#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 0.00 3.17 -0.00 -1.26 -5.11 120.64 117.44 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 -0.49 0.00 0.00 -0.00 0.00 0.00 31.44 30.95 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 -0.42 0.00 -4.33 -1.84 4.77 -1.26 -5.13 117.00 108.79 1e0h n LEU 3 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1e0h n LEU 3 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1e0h n LEU 3 CO 0.00 0.00 -0.15 -0.54 -1.33 0.00 0.00 177.39 175.37 1e0h s LYS 4 N -1.21 1.70 0.22 3.23 3.01 -1.26 -5.02 119.74 120.40 1e0h s LYS 4 Ca 0.00 -1.99 0.18 0.00 -1.01 0.00 0.00 55.97 53.15 1e0h s LYS 4 Cb 0.00 0.08 0.02 0.00 -1.01 0.00 0.00 37.83 36.92 1e0h s LYS 4 CO 0.00 -0.56 1.21 0.45 0.51 0.00 0.00 175.35 176.96 1e0h h HIS 5 N 2.14 0.00 -3.85 3.18 3.86 -2.01 -3.48 115.15 114.99 1e0h h HIS 5 Ca -0.29 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.77 1e0h h HIS 5 Cb 1.24 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.53 1e0h h HIS 5 CO 1.41 0.39 -0.59 -1.12 0.86 0.00 0.00 177.93 178.89 1e0h s SER 6 N -6.05 0.20 0.00 2.45 0.01 -1.26 -4.99 113.70 104.06 1e0h s SER 6 Ca 0.01 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.79 1e0h s SER 6 Cb 0.08 0.18 0.17 0.00 0.21 0.00 0.00 66.02 66.66 1e0h s SER 6 CO 0.76 -0.43 0.70 0.00 0.41 0.00 0.00 173.24 174.68 1e0h n ILE 7 N 1.06 0.19 0.00 1.44 3.06 -1.26 -2.91 119.36 120.94 1e0h n ILE 7 Ca -0.21 0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.09 1e0h n ILE 7 Cb 0.57 -1.00 0.00 0.00 0.54 0.00 0.00 39.64 39.75 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 -1.05 0.19 0.00 9.51 2.88 -1.26 -4.04 113.62 119.85 1e0h n SER 8 Ca 0.02 -0.13 0.13 0.00 -1.33 0.00 0.00 58.87 57.55 1e0h n SER 8 Cb 0.01 0.30 0.58 0.00 -0.75 0.00 0.00 64.21 64.36 1e0h n SER 8 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1e0h n ASP 9 N -0.32 0.00 -4.40 -3.46 9.92 -1.15 -4.31 116.55 112.83 1e0h n ASP 9 Ca 0.00 0.32 -0.25 0.00 -0.53 0.00 0.00 54.79 54.34 1e0h n ASP 9 Cb 0.00 -0.44 -0.11 0.00 -0.64 0.00 0.00 41.12 39.93 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 -2.87 2.16 0.82 1.24 1.13 -1.25 -5.03 117.35 113.55 1e0h s TYR 10 Ca 0.16 -0.39 -0.10 0.00 -1.41 0.00 0.00 57.07 55.33 1e0h s TYR 10 Cb 0.17 -1.05 0.12 0.00 -1.10 0.00 0.00 41.96 40.10 1e0h s TYR 10 CO 0.45 0.48 1.16 0.95 -2.51 0.00 0.00 175.55 176.08 1e0h s THR 11 N -1.91 2.10 0.31 -3.49 -4.23 -1.26 -3.44 115.64 103.71 1e0h s THR 11 Ca 0.21 -0.16 0.14 0.00 -1.18 0.00 0.00 61.69 60.70 1e0h s THR 11 Cb -0.07 -2.94 0.07 0.00 1.34 0.00 0.00 72.50 70.90 1e0h s THR 11 CO 0.10 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 175.85 1e0h h GLU 12 N -1.07 0.00 -0.02 3.99 4.81 -1.87 -0.79 114.58 119.63 1e0h h GLU 12 Ca -0.44 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.58 1e0h h GLU 12 Cb 1.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1e0h h GLU 12 CO 0.51 0.44 -0.87 0.00 -0.73 0.00 0.00 179.01 178.36 1e0h h ALA 13 N 1.56 0.44 -0.87 2.92 0.00 -1.90 0.41 119.26 121.83 1e0h h ALA 13 Ca -0.00 -0.68 0.06 0.00 0.00 0.00 0.00 54.91 54.28 1e0h h ALA 13 Cb 0.82 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1e0h h ALA 13 CO 0.06 0.81 0.54 1.49 0.00 0.00 0.00 179.25 182.15 1e0h h GLU 14 N 0.23 0.98 0.02 0.00 4.81 -1.78 -0.23 114.58 118.62 1e0h h GLU 14 Ca -0.06 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 58.88 1e0h h GLU 14 Cb 1.49 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1e0h h GLU 14 CO 0.15 0.65 -1.11 0.35 -0.73 0.00 0.00 179.01 178.32 1e0h h PHE 15 N 1.01 0.08 -0.58 0.92 3.57 -1.13 -2.40 116.94 118.41 1e0h h PHE 15 Ca 0.37 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.75 1e0h h PHE 15 Cb 0.14 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1e0h h PHE 15 CO -0.03 1.05 0.08 1.25 -2.23 0.00 0.00 178.31 178.43 1e0h h LEU 16 N 0.01 0.89 -1.06 0.59 5.85 -0.28 0.16 115.31 121.47 1e0h h LEU 16 Ca -0.06 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1e0h h LEU 16 Cb 1.82 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 1e0h h LEU 16 CO 0.14 0.90 0.23 -0.61 -0.34 0.00 0.00 178.44 178.76 1e0h h GLN 17 N 0.88 0.90 -0.12 1.25 4.15 -1.11 -1.54 115.11 119.51 1e0h h GLN 17 Ca 0.18 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1e0h h GLN 17 Cb 0.41 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 1e0h h GLN 17 CO 0.01 0.75 -0.04 1.25 -1.93 0.00 0.00 178.83 178.87 1e0h h LEU 18 N 0.88 0.25 -0.68 -2.39 7.12 -0.56 0.35 115.31 120.28 1e0h h LEU 18 Ca 0.21 -0.38 0.07 0.00 0.13 0.00 0.00 57.88 57.90 1e0h h LEU 18 Cb 0.19 -0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.20 1e0h h LEU 18 CO -0.02 0.57 0.37 0.58 -0.13 0.00 0.00 178.44 179.81 1e0h h VAL 19 N -0.08 0.94 -0.02 1.05 2.07 -0.94 0.38 116.25 119.66 1e0h h VAL 19 Ca 0.03 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1e0h h VAL 19 Cb 0.47 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1e0h h VAL 19 CO 0.01 0.12 -0.09 0.74 0.02 0.00 0.00 177.57 178.38 1e0h h THR 20 N 0.67 1.08 0.00 2.57 2.02 -0.94 0.16 112.91 118.47 1e0h h THR 20 Ca 0.31 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 1e0h h THR 20 Cb 0.22 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1e0h h THR 20 CO -0.20 0.10 -0.36 0.74 0.37 0.00 0.00 175.52 176.17 1e0h h THR 21 N 0.03 0.90 0.01 3.16 2.02 0.19 0.19 112.91 119.40 1e0h h THR 21 Ca 0.01 -1.44 -0.12 0.00 0.77 0.00 0.00 66.41 65.62 1e0h h THR 21 Cb 0.17 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1e0h h THR 21 CO 0.01 0.35 -0.66 0.40 0.37 0.00 0.00 175.52 175.99 1e0h h ILE 22 N 0.00 1.36 0.00 3.11 2.04 -0.58 0.38 117.51 123.83 1e0h h ILE 22 Ca -0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 1e0h h ILE 22 Cb 0.84 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 1e0h h ILE 22 CO 0.05 0.50 0.03 0.00 0.00 0.00 0.00 178.15 178.72 1e0h n ASN 24 N -1.94 0.90 -3.87 0.00 5.15 0.65 -5.00 115.26 111.15 1e0h n ASN 24 Ca -0.01 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.69 1e0h n ASN 24 Cb 0.05 1.06 0.02 0.00 -0.53 0.00 0.00 39.78 40.37 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 -2.54 -1.52 0.07 5.20 0.00 0.13 -4.87 120.51 116.98 1e0h n ALA 25 Ca -0.23 0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.30 1e0h n ALA 25 Cb 0.95 -3.59 0.13 0.00 0.00 0.00 0.00 19.45 16.94 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 -2.90 0.13 -2.58 0.00 2.03 -0.85 -4.77 116.55 107.61 1e0h n ASP 26 Ca -0.07 0.36 -0.06 0.00 0.52 0.00 0.00 54.79 55.55 1e0h n ASP 26 Cb 0.57 -0.32 0.03 0.00 -0.72 0.00 0.00 41.12 40.68 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 -1.58 0.00 -0.08 5.18 -2.24 -1.26 -4.94 114.28 109.36 1e0h n THR 27 Ca -0.00 -0.36 0.26 0.00 -2.27 0.00 0.00 64.05 61.68 1e0h n THR 27 Cb 0.32 -1.33 0.71 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.17 0.00 0.00 3.42 4.64 -1.95 -3.45 113.55 116.05 1e0h h SER 28 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1e0h h SER 28 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1e0h h SER 28 CO 0.08 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.50 1e0h n SER 29 N -3.96 0.00 0.00 4.97 3.41 -1.26 -4.87 113.62 111.91 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 0.88 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1e0h n SER 29 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1e0h n GLU 30 N 0.00 0.00 -0.01 4.33 2.13 -1.26 -4.91 120.64 120.92 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 0.00 -0.02 -0.01 0.00 0.27 0.00 0.00 31.44 31.68 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 -0.30 5.31 2.13 -1.26 -2.49 120.64 124.18 1e0h n GLU 31 Ca 0.00 0.06 0.23 0.00 0.66 0.00 0.00 57.16 58.11 1e0h n GLU 31 Cb 0.21 -0.67 0.53 0.00 0.27 0.00 0.00 31.44 31.78 1e0h n GLU 31 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1e0h h GLU 32 N -0.29 0.36 0.82 5.31 5.08 -1.95 0.13 114.58 124.03 1e0h h GLU 32 Ca 0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1e0h h GLU 32 Cb 0.29 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1e0h h GLU 32 CO 0.00 0.24 -0.44 -0.07 -1.00 0.00 0.00 179.01 177.73 1e0h h LEU 33 N 0.37 -1.09 -2.01 1.33 3.38 -1.91 0.87 115.31 116.25 1e0h h LEU 33 Ca 0.56 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.68 1e0h h LEU 33 Cb 1.47 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 1e0h h LEU 33 CO -0.24 -0.72 0.26 0.58 0.09 0.00 0.00 178.44 178.41 1e0h h VAL 34 N -1.16 0.81 0.11 1.22 2.07 -1.09 0.24 116.25 118.45 1e0h h VAL 34 Ca -0.11 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.13 1e0h h VAL 34 Cb 0.91 0.82 0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1e0h h VAL 34 CO 0.15 0.00 -1.20 0.50 0.02 0.00 0.00 177.57 177.04 1e0h h LYS 35 N 0.00 0.41 -0.00 1.57 3.64 -0.16 -1.22 116.57 120.80 1e0h h LYS 35 Ca 0.17 -0.60 -0.18 0.00 -1.27 0.00 0.00 60.65 58.77 1e0h h LYS 35 Cb 0.68 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1e0h h LYS 35 CO -0.00 1.26 -0.82 -0.07 -2.27 0.00 0.00 179.45 177.54 1e0h h LEU 36 N 0.16 0.17 0.51 5.20 3.38 0.17 0.53 115.31 125.43 1e0h h LEU 36 Ca -0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1e0h h LEU 36 Cb 1.89 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1e0h h LEU 36 CO 0.21 0.91 -0.27 0.58 0.09 0.00 0.00 178.44 179.96 1e0h h VAL 37 N 0.08 0.44 0.00 1.22 2.07 -0.52 -1.60 116.25 117.95 1e0h h VAL 37 Ca -0.03 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 1e0h h VAL 37 Cb 1.43 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1e0h h VAL 37 CO 0.12 0.00 -0.58 0.74 0.02 0.00 0.00 177.57 177.87 1e0h h THR 38 N -0.73 1.19 -0.49 2.57 2.02 -1.10 -2.16 112.91 114.21 1e0h h THR 38 Ca -0.07 -2.15 -0.08 0.00 0.77 0.00 0.00 66.41 64.88 1e0h h THR 38 Cb 0.57 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 1e0h h THR 38 CO 0.10 0.57 -0.02 -0.74 0.37 0.00 0.00 175.52 175.79 1e0h h HIS 39 N 0.00 0.90 -0.33 3.16 6.17 0.17 0.13 115.15 125.35 1e0h h HIS 39 Ca -0.01 -0.14 0.03 0.00 0.71 0.00 0.00 60.37 60.97 1e0h h HIS 39 Cb 1.19 -0.24 -0.03 0.00 2.52 0.00 0.00 27.41 30.85 1e0h h HIS 39 CO 0.00 0.83 0.12 0.35 0.71 0.00 0.00 177.93 179.95 1e0h h PHE 40 N 0.77 0.23 0.00 5.26 3.04 -0.64 0.99 116.94 126.59 1e0h h PHE 40 Ca 0.14 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1e0h h PHE 40 Cb 0.50 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.96 1e0h h PHE 40 CO 0.03 0.10 0.00 0.93 -2.02 0.00 0.00 178.31 177.35 1e0h h GLU 41 N 0.27 0.00 0.00 1.11 4.39 -1.00 -1.23 114.58 118.12 1e0h h GLU 41 Ca 0.15 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 1e0h h GLU 41 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1e0h h GLU 41 CO -0.14 0.00 -0.16 1.49 -1.16 0.00 0.00 179.01 179.03 1e0h h GLU 42 N 0.00 0.00 -0.32 2.33 4.81 0.15 -3.37 114.58 118.18 1e0h h GLU 42 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1e0h h GLU 42 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1e0h h GLU 42 CO 0.00 0.87 -0.01 0.52 -0.73 0.00 0.00 179.01 179.66 1e0h h MET 43 N -1.00 0.57 -0.00 1.92 2.86 0.40 -3.32 114.93 116.36 1e0h h MET 43 Ca -0.04 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1e0h h MET 43 Cb 0.91 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1e0h h MET 43 CO -0.03 0.71 -0.08 -2.37 1.06 0.00 0.00 176.91 176.21 1e0h n THR 44 N -4.53 0.00 -4.19 2.22 5.66 -1.10 -4.28 114.28 108.07 1e0h n THR 44 Ca -0.02 -0.46 -0.34 0.00 -3.05 0.00 0.00 64.05 60.17 1e0h n THR 44 Cb 0.27 1.05 -0.03 0.00 -1.55 0.00 0.00 70.33 70.08 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 -0.31 -2.99 -3.24 1.09 2.13 -1.25 -4.91 120.64 111.17 1e0h n GLU 45 Ca 0.02 0.36 -0.39 0.00 0.66 0.00 0.00 57.16 57.81 1e0h n GLU 45 Cb 0.09 -4.89 -0.06 0.00 0.27 0.00 0.00 31.44 26.85 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 -3.48 3.81 0.18 4.31 2.46 -1.26 -5.01 115.29 116.30 1e0h s HIS 46 Ca 0.56 1.31 -0.26 0.00 0.47 0.00 0.00 55.06 57.14 1e0h s HIS 46 Cb -0.31 -2.53 0.03 0.00 -0.13 0.00 0.00 32.58 29.65 1e0h s HIS 46 CO 0.93 0.58 1.55 -1.35 -2.47 0.00 0.00 174.74 173.97 1e0h h PRO 47 N 4.48 -0.04 -0.91 2.88 0.11 -1.99 -3.35 132.00 133.19 1e0h h PRO 47 Ca -0.49 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.09 1e0h h PRO 47 Cb 1.21 0.01 -0.28 0.00 0.11 0.00 0.00 31.00 32.05 1e0h h PRO 47 CO 0.64 -0.02 0.56 0.43 -0.21 0.00 0.00 178.00 179.40 1e0h n SER 48 N -5.34 4.94 -0.05 -2.05 7.64 -1.26 -4.90 113.62 112.60 1e0h n SER 48 Ca 0.04 -3.70 -0.01 0.00 1.01 0.00 0.00 58.87 56.21 1e0h n SER 48 Cb 0.31 -0.84 -0.01 0.00 -1.01 0.00 0.00 64.21 62.67 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 -1.05 -1.32 0.00 0.23 0.00 -1.26 0.97 105.19 102.77 1e0h n GLY 49 Ca 0.57 0.33 0.05 0.00 0.00 0.00 0.00 46.02 46.98 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 -3.04 0.00 0.00 1.61 3.41 -1.26 -2.67 113.62 111.68 1e0h n SER 50 Ca 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1e0h n SER 50 Cb 0.03 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.16 0.07 -0.57 4.04 9.92 0.14 -2.07 116.55 126.93 1e0h n ASP 51 Ca 0.06 -1.00 0.06 0.00 -0.53 0.00 0.00 54.79 53.39 1e0h n ASP 51 Cb 0.06 0.00 0.19 0.00 -0.64 0.00 0.00 41.12 40.73 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 2.54 0.00 0.64 -0.00 0.27 -3.58 117.00 116.87 1e0h n LEU 52 Ca 0.00 -3.65 0.00 0.00 -0.00 0.00 0.00 56.01 52.36 1e0h n LEU 52 Cb 0.23 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 1e0h n LEU 52 CO 0.00 1.24 -0.20 -0.38 -0.00 0.00 0.00 177.39 178.05 1e0h n ILE 53 N -1.07 0.00 0.00 1.47 2.08 -1.14 -4.67 119.36 116.03 1e0h n ILE 53 Ca 0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.49 1e0h n ILE 53 Cb 0.71 -0.56 0.00 0.00 -0.75 0.00 0.00 39.64 39.04 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 -2.31 0.00 0.15 1.39 4.01 -1.12 -4.83 117.16 114.45 1e0h n TYR 54 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1e0h n TYR 54 Cb 0.20 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.09 -3.36 -0.72 3.20 -1.67 -3.45 116.97 111.05 1e0h h TYR 55 Ca 0.00 -0.02 -0.52 0.00 3.14 0.00 0.00 58.73 61.32 1e0h h TYR 55 Cb 0.01 -0.02 0.04 0.00 1.54 0.00 0.00 36.73 38.30 1e0h h TYR 55 CO 0.00 0.51 0.69 -1.25 -1.64 0.00 0.00 178.16 176.47 1e0h s PRO 56 N -4.03 4.35 0.00 1.82 0.04 -1.23 -4.54 135.00 131.41 1e0h s PRO 56 Ca -0.03 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1e0h s PRO 56 Cb 0.14 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1e0h s PRO 56 CO 0.75 -0.31 0.00 1.17 0.04 0.00 0.00 177.00 178.65 1e0h n LYS 57 N 2.62 0.00 0.00 4.56 4.81 -1.26 -4.75 118.16 124.14 1e0h n LYS 57 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1e0h n LYS 57 Cb 0.42 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.47 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 0.00 0.47 0.00 1.64 4.07 -1.26 -4.16 120.64 121.39 1e0h n GLU 58 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1e0h n GLU 58 Cb 0.00 -1.02 0.00 0.00 -0.06 0.00 0.00 31.44 30.36 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 -0.01 0.92 3.29 8.31 0.00 -1.26 -5.11 105.19 111.34 1e0h n GLY 59 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.13 -1.23 -0.85 1.61 1.01 -1.26 -5.01 116.67 108.82 1e0h s ASP 60 Ca 0.00 0.78 -0.08 0.00 0.71 0.00 0.00 52.55 53.96 1e0h s ASP 60 Cb 0.00 -1.08 0.22 0.00 1.01 0.00 0.00 42.92 43.07 1e0h s ASP 60 CO 0.00 -5.46 0.76 -0.62 0.21 0.00 0.00 175.17 170.06 1e0h s ASP 61 N -3.24 6.37 0.00 0.27 2.15 -1.26 -4.84 116.67 116.11 1e0h s ASP 61 Ca 0.69 -3.10 0.00 0.00 0.43 0.00 0.00 52.55 50.57 1e0h s ASP 61 Cb -0.12 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1e0h s ASP 61 CO 0.57 -0.40 0.00 -0.90 -0.17 0.00 0.00 175.17 174.27 1e0h n ASP 62 N 3.30 0.00 0.00 -0.34 5.75 -1.26 -2.91 116.55 121.10 1e0h n ASP 62 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1e0h n ASP 62 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.00 -0.28 0.00 -1.12 7.64 -1.26 0.48 113.62 119.08 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 0.88 0.00 -1.01 0.00 0.00 64.21 64.08 1e0h n SER 63 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1e0h n PRO 64 N 0.00 0.97 0.05 1.43 -0.02 -1.26 -4.40 135.00 131.78 1e0h n PRO 64 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1e0h n PRO 64 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1e0h n PRO 64 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1e0h n SER 65 N -0.98 0.45 -0.21 2.55 3.41 -0.80 -4.36 113.62 113.68 1e0h n SER 65 Ca 0.22 0.17 0.31 0.00 -0.26 0.00 0.00 58.87 59.31 1e0h n SER 65 Cb 0.10 -0.06 0.73 0.00 -0.26 0.00 0.00 64.21 64.72 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 0.99 5.00 0.00 -0.38 0.20 103.07 108.88 1e0h h GLY 66 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1e0h h GLY 66 CO 0.00 0.00 -0.54 0.16 0.00 0.00 0.00 176.54 176.16 1e0h h ILE 67 N 0.00 1.32 -0.52 2.60 3.07 0.16 0.83 117.51 124.98 1e0h h ILE 67 Ca 0.46 -1.79 -0.07 0.00 1.55 0.00 0.00 64.86 65.01 1e0h h ILE 67 Cb 1.94 1.99 -0.02 0.00 -0.27 0.00 0.00 36.82 40.45 1e0h h ILE 67 CO -0.00 0.55 0.03 0.58 -1.05 0.00 0.00 178.15 178.25 1e0h h VAL 68 N 0.33 1.25 -0.59 0.16 2.07 -1.62 0.68 116.25 118.52 1e0h h VAL 68 Ca -0.02 -1.01 0.08 0.00 0.82 0.00 0.00 66.70 66.57 1e0h h VAL 68 Cb 1.16 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1e0h h VAL 68 CO 0.11 0.36 0.39 0.78 0.02 0.00 0.00 177.57 179.24 1e0h h ASN 69 N 0.81 0.42 -0.27 0.57 4.21 -0.38 0.76 115.58 121.69 1e0h h ASN 69 Ca 0.16 0.01 -0.18 0.00 1.21 0.00 0.00 56.30 57.50 1e0h h ASN 69 Cb 0.45 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 1e0h h ASN 69 CO 0.02 0.26 -0.52 0.74 -1.29 0.00 0.00 177.43 176.64 1e0h h THR 70 N 0.47 1.28 -0.53 2.81 2.02 0.30 0.27 112.91 119.54 1e0h h THR 70 Ca 0.26 -1.71 0.07 0.00 0.77 0.00 0.00 66.41 65.81 1e0h h THR 70 Cb 0.43 1.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.45 1e0h h THR 70 CO -0.08 0.55 0.19 0.58 0.37 0.00 0.00 175.52 177.14 1e0h h VAL 71 N 0.61 0.82 0.00 3.16 2.07 -0.89 -2.03 116.25 119.99 1e0h h VAL 71 Ca 0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1e0h h VAL 71 Cb 1.13 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1e0h h VAL 71 CO 0.12 0.07 0.00 0.29 0.02 0.00 0.00 177.57 178.07 1e0h n LYS 72 N -5.00 0.15 0.00 1.57 4.01 0.22 0.89 118.16 120.00 1e0h n LYS 72 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1e0h n LYS 72 Cb 0.22 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.33 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 -0.91 0.00 0.21 1.97 6.02 -1.03 -3.80 117.38 119.83 1e0h n GLN 73 Ca 0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.94 1e0h n GLN 73 Cb 0.01 -0.58 -0.04 0.00 1.02 0.00 0.00 30.24 30.66 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 -0.49 0.00 1.08 7.01 -0.79 0.05 115.95 122.81 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 0.89 0.16 0.00 0.00 -2.10 0.00 0.00 29.16 28.11 1e0h h TRP 74 CO 0.00 -0.30 0.35 0.00 -2.79 0.00 0.00 178.44 175.69 1e0h h ARG 75 N -0.58 0.00 0.00 2.65 3.08 0.25 0.48 114.38 120.25 1e0h h ARG 75 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1e0h h ARG 75 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1e0h h ARG 75 CO 0.09 0.00 -1.60 0.00 -1.07 0.00 0.00 179.97 177.39 1e0h n ALA 76 N -1.78 2.73 -0.08 0.04 0.00 -1.10 0.91 120.51 121.23 1e0h n ALA 76 Ca -0.02 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 1e0h n ALA 76 Cb 0.38 -0.89 -0.15 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.22 1.45 0.72 0.00 0.00 -0.01 -3.44 120.51 117.00 1e0h n ALA 77 Ca -0.02 -1.13 0.13 0.00 0.00 0.00 0.00 53.44 52.41 1e0h n ALA 77 Cb 0.56 -0.33 0.45 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.95 0.62 -1.75 0.00 2.85 0.15 -4.95 115.26 109.22 1e0h n ASN 78 Ca -0.32 0.54 -0.18 0.00 -0.11 0.00 0.00 54.58 54.51 1e0h n ASN 78 Cb 1.10 -0.69 -0.04 0.00 1.24 0.00 0.00 39.78 41.39 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 1.36 0.55 0.30 8.20 0.00 -0.69 -4.87 105.19 110.03 1e0h n GLY 79 Ca 0.06 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 0.02 0.00 1.61 1.79 0.26 -3.46 116.57 116.79 1e0h h LYS 80 Ca -0.40 -0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.13 1e0h h LYS 80 Cb 1.25 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 1e0h h LYS 80 CO 0.52 0.01 0.32 -1.13 -1.08 0.00 0.00 179.45 178.09 1e0h n SER 81 N -5.49 -1.24 -0.43 0.86 3.41 -1.26 -5.08 113.62 104.38 1e0h n SER 81 Ca 0.13 -1.73 -0.01 0.00 -0.26 0.00 0.00 58.87 57.00 1e0h n SER 81 Cb 0.45 2.04 -0.01 0.00 -0.26 0.00 0.00 64.21 66.42 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 -0.43 0.47 7.00 5.00 0.00 -1.26 -4.90 105.19 111.07 1e0h n GLY 82 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.74 1.61 3.01 -1.26 -4.76 117.46 112.32 1e0h n PHE 83 Ca -0.04 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.35 1e0h n PHE 83 Cb 0.36 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.81 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 1.41 0.13 -1.08 2.20 -1.22 -4.46 119.74 116.71 1e0h s LYS 84 Ca 0.00 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 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 -0.64 0.00 1.04 -0.36 0.00 0.00 175.35 175.39 1e0h n GLN 85 N -0.44 0.00 0.00 4.03 6.02 -1.26 -3.44 117.38 122.29 1e0h n GLN 85 Ca -0.07 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.94 1e0h n GLN 85 Cb 0.61 -0.36 0.01 0.00 1.02 0.00 0.00 30.24 31.51 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46