#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 1.91 0.00 2.12 0.00 -1.26 -5.11 120.64 118.30 1e0h n GLU 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1e0h n GLU 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1e0h n GLU 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1e0h n LEU 3 N 0.00 0.00 0.00 4.31 4.77 -1.26 -5.06 117.00 119.76 1e0h n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1e0h n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1e0h n LEU 3 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.23 1e0h n LYS 4 N 0.00 -3.26 -0.01 3.23 3.00 -1.26 -4.91 118.16 114.95 1e0h n LYS 4 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 1e0h n LYS 4 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 1e0h n LYS 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1e0h n HIS 5 N 0.37 0.00 -3.73 5.64 8.25 -1.26 -5.01 115.22 119.48 1e0h n HIS 5 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1e0h n HIS 5 Cb 0.00 -0.38 -0.08 0.00 1.12 0.00 0.00 29.99 30.65 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 -3.83 -0.25 0.00 0.41 1.04 -1.26 -5.00 113.70 104.81 1e0h s SER 6 Ca -0.06 0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.58 1e0h s SER 6 Cb 0.09 0.34 0.24 0.00 0.10 0.00 0.00 66.02 66.79 1e0h s SER 6 CO 0.60 -0.47 0.61 0.00 0.98 0.00 0.00 173.24 174.96 1e0h n ILE 7 N 1.22 0.00 -0.12 -1.02 3.06 -1.26 -2.52 119.36 118.72 1e0h n ILE 7 Ca -0.21 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.04 1e0h n ILE 7 Cb 0.56 -0.73 0.00 0.00 0.54 0.00 0.00 39.64 40.01 1e0h n ILE 7 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1e0h n SER 8 N -0.83 0.00 -0.03 9.51 3.41 -1.26 -4.05 113.62 120.38 1e0h n SER 8 Ca 0.03 -0.09 0.14 0.00 -0.26 0.00 0.00 58.87 58.69 1e0h n SER 8 Cb 0.01 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 64.65 1e0h n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1e0h n ASP 9 N 0.00 0.12 -4.42 4.04 9.92 -1.05 -4.45 116.55 120.72 1e0h n ASP 9 Ca 0.00 -0.15 -0.24 0.00 -0.53 0.00 0.00 54.79 53.87 1e0h n ASP 9 Cb 0.02 -0.25 -0.11 0.00 -0.64 0.00 0.00 41.12 40.15 1e0h n ASP 9 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 1e0h s TYR 10 N -2.63 2.16 0.81 1.24 1.13 -1.25 -5.04 117.35 113.77 1e0h s TYR 10 Ca 0.26 -0.39 -0.05 0.00 -1.41 0.00 0.00 57.07 55.48 1e0h s TYR 10 Cb 0.20 -1.01 0.16 0.00 -1.10 0.00 0.00 41.96 40.22 1e0h s TYR 10 CO 0.48 0.54 1.11 0.95 -2.51 0.00 0.00 175.55 176.12 1e0h s THR 11 N -2.20 2.03 -0.14 -3.49 -4.23 -1.26 -3.47 115.64 102.88 1e0h s THR 11 Ca 0.24 -0.45 0.15 0.00 -1.18 0.00 0.00 61.69 60.45 1e0h s THR 11 Cb -0.06 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.21 1e0h s THR 11 CO 0.11 0.00 1.32 -0.08 -0.54 0.00 0.00 174.62 175.43 1e0h h GLU 12 N -0.89 0.00 0.01 3.99 4.81 -1.85 -1.93 114.58 118.71 1e0h h GLU 12 Ca -0.37 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.61 1e0h h GLU 12 Cb 1.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1e0h h GLU 12 CO 0.37 0.48 -1.26 0.00 -0.73 0.00 0.00 179.01 177.86 1e0h h ALA 13 N 1.47 0.46 -0.67 2.92 0.00 -1.93 -2.27 119.26 119.25 1e0h h ALA 13 Ca -0.03 -1.09 0.12 0.00 0.00 0.00 0.00 54.91 53.91 1e0h h ALA 13 Cb 1.43 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 1e0h h ALA 13 CO 0.06 1.33 0.20 1.49 0.00 0.00 0.00 179.25 182.34 1e0h h GLU 14 N 0.01 0.33 0.03 0.00 4.81 -1.89 0.70 114.58 118.57 1e0h h GLU 14 Ca -0.11 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 58.88 1e0h h GLU 14 Cb 1.87 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.16 1e0h h GLU 14 CO 0.12 0.22 -1.00 0.35 -0.73 0.00 0.00 179.01 177.96 1e0h h PHE 15 N 0.34 0.24 -0.84 0.92 3.57 -1.41 -1.45 116.94 118.30 1e0h h PHE 15 Ca 0.36 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1e0h h PHE 15 Cb 0.53 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 1e0h h PHE 15 CO -0.21 1.05 0.54 1.25 -2.23 0.00 0.00 178.31 178.70 1e0h h LEU 16 N 0.06 0.99 -1.17 0.59 5.85 -0.65 0.81 115.31 121.80 1e0h h LEU 16 Ca -0.05 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1e0h h LEU 16 Cb 1.70 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 1e0h h LEU 16 CO 0.15 0.74 0.17 -0.61 -0.34 0.00 0.00 178.44 178.55 1e0h h GLN 17 N 1.15 0.75 -0.20 1.25 4.15 -0.90 -0.56 115.11 120.76 1e0h h GLN 17 Ca 0.31 -0.12 -0.12 0.00 0.77 0.00 0.00 58.65 59.48 1e0h h GLN 17 Cb -0.09 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.47 1e0h h GLN 17 CO -0.06 0.65 -0.34 1.25 -1.93 0.00 0.00 178.83 178.40 1e0h h LEU 18 N 0.74 0.64 -0.74 -2.39 6.46 0.00 0.16 115.31 120.18 1e0h h LEU 18 Ca 0.17 -0.53 -0.07 0.00 -0.12 0.00 0.00 57.88 57.33 1e0h h LEU 18 Cb 0.20 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1e0h h LEU 18 CO -0.01 1.05 0.13 0.58 -0.62 0.00 0.00 178.44 179.57 1e0h h VAL 19 N 0.25 1.26 0.00 1.05 2.07 -0.71 0.97 116.25 121.14 1e0h h VAL 19 Ca 0.01 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1e0h h VAL 19 Cb 0.93 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1e0h h VAL 19 CO 0.08 0.38 0.00 0.74 0.02 0.00 0.00 177.57 178.79 1e0h h THR 20 N 1.03 0.00 0.00 2.57 2.02 -0.86 0.17 112.91 117.84 1e0h h THR 20 Ca 0.21 -0.11 -0.14 0.00 0.77 0.00 0.00 66.41 67.15 1e0h h THR 20 Cb 0.41 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1e0h h THR 20 CO 0.01 0.00 -1.05 0.74 0.37 0.00 0.00 175.52 175.59 1e0h h THR 21 N 0.00 0.63 0.00 3.16 2.02 0.19 -0.01 112.91 118.89 1e0h h THR 21 Ca 0.00 -2.05 -0.03 0.00 0.77 0.00 0.00 66.41 65.10 1e0h h THR 21 Cb 0.13 2.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1e0h h THR 21 CO 0.00 0.36 -0.17 0.40 0.37 0.00 0.00 175.52 176.47 1e0h h ILE 22 N 0.00 1.12 0.00 3.11 2.04 -0.73 0.42 117.51 123.48 1e0h h ILE 22 Ca -0.09 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 63.87 1e0h h ILE 22 Cb 1.49 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1e0h h ILE 22 CO 0.05 0.38 0.00 0.00 0.00 0.00 0.00 178.15 178.58 1e0h n ASN 24 N -1.20 1.33 -3.70 0.00 5.15 -0.02 -4.98 115.26 111.85 1e0h n ASN 24 Ca 0.03 -0.04 -0.25 0.00 -0.60 0.00 0.00 54.58 53.73 1e0h n ASN 24 Cb 0.04 0.53 0.06 0.00 -0.53 0.00 0.00 39.78 39.88 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 -2.77 -1.45 0.25 5.20 0.00 0.14 -4.89 120.51 117.00 1e0h n ALA 25 Ca -0.30 0.23 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1e0h n ALA 25 Cb 1.00 -4.50 0.24 0.00 0.00 0.00 0.00 19.45 16.19 1e0h n ALA 25 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1e0h h ASP 26 N -2.34 0.00 -4.71 0.00 3.58 -1.68 -3.44 116.42 107.82 1e0h h ASP 26 Ca -0.58 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 56.49 1e0h h ASP 26 Cb 1.37 0.00 0.09 0.00 1.72 0.00 0.00 39.33 42.51 1e0h h ASP 26 CO 0.59 0.00 0.17 0.35 -2.88 0.00 0.00 179.24 177.47 1e0h n THR 27 N -2.28 0.00 0.28 2.25 -2.24 -1.26 -4.60 114.28 106.43 1e0h n THR 27 Ca -0.01 -1.18 0.09 0.00 -2.27 0.00 0.00 64.05 60.68 1e0h n THR 27 Cb 0.67 -1.15 0.38 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.78 0.00 -0.56 3.42 4.64 -1.96 -3.44 113.55 114.88 1e0h h SER 28 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1e0h h SER 28 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1e0h h SER 28 CO 0.29 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.05 1e0h n SER 29 N -2.76 -0.37 0.00 4.97 7.64 -1.26 -4.80 113.62 117.04 1e0h n SER 29 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1e0h n SER 29 Cb 0.78 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.18 0.00 0.01 1.43 2.13 -1.26 -4.96 120.64 117.80 1e0h n GLU 30 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1e0h n GLU 30 Cb 0.09 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.79 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 0.16 -0.24 5.31 0.00 -1.26 -2.77 120.64 121.84 1e0h n GLU 31 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 57.16 57.35 1e0h n GLU 31 Cb 0.00 -0.78 0.40 0.00 0.00 0.00 0.00 31.44 31.06 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 -0.30 0.63 0.47 5.31 5.08 -1.93 -0.73 114.58 123.10 1e0h h GLU 32 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1e0h h GLU 32 Cb 0.32 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1e0h h GLU 32 CO -0.00 0.41 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.12 1e0h h LEU 33 N 0.64 -0.56 -2.37 1.33 3.38 -1.94 0.97 115.31 116.76 1e0h h LEU 33 Ca 0.42 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.41 1e0h h LEU 33 Cb 0.71 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1e0h h LEU 33 CO -0.18 -0.39 -0.01 0.58 0.09 0.00 0.00 178.44 178.53 1e0h h VAL 34 N -0.64 0.61 0.20 1.22 2.07 -1.38 0.83 116.25 119.15 1e0h h VAL 34 Ca -0.06 -0.03 -0.35 0.00 0.82 0.00 0.00 66.70 67.08 1e0h h VAL 34 Cb 0.50 1.02 0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1e0h h VAL 34 CO 0.09 0.01 -1.70 0.50 0.02 0.00 0.00 177.57 176.49 1e0h h LYS 35 N 0.00 0.43 -0.10 1.57 3.64 -0.05 -2.04 116.57 120.01 1e0h h LYS 35 Ca -0.00 -0.73 -0.09 0.00 -1.27 0.00 0.00 60.65 58.55 1e0h h LYS 35 Cb 0.02 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1e0h h LYS 35 CO 0.00 1.35 -0.36 -0.07 -2.27 0.00 0.00 179.45 178.10 1e0h h LEU 36 N 0.12 0.22 0.80 5.20 -0.00 0.14 0.38 115.31 122.16 1e0h h LEU 36 Ca -0.33 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 57.44 1e0h h LEU 36 Cb 2.12 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 42.71 1e0h h LEU 36 CO 0.20 0.57 -0.49 0.58 -0.00 0.00 0.00 178.44 179.31 1e0h h VAL 37 N 0.19 0.00 -0.11 1.22 2.07 -0.89 0.15 116.25 118.88 1e0h h VAL 37 Ca 0.02 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.41 1e0h h VAL 37 Cb 0.73 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1e0h h VAL 37 CO 0.06 0.00 -0.50 0.74 0.02 0.00 0.00 177.57 177.88 1e0h h THR 38 N -1.20 1.34 -0.61 2.57 2.02 -0.87 0.13 112.91 116.30 1e0h h THR 38 Ca -0.11 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 1e0h h THR 38 Cb 0.96 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 1e0h h THR 38 CO 0.11 0.52 0.34 -0.74 0.37 0.00 0.00 175.52 176.12 1e0h h HIS 39 N 0.22 0.82 0.04 3.16 6.17 -0.31 0.12 115.15 125.38 1e0h h HIS 39 Ca 0.01 -0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.09 1e0h h HIS 39 Cb 0.97 -0.27 -0.02 0.00 2.52 0.00 0.00 27.41 30.61 1e0h h HIS 39 CO 0.02 0.59 -0.11 0.35 0.71 0.00 0.00 177.93 179.49 1e0h h PHE 40 N 0.82 -0.28 -0.80 5.26 3.04 0.13 0.31 116.94 125.42 1e0h h PHE 40 Ca 0.21 0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.35 1e0h h PHE 40 Cb 0.03 0.12 -0.11 0.00 2.56 0.00 0.00 35.95 38.55 1e0h h PHE 40 CO -0.01 -0.17 0.29 0.93 -2.02 0.00 0.00 178.31 177.33 1e0h h GLU 41 N -0.21 0.36 0.49 1.11 4.39 -0.93 0.68 114.58 120.48 1e0h h GLU 41 Ca 0.03 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1e0h h GLU 41 Cb 0.24 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1e0h h GLU 41 CO -0.08 0.24 -0.23 1.49 -1.16 0.00 0.00 179.01 179.26 1e0h h GLU 42 N 0.37 -0.63 -0.53 2.33 4.57 -0.76 -3.17 114.58 116.77 1e0h h GLU 42 Ca 0.47 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.69 1e0h h GLU 42 Cb 0.80 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.51 1e0h h GLU 42 CO -0.49 -0.32 0.31 1.98 -1.18 0.00 0.00 179.01 179.31 1e0h h MET 43 N -0.93 0.71 -0.00 1.92 4.05 0.20 -2.68 114.93 118.20 1e0h h MET 43 Ca -0.07 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1e0h h MET 43 Cb 0.59 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1e0h h MET 43 CO 0.11 0.50 0.00 -2.37 0.23 0.00 0.00 176.91 175.38 1e0h n THR 44 N -4.42 0.08 -4.21 -0.77 5.66 -1.04 -4.17 114.28 105.40 1e0h n THR 44 Ca 0.05 -0.54 -0.36 0.00 -3.05 0.00 0.00 64.05 60.14 1e0h n THR 44 Cb 0.08 0.98 -0.03 0.00 -1.55 0.00 0.00 70.33 69.81 1e0h n THR 44 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1e0h n GLU 45 N 0.02 -3.04 -3.13 1.09 2.13 -1.01 -4.89 120.64 111.81 1e0h n GLU 45 Ca 0.01 0.36 -0.39 0.00 0.66 0.00 0.00 57.16 57.80 1e0h n GLU 45 Cb 0.04 -5.09 -0.05 0.00 0.27 0.00 0.00 31.44 26.61 1e0h n GLU 45 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1e0h s HIS 46 N -3.26 3.72 0.12 4.31 2.46 -1.24 -4.99 115.29 116.40 1e0h s HIS 46 Ca 0.75 1.31 -0.23 0.00 0.47 0.00 0.00 55.06 57.35 1e0h s HIS 46 Cb -0.41 -2.68 -0.05 0.00 -0.13 0.00 0.00 32.58 29.31 1e0h s HIS 46 CO 0.92 0.34 1.20 -2.30 -2.47 0.00 0.00 174.74 172.44 1e0h n PRO 47 N 2.66 -0.33 -1.04 2.88 -0.02 -1.26 -3.70 135.00 134.19 1e0h n PRO 47 Ca -0.06 1.18 -0.08 0.00 -2.02 0.00 0.00 63.50 62.52 1e0h n PRO 47 Cb 0.51 -1.74 0.29 0.00 -0.02 0.00 0.00 33.50 32.53 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 -4.86 4.70 0.00 2.55 7.64 -1.26 -4.89 113.62 117.49 1e0h n SER 48 Ca 0.02 -3.24 0.00 0.00 1.01 0.00 0.00 58.87 56.66 1e0h n SER 48 Cb 0.20 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 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 -0.24 -0.49 0.00 0.23 0.00 -1.24 0.84 105.19 104.29 1e0h n GLY 49 Ca 0.43 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.60 1e0h n GLY 49 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1e0h n SER 50 N -1.74 0.00 0.00 1.61 2.88 -1.26 -1.76 113.62 113.34 1e0h n SER 50 Ca 0.00 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1e0h n SER 50 Cb 0.00 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1e0h n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1e0h n ASP 51 N -1.05 0.09 -0.61 -3.46 9.92 0.16 -1.47 116.55 120.13 1e0h n ASP 51 Ca 0.07 -0.93 0.06 0.00 -0.53 0.00 0.00 54.79 53.46 1e0h n ASP 51 Cb 0.04 0.01 0.17 0.00 -0.64 0.00 0.00 41.12 40.70 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 -0.01 2.34 0.00 0.64 -0.00 0.25 -2.97 117.00 117.25 1e0h n LEU 52 Ca 0.00 -3.42 0.00 0.00 -0.00 0.00 0.00 56.01 52.59 1e0h n LEU 52 Cb 0.21 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 1e0h n LEU 52 CO 0.00 1.12 -0.25 -0.38 -0.00 0.00 0.00 177.39 177.89 1e0h n ILE 53 N -0.94 0.00 -0.00 1.47 2.08 -0.94 -4.70 119.36 116.33 1e0h n ILE 53 Ca 0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.47 1e0h n ILE 53 Cb 0.74 -0.40 0.00 0.00 -0.75 0.00 0.00 39.64 39.22 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 -2.15 0.00 1.55 1.39 4.01 -1.15 -4.91 117.16 115.90 1e0h n TYR 54 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 1e0h n TYR 54 Cb 0.25 0.00 0.56 0.00 -0.31 0.00 0.00 39.34 39.84 1e0h n TYR 54 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1e0h n TYR 55 N 0.00 0.05 0.00 -0.72 9.36 -0.54 -4.86 117.16 120.44 1e0h n TYR 55 Ca 0.00 -0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1e0h n TYR 55 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1e0h n TYR 55 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1e0h n PRO 56 N -0.06 1.13 0.00 2.98 -0.04 -1.16 -4.85 135.00 133.01 1e0h n PRO 56 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1e0h n PRO 56 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 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 0.00 0.00 0.00 0.54 4.81 -0.97 -4.96 118.16 117.58 1e0h n LYS 57 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 1e0h n LYS 57 Cb 0.00 0.00 0.31 0.00 0.02 0.00 0.00 35.03 35.36 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 -0.25 0.60 -0.24 1.64 4.07 -1.26 -3.53 120.64 121.66 1e0h n GLU 58 Ca 0.00 -0.36 0.00 0.00 -0.06 0.00 0.00 57.16 56.74 1e0h n GLU 58 Cb 0.00 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.89 1e0h n GLU 58 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1e0h n GLY 59 N 1.39 0.66 2.81 8.31 0.00 -1.26 -5.13 105.19 111.97 1e0h n GLY 59 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 2.70 -0.55 1.61 1.01 -1.23 -5.07 116.67 115.13 1e0h s ASP 60 Ca 0.00 -0.65 -0.26 0.00 0.71 0.00 0.00 52.55 52.35 1e0h s ASP 60 Cb 0.00 -0.72 -0.09 0.00 1.01 0.00 0.00 42.92 43.12 1e0h s ASP 60 CO 0.00 -0.24 2.44 -0.67 0.21 0.00 0.00 175.17 176.92 1e0h n ASP 61 N 4.98 2.10 0.00 0.27 2.03 -1.26 -2.29 116.55 122.37 1e0h n ASP 61 Ca -0.10 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.71 1e0h n ASP 61 Cb 0.48 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 1e0h n ASP 61 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1e0h n ASP 62 N 15.59 0.00 0.00 1.67 5.75 -1.26 -2.94 116.55 135.35 1e0h n ASP 62 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 1e0h n ASP 62 Cb 0.50 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1e0h n ASP 62 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1e0h n SER 63 N -2.22 0.00 -1.09 -1.12 7.64 -1.26 0.34 113.62 115.90 1e0h n SER 63 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1e0h n SER 63 Cb 0.00 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.46 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 8.83 2.40 0.08 1.43 -0.04 -1.26 -4.64 135.00 141.80 1e0h n PRO 64 Ca 0.00 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1e0h n PRO 64 Cb 0.00 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 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 1.20 0.46 -0.29 3.54 3.41 -0.56 -4.03 113.62 117.35 1e0h n SER 65 Ca 0.20 0.24 0.26 0.00 -0.26 0.00 0.00 58.87 59.31 1e0h n SER 65 Cb 0.51 -0.01 0.59 0.00 -0.26 0.00 0.00 64.21 65.04 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 0.72 0.84 5.00 0.00 -0.83 0.39 103.07 109.19 1e0h h GLY 66 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1e0h h GLY 66 CO 0.00 -0.07 -0.11 0.16 0.00 0.00 0.00 176.54 176.53 1e0h h ILE 67 N 0.25 1.30 -0.13 2.60 3.07 0.01 0.54 117.51 125.16 1e0h h ILE 67 Ca 0.54 -1.17 -0.07 0.00 1.55 0.00 0.00 64.86 65.71 1e0h h ILE 67 Cb 1.64 1.57 -0.01 0.00 -0.27 0.00 0.00 36.82 39.75 1e0h h ILE 67 CO -0.17 0.36 -0.22 0.58 -1.05 0.00 0.00 178.15 177.65 1e0h h VAL 68 N 0.21 1.22 0.00 0.16 2.07 -1.60 0.14 116.25 118.45 1e0h h VAL 68 Ca 0.05 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1e0h h VAL 68 Cb 0.60 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1e0h h VAL 68 CO 0.03 0.30 -0.08 0.78 0.02 0.00 0.00 177.57 178.62 1e0h h ASN 69 N 0.20 0.00 -0.16 0.57 2.35 0.33 0.56 115.58 119.43 1e0h h ASN 69 Ca 0.03 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.56 1e0h h ASN 69 Cb 0.50 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.88 1e0h h ASN 69 CO 0.03 0.08 -0.76 0.74 -1.65 0.00 0.00 177.43 175.88 1e0h h THR 70 N 0.00 1.28 -0.47 2.81 2.02 0.29 -0.51 112.91 118.33 1e0h h THR 70 Ca -0.00 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.23 1e0h h THR 70 Cb 0.15 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1e0h h THR 70 CO 0.01 0.62 0.31 0.58 0.37 0.00 0.00 175.52 177.41 1e0h h VAL 71 N 0.55 1.13 0.00 3.16 2.07 -1.32 -0.11 116.25 121.72 1e0h h VAL 71 Ca -0.05 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1e0h h VAL 71 Cb 1.39 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1e0h h VAL 71 CO 0.16 0.12 0.00 0.29 0.02 0.00 0.00 177.57 178.16 1e0h n LYS 72 N -4.75 0.07 0.00 1.57 4.01 0.17 0.64 118.16 119.88 1e0h n LYS 72 Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 1e0h n LYS 72 Cb 0.03 -1.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 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 -0.94 0.00 0.27 1.97 6.02 -0.93 -4.02 117.38 119.75 1e0h n GLN 73 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.90 1e0h n GLN 73 Cb 0.01 -0.46 -0.05 0.00 1.02 0.00 0.00 30.24 30.75 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 -0.63 0.00 1.08 7.01 -0.62 0.13 115.95 122.93 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 0.90 0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.17 1e0h h TRP 74 CO 0.00 -0.39 0.15 -0.09 -2.79 0.00 0.00 178.44 175.32 1e0h h ARG 75 N -0.70 0.00 0.00 2.65 2.43 -0.02 0.44 114.38 119.18 1e0h h ARG 75 Ca -0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1e0h h ARG 75 Cb 0.52 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1e0h h ARG 75 CO 0.11 0.00 -1.86 0.00 -1.51 0.00 0.00 179.97 176.71 1e0h n ALA 76 N -1.72 2.73 -0.08 2.80 0.00 -1.05 0.69 120.51 123.87 1e0h n ALA 76 Ca -0.01 -0.50 -0.15 0.00 0.00 0.00 0.00 53.44 52.78 1e0h n ALA 76 Cb 0.18 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.26 1.37 0.29 0.00 0.00 0.44 -3.26 120.51 117.09 1e0h n ALA 77 Ca -0.04 -1.03 0.15 0.00 0.00 0.00 0.00 53.44 52.52 1e0h n ALA 77 Cb 0.58 -0.35 0.51 0.00 0.00 0.00 0.00 19.45 20.20 1e0h n ALA 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1e0h h ASN 78 N 0.01 0.00 -2.47 0.00 -0.73 -0.41 -3.48 115.58 108.51 1e0h h ASN 78 Ca -0.50 0.00 -0.38 0.00 1.87 0.00 0.00 56.30 57.29 1e0h h ASN 78 Cb 2.05 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 40.61 1e0h h ASN 78 CO 0.01 0.00 -0.47 0.61 -0.37 0.00 0.00 177.43 177.21 1e0h n GLY 79 N 0.39 -0.12 0.31 1.57 0.00 -0.89 -4.85 105.19 101.60 1e0h n GLY 79 Ca 0.02 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 0.03 -2.72 1.61 1.79 0.00 -3.45 116.57 113.83 1e0h h LYS 80 Ca -0.44 -0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.13 1e0h h LYS 80 Cb 1.32 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.91 1e0h h LYS 80 CO 0.54 0.02 0.36 -1.54 -1.08 0.00 0.00 179.45 177.75 1e0h s SER 81 N -5.18 -0.17 0.00 0.86 1.04 -1.26 -5.09 113.70 103.90 1e0h s SER 81 Ca -0.14 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1e0h s SER 81 Cb 0.25 0.64 0.00 0.00 0.10 0.00 0.00 66.02 67.01 1e0h s SER 81 CO 0.76 -1.21 0.70 0.61 0.98 0.00 0.00 173.24 175.09 1e0h n GLY 82 N -0.50 -1.09 6.64 7.32 0.00 -1.26 -4.89 105.19 111.41 1e0h n GLY 82 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.54 1.61 3.01 -1.26 -4.74 117.46 112.54 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 0.59 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.04 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 0.64 0.02 -1.08 2.20 -1.23 -4.39 119.74 115.90 1e0h s LYS 84 Ca 0.00 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1e0h s LYS 84 Cb 0.00 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 1e0h s LYS 84 CO 0.00 -0.28 0.00 1.04 -0.36 0.00 0.00 175.35 175.75 1e0h n GLN 85 N -0.19 0.00 0.00 4.03 1.13 -1.26 -2.94 117.38 118.15 1e0h n GLN 85 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1e0h n GLN 85 Cb 0.60 -0.39 0.00 0.00 0.11 0.00 0.00 30.24 30.57 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03