#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e0h n GLU 2 N 0.00 0.00 -0.01 3.17 4.71 -1.26 -2.04 120.64 125.21 1e0h n GLU 2 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 1e0h n GLU 2 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1e0h n GLU 2 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1e0h n LEU 3 N 0.00 0.30 0.00 -4.62 0.00 -1.26 -5.08 117.00 106.34 1e0h n LEU 3 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 56.01 56.15 1e0h n LEU 3 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 43.42 42.87 1e0h n LEU 3 CO 0.00 -0.47 0.00 0.29 0.00 0.00 0.00 177.39 177.21 1e0h n LYS 4 N -2.76 0.00 0.00 1.96 4.01 -0.87 -4.96 118.16 115.55 1e0h n LYS 4 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 1e0h n LYS 4 Cb 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.59 1e0h n LYS 4 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1e0h n HIS 5 N 0.23 0.00 -3.95 2.13 8.25 -1.26 -4.96 115.22 115.66 1e0h n HIS 5 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1e0h n HIS 5 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 1e0h n HIS 5 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1e0h s SER 6 N -1.49 0.18 0.00 0.41 1.04 -1.26 -5.01 113.70 107.57 1e0h s SER 6 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1e0h s SER 6 Cb 0.00 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1e0h s SER 6 CO 0.00 -0.18 0.29 0.00 0.98 0.00 0.00 173.24 174.33 1e0h n ILE 7 N 2.16 0.00 -0.22 -1.02 3.06 -1.25 -1.27 119.36 120.82 1e0h n ILE 7 Ca -0.19 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.06 1e0h n ILE 7 Cb 0.57 -0.92 0.00 0.00 0.54 0.00 0.00 39.64 39.82 1e0h n ILE 7 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1e0h n SER 8 N -0.76 0.06 0.10 9.51 2.88 -1.26 -3.87 113.62 120.28 1e0h n SER 8 Ca 0.00 -0.36 0.12 0.00 -1.33 0.00 0.00 58.87 57.29 1e0h n SER 8 Cb 0.00 0.16 0.46 0.00 -0.75 0.00 0.00 64.21 64.08 1e0h n SER 8 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1e0h n ASP 9 N -0.16 0.58 -4.42 -3.46 2.03 -0.39 -4.40 116.55 106.32 1e0h n ASP 9 Ca 0.00 0.62 -0.26 0.00 0.52 0.00 0.00 54.79 55.67 1e0h n ASP 9 Cb 0.05 -0.75 -0.11 0.00 -0.72 0.00 0.00 41.12 39.59 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 -3.22 2.24 0.80 -0.67 1.13 -1.26 -4.92 117.35 111.46 1e0h s TYR 10 Ca 0.06 -0.37 -0.10 0.00 -1.41 0.00 0.00 57.07 55.26 1e0h s TYR 10 Cb 0.10 -1.09 0.11 0.00 -1.10 0.00 0.00 41.96 39.98 1e0h s TYR 10 CO 0.42 0.51 1.13 0.95 -2.51 0.00 0.00 175.55 176.05 1e0h s THR 11 N -1.83 2.13 0.41 -3.49 -4.23 -1.26 -3.11 115.64 104.26 1e0h s THR 11 Ca 0.21 -0.18 0.16 0.00 -1.18 0.00 0.00 61.69 60.70 1e0h s THR 11 Cb -0.07 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.98 1e0h s THR 11 CO 0.10 0.00 1.93 -0.08 -0.54 0.00 0.00 174.62 176.04 1e0h h GLU 12 N -0.96 0.00 0.00 3.99 4.81 -1.88 -1.54 114.58 119.00 1e0h h GLU 12 Ca -0.44 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.61 1e0h h GLU 12 Cb 1.29 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1e0h h GLU 12 CO 0.53 0.25 -1.12 0.00 -0.73 0.00 0.00 179.01 177.95 1e0h h ALA 13 N 1.75 0.61 -0.35 2.92 0.00 -1.90 -2.08 119.26 120.20 1e0h h ALA 13 Ca -0.00 -0.87 0.02 0.00 0.00 0.00 0.00 54.91 54.05 1e0h h ALA 13 Cb 0.47 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1e0h h ALA 13 CO 0.03 1.05 0.20 1.49 0.00 0.00 0.00 179.25 182.02 1e0h h GLU 14 N 0.00 0.40 -0.13 0.00 4.81 -1.78 -0.22 114.58 117.66 1e0h h GLU 14 Ca -0.11 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 1e0h h GLU 14 Cb 1.66 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.94 1e0h h GLU 14 CO 0.08 0.26 -0.59 0.35 -0.73 0.00 0.00 179.01 178.38 1e0h h PHE 15 N 0.41 0.53 -0.40 0.92 3.57 -1.34 -1.65 116.94 118.98 1e0h h PHE 15 Ca 0.14 -0.20 -0.08 0.00 3.53 0.00 0.00 57.97 61.36 1e0h h PHE 15 Cb 0.01 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1e0h h PHE 15 CO -0.08 0.90 -0.08 1.25 -2.23 0.00 0.00 178.31 178.07 1e0h h LEU 16 N 0.31 0.67 -0.83 0.59 5.85 -0.95 0.06 115.31 121.01 1e0h h LEU 16 Ca -0.00 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1e0h h LEU 16 Cb 1.12 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1e0h h LEU 16 CO 0.10 0.80 -0.13 -0.61 -0.34 0.00 0.00 178.44 178.26 1e0h h GLN 17 N 0.64 0.73 -0.11 1.25 4.15 -0.94 -1.08 115.11 119.75 1e0h h GLN 17 Ca 0.12 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1e0h h GLN 17 Cb 0.52 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1e0h h GLN 17 CO 0.03 0.83 0.02 1.25 -1.93 0.00 0.00 178.83 179.04 1e0h h LEU 18 N 0.66 0.16 -0.85 -2.39 7.12 -0.10 0.29 115.31 120.20 1e0h h LEU 18 Ca 0.11 -0.24 0.13 0.00 0.13 0.00 0.00 57.88 58.01 1e0h h LEU 18 Cb 0.60 -0.04 -0.09 0.00 -0.53 0.00 0.00 40.66 40.60 1e0h h LEU 18 CO 0.04 0.36 0.46 0.58 -0.13 0.00 0.00 178.44 179.76 1e0h h VAL 19 N -0.04 0.79 0.00 1.05 2.07 -0.98 0.08 116.25 119.22 1e0h h VAL 19 Ca 0.03 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1e0h h VAL 19 Cb 0.27 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1e0h h VAL 19 CO 0.00 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1e0h h THR 20 N 0.70 0.00 0.00 2.57 1.03 -0.19 0.12 112.91 117.14 1e0h h THR 20 Ca 0.45 -0.61 -0.11 0.00 -0.01 0.00 0.00 66.41 66.13 1e0h h THR 20 Cb 0.56 1.57 -0.02 0.00 -1.07 0.00 0.00 68.15 69.20 1e0h h THR 20 CO -0.32 0.00 -0.53 0.74 -0.01 0.00 0.00 175.52 175.40 1e0h h THR 21 N 0.00 1.28 0.00 0.00 2.02 0.15 0.70 112.91 117.07 1e0h h THR 21 Ca 0.00 -1.86 -0.08 0.00 0.77 0.00 0.00 66.41 65.23 1e0h h THR 21 Cb 0.65 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1e0h h THR 21 CO 0.00 0.52 -0.47 0.40 0.37 0.00 0.00 175.52 176.34 1e0h h ILE 22 N 0.00 1.35 0.00 3.11 2.04 -0.81 0.53 117.51 123.73 1e0h h ILE 22 Ca -0.01 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.66 1e0h h ILE 22 Cb 0.99 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 1e0h h ILE 22 CO 0.07 0.46 0.00 0.00 0.00 0.00 0.00 178.15 178.68 1e0h n ASN 24 N -1.03 1.94 -3.38 0.00 5.15 0.24 -4.98 115.26 113.19 1e0h n ASN 24 Ca 0.02 -0.32 -0.23 0.00 -0.60 0.00 0.00 54.58 53.44 1e0h n ASN 24 Cb 0.01 1.13 -0.00 0.00 -0.53 0.00 0.00 39.78 40.39 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 -1.41 -1.07 0.16 5.20 0.00 0.18 -4.83 120.51 118.74 1e0h n ALA 25 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1e0h n ALA 25 Cb 0.12 -2.80 0.01 0.00 0.00 0.00 0.00 19.45 16.77 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 -2.30 0.00 -1.85 0.00 2.03 -0.77 -4.69 116.55 108.97 1e0h n ASP 26 Ca -0.01 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1e0h n ASP 26 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.56 0.00 -0.11 5.18 -2.24 -1.26 -4.98 114.28 110.31 1e0h n THR 27 Ca 0.00 0.00 0.26 0.00 -2.27 0.00 0.00 64.05 62.04 1e0h n THR 27 Cb 0.00 -0.81 0.72 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.00 0.00 0.00 3.42 4.64 -1.94 -3.45 113.55 116.22 1e0h h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1e0h h SER 28 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1e0h h SER 28 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1e0h n SER 29 N -4.21 0.00 0.00 4.97 3.41 -1.26 -4.88 113.62 111.64 1e0h n SER 29 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1e0h n SER 29 Cb 0.85 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1e0h n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1e0h n GLU 30 N 0.00 0.00 -0.00 4.33 1.02 -1.26 -4.91 120.64 119.82 1e0h n GLU 30 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1e0h n GLU 30 Cb 0.00 -0.12 -0.00 0.00 -0.02 0.00 0.00 31.44 31.30 1e0h n GLU 30 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1e0h n GLU 31 N 0.00 0.05 -0.33 3.49 0.00 -1.26 -3.31 120.64 119.29 1e0h n GLU 31 Ca 0.00 0.02 0.36 0.00 0.00 0.00 0.00 57.16 57.54 1e0h n GLU 31 Cb 0.25 -0.37 0.74 0.00 0.00 0.00 0.00 31.44 32.05 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 -0.10 0.00 0.71 5.31 4.39 -1.95 0.27 114.58 123.21 1e0h h GLU 32 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1e0h h GLU 32 Cb 0.10 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1e0h h GLU 32 CO 0.00 0.00 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.44 1e0h h LEU 33 N 0.00 -0.80 -2.60 1.33 3.38 -1.91 0.67 115.31 115.38 1e0h h LEU 33 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1e0h h LEU 33 Cb 2.42 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 43.38 1e0h h LEU 33 CO -0.01 -0.49 0.01 0.58 0.09 0.00 0.00 178.44 178.63 1e0h h VAL 34 N -1.09 0.38 0.07 1.22 2.07 -1.03 0.06 116.25 117.93 1e0h h VAL 34 Ca -0.10 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.08 1e0h h VAL 34 Cb 0.75 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1e0h h VAL 34 CO 0.16 0.00 -1.94 1.17 0.02 0.00 0.00 177.57 176.98 1e0h n LYS 35 N -3.64 0.68 0.11 1.57 0.00 0.76 -2.38 118.16 115.26 1e0h n LYS 35 Ca -0.03 0.32 0.03 0.00 0.00 0.00 0.00 58.31 58.64 1e0h n LYS 35 Cb 0.09 -1.67 0.42 0.00 0.00 0.00 0.00 35.03 33.87 1e0h n LYS 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1e0h h LEU 36 N -0.29 0.24 0.08 3.14 3.38 0.42 0.32 115.31 122.61 1e0h h LEU 36 Ca -0.45 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.49 1e0h h LEU 36 Cb 1.80 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 1e0h h LEU 36 CO -0.05 0.34 -0.13 0.58 0.09 0.00 0.00 178.44 179.27 1e0h h VAL 37 N 0.26 0.71 -0.09 1.22 2.07 -1.02 -1.56 116.25 117.83 1e0h h VAL 37 Ca 0.06 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.41 1e0h h VAL 37 Cb 0.27 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1e0h h VAL 37 CO 0.01 0.00 -0.65 0.74 0.02 0.00 0.00 177.57 177.69 1e0h h THR 38 N -0.25 1.38 -0.91 2.57 2.02 -0.99 -0.55 112.91 116.18 1e0h h THR 38 Ca 0.02 -2.04 0.10 0.00 0.77 0.00 0.00 66.41 65.27 1e0h h THR 38 Cb 0.27 2.02 -0.08 0.00 -1.74 0.00 0.00 68.15 68.62 1e0h h THR 38 CO -0.07 0.61 0.55 -0.74 0.37 0.00 0.00 175.52 176.24 1e0h h HIS 39 N 0.26 1.00 0.56 3.16 6.17 -0.32 0.32 115.15 126.29 1e0h h HIS 39 Ca -0.01 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.07 1e0h h HIS 39 Cb 1.20 -0.31 0.01 0.00 2.52 0.00 0.00 27.41 30.82 1e0h h HIS 39 CO 0.03 0.42 -0.27 0.35 0.71 0.00 0.00 177.93 179.17 1e0h h PHE 40 N 0.91 -0.69 -1.06 5.26 3.04 -0.06 0.09 116.94 124.42 1e0h h PHE 40 Ca 0.44 -0.02 0.32 0.00 3.98 0.00 0.00 57.97 62.69 1e0h h PHE 40 Cb 0.39 0.23 -0.13 0.00 2.56 0.00 0.00 35.95 39.00 1e0h h PHE 40 CO -0.03 -0.42 0.64 0.93 -2.02 0.00 0.00 178.31 177.40 1e0h h GLU 41 N -0.77 0.32 0.27 1.11 5.08 -0.83 -2.64 114.58 117.12 1e0h h GLU 41 Ca -0.08 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1e0h h GLU 41 Cb 0.58 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1e0h h GLU 41 CO 0.13 0.21 -0.13 1.49 -1.00 0.00 0.00 179.01 179.71 1e0h h GLU 42 N 0.33 -0.35 -0.31 2.33 4.22 -0.07 -3.32 114.58 117.40 1e0h h GLU 42 Ca 0.71 0.02 0.07 0.00 0.08 0.00 0.00 59.36 60.25 1e0h h GLU 42 Cb 1.75 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 31.00 1e0h h GLU 42 CO -0.50 -0.09 -0.25 0.52 -2.18 0.00 0.00 179.01 176.50 1e0h h MET 43 N -1.03 -0.22 -0.09 1.92 2.86 -0.59 -2.72 114.93 115.06 1e0h h MET 43 Ca -0.04 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1e0h h MET 43 Cb 0.42 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1e0h h MET 43 CO 0.06 -0.14 0.00 -2.37 1.06 0.00 0.00 176.91 175.52 1e0h n THR 44 N -5.39 0.14 -3.52 2.22 5.66 -1.23 -3.90 114.28 108.25 1e0h n THR 44 Ca 0.00 -0.57 -0.24 0.00 -3.05 0.00 0.00 64.05 60.19 1e0h n THR 44 Cb 0.30 1.23 -0.02 0.00 -1.55 0.00 0.00 70.33 70.30 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 0.96 -2.65 -2.70 1.09 1.02 -1.03 -4.88 120.64 112.44 1e0h n GLU 45 Ca 0.11 0.30 -0.41 0.00 -0.02 0.00 0.00 57.16 57.14 1e0h n GLU 45 Cb 0.43 -4.94 -0.04 0.00 -0.02 0.00 0.00 31.44 26.87 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 -2.85 3.75 0.08 -0.32 2.46 -1.25 -4.97 115.29 112.19 1e0h s HIS 46 Ca 0.45 1.75 -0.15 0.00 0.47 0.00 0.00 55.06 57.58 1e0h s HIS 46 Cb -0.25 -3.09 -0.03 0.00 -0.13 0.00 0.00 32.58 29.07 1e0h s HIS 46 CO 0.55 0.06 1.26 -1.35 -2.47 0.00 0.00 174.74 172.79 1e0h h PRO 47 N 5.86 -0.01 -0.91 2.88 0.10 -1.93 -3.07 132.00 134.92 1e0h h PRO 47 Ca -0.42 0.00 -0.22 0.00 0.10 0.00 0.00 66.00 65.46 1e0h h PRO 47 Cb 1.21 0.00 -0.13 0.00 0.10 0.00 0.00 31.00 32.18 1e0h h PRO 47 CO 0.73 -0.00 0.28 0.43 0.10 0.00 0.00 178.00 179.53 1e0h n SER 48 N -4.08 3.66 -0.11 -2.05 7.64 -1.26 -4.67 113.62 112.75 1e0h n SER 48 Ca 0.01 -2.88 -0.03 0.00 1.01 0.00 0.00 58.87 56.98 1e0h n SER 48 Cb 0.13 -0.68 -0.03 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 -0.23 -1.52 0.00 0.23 0.00 -1.16 0.11 105.19 102.61 1e0h n GLY 49 Ca 0.31 0.47 0.02 0.00 0.00 0.00 0.00 46.02 46.82 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 -3.59 0.00 0.00 1.61 3.41 -1.26 -3.07 113.62 110.72 1e0h n SER 50 Ca 0.01 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1e0h n SER 50 Cb 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.76 0.00 -2.54 4.04 9.92 0.85 -4.86 116.55 123.20 1e0h n ASP 51 Ca 0.03 -1.00 -0.11 0.00 -0.53 0.00 0.00 54.79 53.18 1e0h n ASP 51 Cb 0.01 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.52 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 2.81 0.00 0.64 -0.00 0.29 -3.77 117.00 116.97 1e0h n LEU 52 Ca 0.00 -3.85 0.00 0.00 -0.00 0.00 0.00 56.01 52.16 1e0h n LEU 52 Cb 0.38 0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1e0h n LEU 52 CO 0.00 1.55 0.31 -0.38 -0.00 0.00 0.00 177.39 178.87 1e0h n ILE 53 N -0.52 0.38 0.00 1.47 2.08 -1.26 -4.68 119.36 116.83 1e0h n ILE 53 Ca 0.21 -0.47 0.00 0.00 0.56 0.00 0.00 62.75 63.05 1e0h n ILE 53 Cb 0.83 0.95 0.00 0.00 -0.75 0.00 0.00 39.64 40.67 1e0h n ILE 53 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1e0h n TYR 54 N -0.19 0.00 0.08 1.39 0.18 -1.26 -4.94 117.16 112.42 1e0h n TYR 54 Ca 0.00 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.56 1e0h n TYR 54 Cb 0.28 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.09 1e0h n TYR 54 CO 0.00 0.00 0.00 1.88 -2.08 0.00 0.00 176.86 176.66 1e0h h TYR 55 N 0.00 0.73 -2.09 -3.48 0.05 -1.92 -3.43 116.97 106.83 1e0h h TYR 55 Ca 0.00 -0.53 -0.63 0.00 0.05 0.00 0.00 58.73 57.61 1e0h h TYR 55 Cb 0.00 -0.03 0.09 0.00 1.01 0.00 0.00 36.73 37.80 1e0h h TYR 55 CO 0.00 1.62 0.16 -0.35 -1.05 0.00 0.00 178.16 178.54 1e0h n PRO 56 N -3.59 1.16 0.00 4.88 -0.04 -1.25 -4.75 135.00 131.41 1e0h n PRO 56 Ca -0.22 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1e0h n PRO 56 Cb 1.08 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 1.29 0.00 0.09 0.54 4.81 -1.13 -4.64 118.16 119.12 1e0h n LYS 57 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.54 1e0h n LYS 57 Cb 0.28 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.28 1e0h n LYS 57 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1e0h h GLU 58 N 0.00 0.00 0.00 1.64 4.57 -1.98 -3.30 114.58 115.51 1e0h h GLU 58 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1e0h h GLU 58 Cb 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 28.48 1e0h h GLU 58 CO 0.00 0.80 -0.31 0.41 -1.18 0.00 0.00 179.01 178.72 1e0h n GLY 59 N 1.21 0.73 3.03 1.92 0.00 -1.26 -5.12 105.19 105.70 1e0h n GLY 59 Ca 0.01 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1e0h n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e0h s ASP 60 N -0.81 2.45 -0.84 1.61 1.01 -1.24 -5.05 116.67 113.80 1e0h s ASP 60 Ca 0.04 -0.43 -0.21 0.00 0.71 0.00 0.00 52.55 52.67 1e0h s ASP 60 Cb 0.05 -1.08 -0.20 0.00 1.01 0.00 0.00 42.92 42.70 1e0h s ASP 60 CO -0.02 -0.01 2.36 -0.67 0.21 0.00 0.00 175.17 177.03 1e0h n ASP 61 N 4.37 0.71 0.00 0.27 2.03 -1.26 -2.82 116.55 119.86 1e0h n ASP 61 Ca -0.18 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.19 1e0h n ASP 61 Cb 0.51 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1e0h n ASP 61 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1e0h n ASP 62 N 13.58 0.00 0.00 1.67 2.03 -1.26 -3.05 116.55 129.53 1e0h n ASP 62 Ca 0.54 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1e0h n ASP 62 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 1e0h n ASP 62 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1e0h n SER 63 N 0.00 0.00 0.00 1.67 7.64 -1.26 0.69 113.62 122.36 1e0h n SER 63 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1e0h n SER 63 Cb 0.00 0.00 0.77 0.00 -1.01 0.00 0.00 64.21 63.97 1e0h n SER 63 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1e0h n PRO 64 N 0.00 0.44 0.00 1.43 -0.04 -1.26 -4.46 135.00 131.11 1e0h n PRO 64 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1e0h n PRO 64 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1e0h n PRO 64 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1e0h n SER 65 N -1.28 0.05 0.07 3.54 3.41 -0.82 -4.40 113.62 114.21 1e0h n SER 65 Ca 0.15 0.01 0.21 0.00 -0.26 0.00 0.00 58.87 58.97 1e0h n SER 65 Cb 0.24 -0.02 0.74 0.00 -0.26 0.00 0.00 64.21 64.91 1e0h n SER 65 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1e0h h GLY 66 N 0.00 0.00 0.53 5.00 0.00 -0.43 0.24 103.07 108.41 1e0h h GLY 66 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1e0h h GLY 66 CO 0.00 0.00 -0.14 0.16 0.00 0.00 0.00 176.54 176.56 1e0h h ILE 67 N 0.00 1.46 -0.19 2.60 3.07 0.35 0.71 117.51 125.51 1e0h h ILE 67 Ca 0.21 -1.57 -0.05 0.00 1.55 0.00 0.00 64.86 64.99 1e0h h ILE 67 Cb 1.09 2.39 -0.01 0.00 -0.27 0.00 0.00 36.82 40.02 1e0h h ILE 67 CO -0.00 0.43 -0.12 0.58 -1.05 0.00 0.00 178.15 177.99 1e0h h VAL 68 N -0.38 1.19 -0.63 0.16 2.07 -1.66 0.50 116.25 117.50 1e0h h VAL 68 Ca -0.01 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1e0h h VAL 68 Cb 0.78 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1e0h h VAL 68 CO 0.03 0.26 0.23 0.78 0.02 0.00 0.00 177.57 178.89 1e0h h ASN 69 N 0.28 0.86 -0.52 0.57 2.35 -0.39 0.28 115.58 119.01 1e0h h ASN 69 Ca 0.06 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 1e0h h ASN 69 Cb 0.39 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1e0h h ASN 69 CO 0.02 0.78 -0.11 0.74 -1.65 0.00 0.00 177.43 177.22 1e0h h THR 70 N 0.91 1.27 -0.29 2.81 2.02 0.27 0.65 112.91 120.54 1e0h h THR 70 Ca 0.21 -1.26 0.05 0.00 0.77 0.00 0.00 66.41 66.18 1e0h h THR 70 Cb 0.21 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1e0h h THR 70 CO -0.02 0.44 0.02 0.58 0.37 0.00 0.00 175.52 176.92 1e0h h VAL 71 N 0.90 0.81 0.00 3.16 2.07 -1.13 -1.05 116.25 121.00 1e0h h VAL 71 Ca 0.14 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1e0h h VAL 71 Cb 0.67 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1e0h h VAL 71 CO 0.05 0.02 0.00 0.29 0.02 0.00 0.00 177.57 177.95 1e0h n LYS 72 N -5.14 0.00 0.01 1.57 4.01 0.20 0.92 118.16 119.73 1e0h n LYS 72 Ca -0.00 0.02 -0.01 0.00 -0.51 0.00 0.00 58.31 57.81 1e0h n LYS 72 Cb 0.14 -1.50 -0.00 0.00 -0.51 0.00 0.00 35.03 33.16 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 -0.97 0.01 0.05 1.97 6.02 -0.96 -3.85 117.38 119.66 1e0h n GLN 73 Ca 0.00 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1e0h n GLN 73 Cb 0.00 -0.52 -0.01 0.00 1.02 0.00 0.00 30.24 30.73 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 -0.02 -0.14 0.00 1.08 7.01 -0.32 0.14 115.95 123.70 1e0h h TRP 74 Ca -0.01 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1e0h h TRP 74 Cb 0.72 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.83 1e0h h TRP 74 CO -0.00 -0.08 0.24 -2.13 -2.79 0.00 0.00 178.44 173.67 1e0h n ARG 75 N -2.44 0.03 -0.04 2.65 0.63 0.26 0.44 116.66 118.19 1e0h n ARG 75 Ca -0.02 0.40 0.01 0.00 -0.92 0.00 0.00 57.85 57.33 1e0h n ARG 75 Cb 0.06 -1.86 -0.15 0.00 0.45 0.00 0.00 32.46 30.96 1e0h n ARG 75 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1e0h n ALA 76 N -1.40 2.19 -0.04 5.13 0.00 -1.01 0.59 120.51 125.96 1e0h n ALA 76 Ca -0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 53.44 52.44 1e0h n ALA 76 Cb 0.25 -0.56 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.47 1.25 0.52 0.00 0.00 0.47 -2.92 120.51 117.35 1e0h n ALA 77 Ca -0.16 -0.85 0.12 0.00 0.00 0.00 0.00 53.44 52.56 1e0h n ALA 77 Cb 0.83 -0.54 0.45 0.00 0.00 0.00 0.00 19.45 20.20 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 -3.22 0.74 -1.53 0.00 2.85 0.17 -4.93 115.26 109.33 1e0h n ASN 78 Ca -0.31 0.62 -0.16 0.00 -0.11 0.00 0.00 54.58 54.62 1e0h n ASN 78 Cb 1.05 -0.80 -0.04 0.00 1.24 0.00 0.00 39.78 41.24 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 0.66 0.66 0.32 8.20 0.00 -1.10 -4.84 105.19 109.09 1e0h n GLY 79 Ca 0.04 -0.23 0.18 0.00 0.00 0.00 0.00 46.02 46.00 1e0h n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1e0h h LYS 80 N 0.00 0.20 0.00 1.61 1.79 -0.12 -3.46 116.57 116.59 1e0h h LYS 80 Ca -0.36 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1e0h h LYS 80 Cb 1.17 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1e0h h LYS 80 CO 0.47 0.13 0.00 -1.13 -1.08 0.00 0.00 179.45 177.84 1e0h n SER 81 N -5.20 0.00 0.00 0.86 3.41 -1.26 -5.06 113.62 106.37 1e0h n SER 81 Ca 0.26 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1e0h n SER 81 Cb 0.83 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1e0h n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1e0h n GLY 82 N 0.00 0.00 7.00 5.00 0.00 -1.26 -4.92 105.19 111.01 1e0h n GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1e0h n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1e0h n PHE 83 N 0.00 0.00 -3.70 1.61 3.01 -1.25 -4.77 117.46 112.36 1e0h n PHE 83 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.39 1e0h n PHE 83 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 1e0h n PHE 83 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1e0h s LYS 84 N 0.00 1.36 0.08 -1.08 2.20 -1.18 -4.45 119.74 116.66 1e0h s LYS 84 Ca 0.00 -0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 54.91 1e0h s LYS 84 Cb 0.00 0.50 -0.00 0.00 -1.51 0.00 0.00 37.83 36.82 1e0h s LYS 84 CO 0.00 -0.62 -0.02 1.04 -0.36 0.00 0.00 175.35 175.39 1e0h n GLN 85 N -0.42 0.03 0.00 4.03 1.13 -1.26 -3.59 117.38 117.31 1e0h n GLN 85 Ca -0.08 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1e0h n GLN 85 Cb 0.61 -0.53 0.00 0.00 0.11 0.00 0.00 30.24 30.43 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03