#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e0h s GLU 2 N 0.00 2.34 0.00 2.12 0.41 -1.26 -5.02 118.70 117.30 1e0h s GLU 2 Ca 0.00 -0.82 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 1e0h s GLU 2 Cb 0.00 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.92 1e0h s GLU 2 CO 0.00 -0.90 0.00 1.28 -0.49 0.00 0.00 175.26 175.15 1e0h n LEU 3 N -2.48 0.00 0.00 1.80 4.77 -1.26 -5.07 117.00 114.76 1e0h n LEU 3 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1e0h n LEU 3 Cb 0.60 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1e0h n LEU 3 CO 0.45 -0.13 0.00 0.29 -1.33 0.00 0.00 177.39 176.67 1e0h n LYS 4 N -1.40 0.00 0.00 3.23 4.76 -1.26 -5.01 118.16 118.48 1e0h n LYS 4 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1e0h n LYS 4 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1e0h n LYS 4 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1e0h n HIS 5 N -0.23 0.00 -4.35 2.13 1.44 -1.26 -5.02 115.22 107.93 1e0h n HIS 5 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 1e0h n HIS 5 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 1e0h n HIS 5 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1e0h s SER 6 N -1.18 2.29 0.62 4.39 1.04 -1.26 -4.99 113.70 114.61 1e0h s SER 6 Ca 0.00 -1.12 0.30 0.00 0.48 0.00 0.00 55.95 55.61 1e0h s SER 6 Cb 0.00 -0.08 1.63 0.00 0.10 0.00 0.00 66.02 67.67 1e0h s SER 6 CO 0.00 -0.34 1.98 -0.29 0.98 0.00 0.00 173.24 175.58 1e0h h ILE 7 N 2.50 0.24 0.00 -1.02 2.10 -1.85 -3.12 117.51 116.36 1e0h h ILE 7 Ca -0.38 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.56 1e0h h ILE 7 Cb 1.22 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.66 1e0h h ILE 7 CO 0.64 0.00 -1.68 -1.54 -1.08 0.00 0.00 178.15 174.49 1e0h n SER 8 N -3.41 0.84 0.00 2.19 3.41 -1.19 -2.36 113.62 113.10 1e0h n SER 8 Ca 0.02 -0.14 0.05 0.00 -0.26 0.00 0.00 58.87 58.55 1e0h n SER 8 Cb 0.44 1.71 0.30 0.00 -0.26 0.00 0.00 64.21 66.41 1e0h n SER 8 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1e0h n ASP 9 N -2.03 0.00 -4.09 4.04 2.03 -1.18 -3.87 116.55 111.46 1e0h n ASP 9 Ca -0.02 -0.92 -0.08 0.00 0.52 0.00 0.00 54.79 54.28 1e0h n ASP 9 Cb 0.44 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.74 1e0h n ASP 9 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1e0h s TYR 10 N -2.00 0.58 0.70 -0.67 -0.85 -1.00 -4.94 117.35 109.17 1e0h s TYR 10 Ca 0.15 -0.92 0.01 0.00 -0.52 0.00 0.00 57.07 55.79 1e0h s TYR 10 Cb 0.07 -0.39 0.12 0.00 0.38 0.00 0.00 41.96 42.14 1e0h s TYR 10 CO 0.12 -0.28 0.97 -0.08 -1.52 0.00 0.00 175.55 174.75 1e0h s THR 11 N -3.33 2.15 -0.26 -3.49 -1.32 -1.26 -0.58 115.64 107.54 1e0h s THR 11 Ca 0.04 -0.65 0.28 0.00 -1.21 0.00 0.00 61.69 60.15 1e0h s THR 11 Cb 0.04 -2.50 0.34 0.00 -1.51 0.00 0.00 72.50 68.86 1e0h s THR 11 CO -0.07 0.00 1.81 -0.33 -2.21 0.00 0.00 174.62 173.82 1e0h h GLU 12 N -0.43 0.00 0.10 7.08 5.08 -1.83 0.16 114.58 124.73 1e0h h GLU 12 Ca -0.36 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.72 1e0h h GLU 12 Cb 1.27 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.54 1e0h h GLU 12 CO 0.40 0.00 -1.19 0.00 -1.00 0.00 0.00 179.01 177.22 1e0h h ALA 13 N 2.13 0.07 -0.35 3.43 0.00 -1.93 -0.95 119.26 121.66 1e0h h ALA 13 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 54.91 54.17 1e0h h ALA 13 Cb 0.62 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1e0h h ALA 13 CO 0.00 0.74 0.15 1.49 0.00 0.00 0.00 179.25 181.63 1e0h h GLU 14 N 0.26 0.31 -0.47 0.00 4.81 -1.89 0.12 114.58 117.71 1e0h h GLU 14 Ca -0.16 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 58.93 1e0h h GLU 14 Cb 1.86 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.16 1e0h h GLU 14 CO 0.22 0.20 -0.16 0.35 -0.73 0.00 0.00 179.01 178.89 1e0h h PHE 15 N 0.32 1.03 -0.27 0.92 3.57 -0.72 0.44 116.94 122.23 1e0h h PHE 15 Ca 0.16 -0.22 -0.12 0.00 3.53 0.00 0.00 57.97 61.32 1e0h h PHE 15 Cb 0.10 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1e0h h PHE 15 CO -0.12 1.00 -0.32 1.25 -2.23 0.00 0.00 178.31 177.89 1e0h h LEU 16 N 0.81 0.58 -0.75 0.59 5.85 -0.73 0.27 115.31 121.93 1e0h h LEU 16 Ca 0.12 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 1e0h h LEU 16 Cb 0.70 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1e0h h LEU 16 CO 0.05 0.86 -0.32 -0.61 -0.34 0.00 0.00 178.44 178.09 1e0h h GLN 17 N 0.48 0.60 -0.05 1.25 4.15 -0.82 -0.50 115.11 120.22 1e0h h GLN 17 Ca 0.06 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 1e0h h GLN 17 Cb 0.79 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.46 1e0h h GLN 17 CO 0.06 0.84 0.01 1.25 -1.93 0.00 0.00 178.83 179.06 1e0h h LEU 18 N 0.51 0.08 -0.45 -2.39 5.85 0.34 0.42 115.31 119.66 1e0h h LEU 18 Ca 0.06 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1e0h h LEU 18 Cb 0.80 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 1e0h h LEU 18 CO 0.07 0.30 0.13 0.58 -0.34 0.00 0.00 178.44 179.17 1e0h h VAL 19 N -0.15 0.81 0.00 1.05 2.07 -0.97 -1.37 116.25 117.69 1e0h h VAL 19 Ca 0.02 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1e0h h VAL 19 Cb 0.25 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1e0h h VAL 19 CO 0.00 0.05 -0.15 0.00 0.02 0.00 0.00 177.57 177.49 1e0h h THR 20 N 0.28 0.40 -0.04 2.57 1.03 -0.11 0.17 112.91 117.22 1e0h h THR 20 Ca 0.22 -0.88 -0.08 0.00 -0.01 0.00 0.00 66.41 65.66 1e0h h THR 20 Cb 0.25 1.64 -0.01 0.00 -1.07 0.00 0.00 68.15 68.95 1e0h h THR 20 CO -0.25 0.15 -0.36 0.74 -0.01 0.00 0.00 175.52 175.79 1e0h h THR 21 N 0.00 1.27 0.01 0.00 2.02 0.91 0.21 112.91 117.33 1e0h h THR 21 Ca -0.00 -1.30 -0.15 0.00 0.77 0.00 0.00 66.41 65.73 1e0h h THR 21 Cb 0.63 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1e0h h THR 21 CO 0.02 0.38 -0.82 0.40 0.37 0.00 0.00 175.52 175.86 1e0h h ILE 22 N 0.07 1.24 0.00 3.11 2.04 -0.61 0.35 117.51 123.71 1e0h h ILE 22 Ca 0.01 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.61 1e0h h ILE 22 Cb 0.67 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1e0h h ILE 22 CO 0.05 0.45 0.00 0.00 0.00 0.00 0.00 178.15 178.65 1e0h n ASN 24 N -1.36 2.05 -2.84 0.00 5.15 0.75 -5.00 115.26 114.01 1e0h n ASN 24 Ca 0.00 -0.17 -0.19 0.00 -0.60 0.00 0.00 54.58 53.62 1e0h n ASN 24 Cb 0.00 1.38 0.00 0.00 -0.53 0.00 0.00 39.78 40.64 1e0h n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1e0h n ALA 25 N -1.73 -0.89 0.00 5.20 0.00 0.12 -4.83 120.51 118.38 1e0h n ALA 25 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1e0h n ALA 25 Cb 0.26 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1e0h n ALA 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1e0h n ASP 26 N -2.15 0.00 -2.66 0.00 2.03 -0.95 -4.49 116.55 108.33 1e0h n ASP 26 Ca -0.12 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.12 1e0h n ASP 26 Cb 0.60 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.00 1e0h n ASP 26 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1e0h n THR 27 N -0.52 0.00 0.13 5.18 -2.24 -1.26 -4.98 114.28 110.59 1e0h n THR 27 Ca 0.00 -0.55 0.15 0.00 -2.27 0.00 0.00 64.05 61.37 1e0h n THR 27 Cb 0.00 -0.13 0.42 0.00 -2.10 0.00 0.00 70.33 68.52 1e0h n THR 27 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1e0h h SER 28 N 0.23 0.00 0.00 3.42 4.64 -1.96 -3.45 113.55 116.44 1e0h h SER 28 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1e0h h SER 28 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1e0h h SER 28 CO 0.15 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.91 1e0h n SER 29 N -2.99 0.00 0.00 4.97 7.64 -1.26 -4.76 113.62 117.22 1e0h n SER 29 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1e0h n SER 29 Cb 0.97 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1e0h n SER 29 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1e0h n GLU 30 N -0.97 0.00 -0.01 1.43 2.13 -1.26 -4.96 120.64 117.00 1e0h n GLU 30 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1e0h n GLU 30 Cb 0.00 -0.09 -0.01 0.00 0.27 0.00 0.00 31.44 31.61 1e0h n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1e0h n GLU 31 N 0.00 0.14 -0.36 5.31 0.00 -1.26 -2.95 120.64 121.52 1e0h n GLU 31 Ca 0.00 0.06 0.27 0.00 0.00 0.00 0.00 57.16 57.49 1e0h n GLU 31 Cb 0.14 -0.64 0.54 0.00 0.00 0.00 0.00 31.44 31.48 1e0h n GLU 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1e0h h GLU 32 N -0.27 0.28 0.59 5.31 5.08 -1.96 0.17 114.58 123.78 1e0h h GLU 32 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1e0h h GLU 32 Cb 0.27 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1e0h h GLU 32 CO 0.00 0.19 -0.39 -0.07 -1.00 0.00 0.00 179.01 177.74 1e0h h LEU 33 N 0.29 -1.00 -2.04 1.33 3.38 -1.93 0.89 115.31 116.23 1e0h h LEU 33 Ca 0.70 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.85 1e0h h LEU 33 Cb 1.86 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 42.89 1e0h h LEU 33 CO -0.42 -0.58 0.34 0.58 0.09 0.00 0.00 178.44 178.45 1e0h h VAL 34 N -0.93 0.63 0.09 1.22 2.07 -1.23 0.27 116.25 118.38 1e0h h VAL 34 Ca -0.08 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.15 1e0h h VAL 34 Cb 0.75 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1e0h h VAL 34 CO 0.06 0.00 -1.49 0.50 0.02 0.00 0.00 177.57 176.66 1e0h h LYS 35 N 0.00 0.18 -0.01 1.57 3.64 -0.14 -2.08 116.57 119.73 1e0h h LYS 35 Ca 0.20 -0.32 -0.18 0.00 -1.27 0.00 0.00 60.65 59.08 1e0h h LYS 35 Cb 0.88 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1e0h h LYS 35 CO -0.00 1.02 -0.81 -0.07 -2.27 0.00 0.00 179.45 177.32 1e0h h LEU 36 N 0.05 0.22 0.37 5.20 3.38 0.16 0.27 115.31 124.95 1e0h h LEU 36 Ca -0.22 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1e0h h LEU 36 Cb 1.98 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 1e0h h LEU 36 CO 0.15 0.93 -0.35 0.58 0.09 0.00 0.00 178.44 179.83 1e0h h VAL 37 N 0.10 0.27 -0.34 1.22 2.07 -0.50 -0.86 116.25 118.22 1e0h h VAL 37 Ca -0.03 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.34 1e0h h VAL 37 Cb 1.41 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1e0h h VAL 37 CO 0.12 0.00 -0.38 0.74 0.02 0.00 0.00 177.57 178.07 1e0h h THR 38 N -0.74 1.28 -0.61 2.57 2.02 -1.17 0.72 112.91 116.98 1e0h h THR 38 Ca -0.03 -1.55 0.12 0.00 0.77 0.00 0.00 66.41 65.72 1e0h h THR 38 Cb 0.67 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 1e0h h THR 38 CO -0.06 0.51 0.41 -0.74 0.37 0.00 0.00 175.52 176.01 1e0h h HIS 39 N 0.67 0.36 0.52 3.16 6.17 -0.40 0.26 115.15 125.88 1e0h h HIS 39 Ca 0.06 0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.12 1e0h h HIS 39 Cb 0.94 -0.11 0.01 0.00 2.52 0.00 0.00 27.41 30.76 1e0h h HIS 39 CO 0.05 0.16 -0.25 0.35 0.71 0.00 0.00 177.93 178.95 1e0h h PHE 40 N 0.33 -0.64 -1.25 5.26 3.04 0.62 -0.84 116.94 123.45 1e0h h PHE 40 Ca 0.29 -0.02 0.40 0.00 3.98 0.00 0.00 57.97 62.62 1e0h h PHE 40 Cb 0.68 0.21 -0.13 0.00 2.56 0.00 0.00 35.95 39.28 1e0h h PHE 40 CO -0.00 -0.32 0.80 0.93 -2.02 0.00 0.00 178.31 177.70 1e0h h GLU 41 N -1.03 0.14 0.07 1.11 5.08 -0.69 -1.32 114.58 117.94 1e0h h GLU 41 Ca -0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1e0h h GLU 41 Cb 0.61 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1e0h h GLU 41 CO 0.12 0.09 -0.03 1.49 -1.00 0.00 0.00 179.01 179.67 1e0h h GLU 42 N 0.14 -0.09 0.07 2.33 4.57 -0.50 -3.39 114.58 117.71 1e0h h GLU 42 Ca 0.78 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.96 1e0h h GLU 42 Cb 2.35 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.96 1e0h h GLU 42 CO -0.42 0.25 -0.03 0.52 -1.18 0.00 0.00 179.01 178.15 1e0h h MET 43 N -0.99 -0.09 -0.19 1.92 2.86 0.05 -3.08 114.93 115.41 1e0h h MET 43 Ca -0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1e0h h MET 43 Cb 0.39 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1e0h h MET 43 CO 0.02 -0.03 0.00 -2.37 1.06 0.00 0.00 176.91 175.59 1e0h n THR 44 N -5.11 0.24 -1.96 2.22 5.66 -1.15 -4.23 114.28 109.94 1e0h n THR 44 Ca -0.08 -0.41 -0.13 0.00 -3.05 0.00 0.00 64.05 60.38 1e0h n THR 44 Cb 0.08 0.52 -0.03 0.00 -1.55 0.00 0.00 70.33 69.35 1e0h n THR 44 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1e0h n GLU 45 N 0.54 -1.78 -3.12 1.09 1.02 -1.17 -4.88 120.64 112.34 1e0h n GLU 45 Ca 0.17 0.70 -0.39 0.00 -0.02 0.00 0.00 57.16 57.61 1e0h n GLU 45 Cb 0.38 -5.14 -0.05 0.00 -0.02 0.00 0.00 31.44 26.61 1e0h n GLU 45 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1e0h s HIS 46 N -2.41 3.63 0.07 -0.32 2.46 -1.26 -4.98 115.29 112.47 1e0h s HIS 46 Ca 0.00 1.22 -0.14 0.00 0.47 0.00 0.00 55.06 56.62 1e0h s HIS 46 Cb 0.00 -2.71 -0.03 0.00 -0.13 0.00 0.00 32.58 29.71 1e0h s HIS 46 CO 0.00 0.21 0.75 -2.30 -2.47 0.00 0.00 174.74 170.93 1e0h n PRO 47 N 3.28 -0.19 -1.07 2.88 -0.02 -1.26 -3.65 135.00 134.96 1e0h n PRO 47 Ca -0.04 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 62.04 1e0h n PRO 47 Cb 0.51 -1.09 0.17 0.00 -0.02 0.00 0.00 33.50 33.07 1e0h n PRO 47 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1e0h n SER 48 N -4.34 3.49 0.00 2.55 7.64 -1.26 -4.89 113.62 116.81 1e0h n SER 48 Ca 0.01 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1e0h n SER 48 Cb 0.11 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1e0h n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1e0h n GLY 49 N -1.08 0.00 0.00 0.23 0.00 -1.24 0.10 105.19 103.21 1e0h n GLY 49 Ca 0.44 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.53 1e0h n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1e0h n SER 50 N -1.92 0.00 0.00 1.61 3.41 -1.26 -2.86 113.62 112.60 1e0h n SER 50 Ca 0.00 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1e0h n SER 50 Cb 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1e0h n SER 50 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1e0h n ASP 51 N -1.15 0.00 -2.18 4.04 9.92 0.14 -4.29 116.55 123.03 1e0h n ASP 51 Ca 0.08 -1.00 -0.10 0.00 -0.53 0.00 0.00 54.79 53.24 1e0h n ASP 51 Cb 0.08 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.61 1e0h n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1e0h n LEU 52 N 0.00 3.17 0.00 0.64 -0.00 0.29 -4.19 117.00 116.91 1e0h n LEU 52 Ca 0.00 -3.82 0.00 0.00 -0.00 0.00 0.00 56.01 52.19 1e0h n LEU 52 Cb 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1e0h n LEU 52 CO 0.00 1.52 -0.17 -0.38 -0.00 0.00 0.00 177.39 178.36 1e0h n ILE 53 N -0.62 0.00 0.00 1.47 2.08 -1.25 -4.73 119.36 116.31 1e0h n ILE 53 Ca 0.25 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.56 1e0h n ILE 53 Cb 0.89 -0.21 0.00 0.00 -0.75 0.00 0.00 39.64 39.57 1e0h n ILE 53 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1e0h n TYR 54 N -1.66 -0.10 -0.15 1.39 4.01 -1.26 -4.97 117.16 114.42 1e0h n TYR 54 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1e0h n TYR 54 Cb 0.17 0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1e0h n TYR 54 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1e0h h TYR 55 N 0.00 0.79 -1.08 -0.72 3.20 -1.90 -3.43 116.97 113.84 1e0h h TYR 55 Ca 0.00 -0.12 -0.81 0.00 3.14 0.00 0.00 58.73 60.94 1e0h h TYR 55 Cb 0.00 -0.21 0.03 0.00 1.54 0.00 0.00 36.73 38.09 1e0h h TYR 55 CO 0.00 0.76 0.38 -0.35 -1.64 0.00 0.00 178.16 177.31 1e0h n PRO 56 N -4.46 0.14 0.00 1.82 -0.04 -1.26 -4.72 135.00 126.48 1e0h n PRO 56 Ca 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1e0h n PRO 56 Cb 0.25 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1e0h n PRO 56 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1e0h n LYS 57 N 2.76 0.00 0.05 0.54 4.81 -1.20 -4.52 118.16 120.60 1e0h n LYS 57 Ca 0.25 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.81 1e0h n LYS 57 Cb 0.04 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.28 1e0h n LYS 57 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1e0h n GLU 58 N -1.62 0.23 -0.09 1.64 2.13 -1.26 -3.27 120.64 118.39 1e0h n GLU 58 Ca 0.00 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1e0h n GLU 58 Cb 0.00 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.07 1e0h n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1e0h n GLY 59 N 1.37 -1.14 3.13 8.31 0.00 -1.26 -5.10 105.19 110.51 1e0h n GLY 59 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1e0h n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1e0h s ASP 60 N -0.12 4.75 -1.12 1.61 -1.08 -1.20 -5.02 116.67 114.49 1e0h s ASP 60 Ca 0.00 -1.37 -0.24 0.00 -0.52 0.00 0.00 52.55 50.42 1e0h s ASP 60 Cb 0.00 -1.66 -0.13 0.00 -1.46 0.00 0.00 42.92 39.68 1e0h s ASP 60 CO 0.00 -0.25 2.00 -0.62 0.52 0.00 0.00 175.17 176.82 1e0h s ASP 61 N 1.21 4.55 -0.18 -0.34 2.15 -1.26 -3.23 116.67 119.58 1e0h s ASP 61 Ca -0.06 -1.35 0.12 0.00 0.43 0.00 0.00 52.55 51.70 1e0h s ASP 61 Cb -0.20 -2.59 0.67 0.00 -0.30 0.00 0.00 42.92 40.50 1e0h s ASP 61 CO -0.03 -3.56 1.53 -0.90 -0.17 0.00 0.00 175.17 172.05 1e0h n ASP 62 N 15.99 4.78 -4.49 -0.34 5.75 -1.26 -2.54 116.55 134.43 1e0h n ASP 62 Ca 0.44 -2.69 -0.36 0.00 -0.01 0.00 0.00 54.79 52.17 1e0h n ASP 62 Cb 0.47 -0.63 0.08 0.00 -1.03 0.00 0.00 41.12 40.00 1e0h n ASP 62 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1e0h n SER 63 N 0.61 -0.91 0.04 -1.12 3.41 -1.26 -4.26 113.62 110.14 1e0h n SER 63 Ca 0.23 0.59 0.02 0.00 -0.26 0.00 0.00 58.87 59.45 1e0h n SER 63 Cb 0.99 -1.26 0.10 0.00 -0.26 0.00 0.00 64.21 63.78 1e0h n SER 63 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1e0h n PRO 64 N -1.06 0.03 -0.07 4.33 -0.02 -1.26 -0.48 135.00 136.46 1e0h n PRO 64 Ca 0.10 0.39 -0.05 0.00 -2.02 0.00 0.00 63.50 61.93 1e0h n PRO 64 Cb 0.50 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 1e0h n PRO 64 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1e0h n SER 65 N -1.53 1.77 -0.33 2.55 7.64 -1.26 -4.45 113.62 118.01 1e0h n SER 65 Ca -0.00 0.57 0.24 0.00 1.01 0.00 0.00 58.87 60.68 1e0h n SER 65 Cb 0.20 -0.84 0.47 0.00 -1.01 0.00 0.00 64.21 63.03 1e0h n SER 65 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1e0h h GLY 66 N -0.97 1.97 1.26 0.23 0.00 -0.95 0.64 103.07 105.25 1e0h h GLY 66 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1e0h h GLY 66 CO 0.00 -0.56 -0.05 0.16 0.00 0.00 0.00 176.54 176.09 1e0h h ILE 67 N 0.20 1.26 -0.21 2.60 3.07 -0.73 0.56 117.51 124.26 1e0h h ILE 67 Ca 0.73 -1.14 -0.14 0.00 1.55 0.00 0.00 64.86 65.87 1e0h h ILE 67 Cb 1.72 0.92 -0.01 0.00 -0.27 0.00 0.00 36.82 39.18 1e0h h ILE 67 CO -0.68 0.40 -0.45 0.58 -1.05 0.00 0.00 178.15 176.95 1e0h h VAL 68 N 0.81 1.31 -0.34 0.16 2.07 -0.88 -0.02 116.25 119.36 1e0h h VAL 68 Ca 0.14 -1.65 0.10 0.00 0.82 0.00 0.00 66.70 66.11 1e0h h VAL 68 Cb 0.56 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1e0h h VAL 68 CO 0.03 0.51 0.26 0.78 0.02 0.00 0.00 177.57 179.18 1e0h h ASN 69 N 0.42 0.00 0.13 0.57 2.35 0.11 0.45 115.58 119.62 1e0h h ASN 69 Ca 0.03 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.53 1e0h h ASN 69 Cb 0.96 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.34 1e0h h ASN 69 CO 0.08 0.00 -1.00 0.74 -1.65 0.00 0.00 177.43 175.60 1e0h h THR 70 N 0.00 1.33 -0.63 2.81 2.02 0.21 -0.24 112.91 118.40 1e0h h THR 70 Ca 0.16 -2.32 -0.01 0.00 0.77 0.00 0.00 66.41 65.01 1e0h h THR 70 Cb 0.68 2.39 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 1e0h h THR 70 CO -0.00 0.71 0.36 0.58 0.37 0.00 0.00 175.52 177.53 1e0h h VAL 71 N 0.33 1.20 0.00 3.16 2.07 -1.31 -0.74 116.25 120.96 1e0h h VAL 71 Ca -0.11 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1e0h h VAL 71 Cb 1.65 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1e0h h VAL 71 CO 0.19 0.21 0.00 0.29 0.02 0.00 0.00 177.57 178.28 1e0h n LYS 72 N -4.56 0.25 0.00 1.57 4.01 0.13 0.76 118.16 120.32 1e0h n LYS 72 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1e0h n LYS 72 Cb 0.08 -1.34 0.00 0.00 -0.51 0.00 0.00 35.03 33.26 1e0h n LYS 72 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1e0h n GLN 73 N -0.84 0.00 0.21 1.97 6.02 -1.03 -3.84 117.38 119.88 1e0h n GLN 73 Ca 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.95 1e0h n GLN 73 Cb 0.02 -0.70 -0.04 0.00 1.02 0.00 0.00 30.24 30.54 1e0h n GLN 73 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 1e0h h TRP 74 N 0.00 -0.51 0.00 1.08 7.01 -0.52 0.11 115.95 123.12 1e0h h TRP 74 Ca 0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1e0h h TRP 74 Cb 0.85 0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.08 1e0h h TRP 74 CO 0.00 -0.32 0.12 0.54 -2.79 0.00 0.00 178.44 175.99 1e0h n ARG 75 N -3.75 0.02 -0.06 2.65 1.74 0.23 0.21 116.66 117.71 1e0h n ARG 75 Ca -0.07 0.43 -0.02 0.00 -0.77 0.00 0.00 57.85 57.43 1e0h n ARG 75 Cb 0.22 -1.69 -0.16 0.00 -1.02 0.00 0.00 32.46 29.80 1e0h n ARG 75 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1e0h n ALA 76 N -1.45 2.00 -0.06 7.54 0.00 -1.14 0.32 120.51 127.72 1e0h n ALA 76 Ca -0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 53.44 52.27 1e0h n ALA 76 Cb 0.12 -0.41 -0.14 0.00 0.00 0.00 0.00 19.45 19.03 1e0h n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1e0h n ALA 77 N -2.56 1.30 0.61 0.00 0.00 0.37 -3.03 120.51 117.20 1e0h n ALA 77 Ca -0.22 -0.93 0.12 0.00 0.00 0.00 0.00 53.44 52.42 1e0h n ALA 77 Cb 0.93 -0.46 0.46 0.00 0.00 0.00 0.00 19.45 20.38 1e0h n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1e0h n ASN 78 N -3.17 0.51 -1.25 0.00 2.85 0.13 -4.93 115.26 109.40 1e0h n ASN 78 Ca -0.32 0.58 -0.15 0.00 -0.11 0.00 0.00 54.58 54.58 1e0h n ASN 78 Cb 1.06 -0.70 -0.05 0.00 1.24 0.00 0.00 39.78 41.33 1e0h n ASN 78 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1e0h n GLY 79 N 0.76 1.07 0.30 8.20 0.00 -1.15 -4.86 105.19 109.51 1e0h n GLY 79 Ca 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 1e0h n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1e0h n LYS 80 N -2.53 -0.20 0.00 1.61 4.76 0.15 -4.90 118.16 117.05 1e0h n LYS 80 Ca -0.15 1.21 0.00 0.00 -2.87 0.00 0.00 58.31 56.49 1e0h n LYS 80 Cb 0.52 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 1e0h n LYS 80 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1e0h n SER 81 N -5.14 -3.80 0.00 4.39 7.64 -1.24 -5.01 113.62 110.47 1e0h n SER 81 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1e0h n SER 81 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1e0h n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1e0h n GLY 82 N 0.00 0.99 4.00 0.23 0.00 -1.26 -5.07 105.19 104.07 1e0h n GLY 82 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1e0h n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1e0h s PHE 83 N -2.00 1.87 0.66 1.61 0.08 -1.26 -3.20 117.98 115.74 1e0h s PHE 83 Ca 0.00 -0.30 -0.11 0.00 0.12 0.00 0.00 56.93 56.64 1e0h s PHE 83 Cb 0.00 -2.79 0.16 0.00 -0.57 0.00 0.00 43.02 39.82 1e0h s PHE 83 CO 0.00 -1.40 0.69 1.17 -0.10 0.00 0.00 175.22 175.59 1e0h n LYS 84 N -2.60 -1.67 0.00 0.44 4.81 0.26 -4.93 118.16 114.47 1e0h n LYS 84 Ca 0.13 -1.09 0.00 0.00 -0.87 0.00 0.00 58.31 56.48 1e0h n LYS 84 Cb 0.60 -0.89 0.00 0.00 0.02 0.00 0.00 35.03 34.76 1e0h n LYS 84 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1e0h n GLN 85 N -3.13 0.00 0.00 1.64 10.64 -1.26 -4.09 117.38 121.17 1e0h n GLN 85 Ca 0.09 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 1e0h n GLN 85 Cb 0.34 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.72 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64