 1.47 3.64 -0.17 4.23 2.02 0.29 -1.24 117.35 127.59 1c54 s TYR 80 Ca 0.08 0.79 -0.00 0.00 -0.37 0.00 0.00 57.07 57.57 1c54 s TYR 80 Cb -0.15 -2.22 0.00 0.00 -0.40 0.00 0.00 41.96 39.19 1c54 s TYR 80 CO 0.08 0.57 -0.15 -0.47 -1.57 0.00 0.00 175.55 174.01 1c54 s TYR 81 N -0.70 2.80 -0.05 2.71 6.14 0.22 -0.37 117.35 128.10 1c54 s TYR 81 Ca 0.20 -1.15 -0.02 0.00 0.64 0.00 0.00 57.07 56.73 1c54 s TYR 81 Cb -0.15 -1.92 -0.01 0.00 0.42 0.00 0.00 41.96 40.31 1c54 s TYR 81 CO 0.09 -0.55 -0.05 0.00 0.64 0.00 0.00 175.55 175.68 1c54 h THR 82 N 5.73 0.00 0.00 4.34 1.03 -1.48 0.32 112.91 122.85 1c54 h THR 82 Ca -0.36 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 65.66 1c54 h THR 82 Cb 1.18 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 1c54 h THR 82 CO 0.59 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.71 1c54 n GLY 83 N 1.77 0.31 0.00 2.99 0.00 -1.23 -4.55 105.19 104.49 1c54 n GLY 83 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.15 0.97 -2.32 1.61 8.00 -1.16 -4.41 116.55 119.09 1c54 n ASP 84 Ca 0.00 -1.45 -0.04 0.00 0.71 0.00 0.00 54.79 54.01 1c54 n ASP 84 Cb 0.07 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.18 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 -0.22 -2.17 -1.88 1.24 -0.00 0.11 -3.83 115.22 108.46 1c54 n HIS 85 Ca 0.00 0.88 -0.16 0.00 0.46 0.00 0.00 57.72 58.90 1c54 n HIS 85 Cb 0.34 -3.09 -0.04 0.00 -0.12 0.00 0.00 29.99 27.07 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 -0.31 -0.65 0.99 1.57 4.01 -1.26 -4.80 117.16 116.71 1c54 n TYR 86 Ca 0.07 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.91 1c54 n TYR 86 Cb 0.26 -3.13 -0.11 0.00 -0.31 0.00 0.00 39.34 36.05 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 -0.42 4.72 -3.82 -0.72 0.00 -1.25 -5.00 120.51 114.03 1c54 n ALA 87 Ca -0.18 -0.59 -0.06 0.00 0.00 0.00 0.00 53.44 52.61 1c54 n ALA 87 Cb 0.59 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 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 -3.00 0.00 -0.30 0.00 -4.23 -1.26 -5.01 115.64 101.83 1c54 s THR 88 Ca 0.08 -0.86 -0.05 0.00 -1.18 0.00 0.00 61.69 59.69 1c54 s THR 88 Cb 0.16 -2.20 0.16 0.00 1.34 0.00 0.00 72.50 71.97 1c54 s THR 88 CO 0.87 0.00 0.62 -0.36 -0.54 0.00 0.00 174.62 175.20 1c54 s PHE 89 N -3.33 -1.49 -0.26 3.99 0.08 -1.21 -3.75 117.98 112.00 1c54 s PHE 89 Ca 0.13 1.97 -0.01 0.00 0.12 0.00 0.00 56.93 59.14 1c54 s PHE 89 Cb -0.04 0.66 0.08 0.00 -0.57 0.00 0.00 43.02 43.15 1c54 s PHE 89 CO 0.06 -0.79 0.05 -1.12 -0.10 0.00 0.00 175.22 173.32 1c54 s SER 90 N 2.87 3.62 1.01 1.36 0.01 0.11 -2.46 113.70 120.22 1c54 s SER 90 Ca 0.10 -1.29 -0.21 0.00 1.31 0.00 0.00 55.95 55.86 1c54 s SER 90 Cb -0.14 -0.81 -0.13 0.00 0.21 0.00 0.00 66.02 65.15 1c54 s SER 90 CO -0.20 -0.35 -0.93 0.18 0.41 0.00 0.00 173.24 172.34 1c54 n LEU 91 N 4.89 -4.07 -4.49 2.44 4.77 -1.10 -0.61 117.00 118.84 1c54 n LEU 91 Ca -0.06 0.10 -0.33 0.00 -0.03 0.00 0.00 56.01 55.69 1c54 n LEU 91 Cb 0.44 -0.71 -0.12 0.00 -2.33 0.00 0.00 43.42 40.69 1c54 n LEU 91 CO 0.13 -4.23 -0.40 -0.63 -1.33 0.00 0.00 177.39 170.93 1c54 s ILE 92 N -2.05 3.52 -0.55 -0.08 1.09 -0.38 0.10 121.20 122.85 1c54 s ILE 92 Ca 0.41 -0.52 -0.03 0.00 -1.10 0.00 0.00 60.65 59.41 1c54 s ILE 92 Cb -0.07 -2.47 0.14 0.00 -1.06 0.00 0.00 42.46 39.01 1c54 s ILE 92 CO 0.74 0.55 0.37 -0.62 -0.10 0.00 0.00 174.94 175.87 1c54 s ASP 93 N -0.16 5.28 0.32 3.58 2.15 0.18 -4.81 116.67 123.20 1c54 s ASP 93 Ca 0.01 -2.55 0.03 0.00 0.43 0.00 0.00 52.55 50.48 1c54 s ASP 93 Cb -0.13 -1.86 0.63 0.00 -0.30 0.00 0.00 42.92 41.26 1c54 s ASP 93 CO 0.03 -0.44 1.90 1.56 -0.17 0.00 0.00 175.17 178.05 1c54 h GLN 94 N 7.42 0.88 -0.53 4.34 7.50 -1.96 -1.07 115.11 131.70 1c54 h GLN 94 Ca -0.06 -0.05 0.08 0.00 0.50 0.00 0.00 58.65 59.11 1c54 h GLN 94 Cb 0.99 -0.20 -0.06 0.00 0.05 0.00 0.00 27.48 28.26 1c54 h GLN 94 CO 0.72 0.58 0.18 0.00 -1.50 0.00 0.00 178.83 178.81 1c54 h THR 95 N 0.91 0.80 -0.01 -0.54 1.03 -1.98 -3.43 112.91 109.69 1c54 h THR 95 Ca 0.40 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.68 1c54 h THR 95 Cb 0.35 0.42 0.00 0.00 -1.07 0.00 0.00 68.15 67.85 1c54 h THR 95 CO -0.17 0.06 0.00 0.00 -0.01 0.00 0.00 175.52 175.41