#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 1.11 0.05 3.17 0.41 -1.26 -5.06 118.70 117.12 1e0h s GLU 2 Ca 0.00 -0.57 -0.24 0.00 -0.41 0.00 0.00 54.97 53.75 1e0h s GLU 2 Cb 0.00 0.50 0.06 0.00 -1.78 0.00 0.00 34.13 32.90 1e0h s GLU 2 CO 0.00 -0.44 0.55 -0.51 -0.49 0.00 0.00 175.26 174.37 1e0h s LEU 3 N -2.64 -0.21 0.30 1.80 1.43 -1.26 -5.01 118.68 113.09 1e0h s LEU 3 Ca 0.01 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1e0h s LEU 3 Cb 0.01 2.23 -0.03 0.00 0.03 0.00 0.00 46.19 48.43 1e0h s LEU 3 CO -0.10 -0.73 0.21 -0.54 0.23 0.00 0.00 176.35 175.42 1e0h s LYS 4 N -2.42 1.60 0.40 1.70 1.02 -1.26 -5.01 119.74 115.77 1e0h s LYS 4 Ca -0.05 -1.91 0.22 0.00 0.02 0.00 0.00 55.97 54.24 1e0h s LYS 4 Cb -0.01 0.19 0.52 0.00 -0.52 0.00 0.00 37.83 38.02 1e0h s LYS 4 CO -0.01 -0.54 1.65 0.45 -0.92 0.00 0.00 175.35 175.98 1e0h h HIS 5 N 2.25 0.00 -3.73 3.18 3.86 -2.01 -3.47 115.15 115.23 1e0h h HIS 5 Ca -0.30 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.78 1e0h h HIS 5 Cb 1.24 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.53 1e0h h HIS 5 CO 1.25 0.23 -0.51 -1.12 0.86 0.00 0.00 177.93 178.64 1e0h s SER 6 N -6.23 0.14 0.00 2.45 0.01 -1.26 -5.01 113.70 103.79 1e0h s SER 6 Ca 0.04 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1e0h s SER 6 Cb 0.08 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1e0h s SER 6 CO 0.67 -0.48 0.07 0.00 0.41 0.00 0.00 173.24 173.91 1e0h n ILE 7 N 0.92 0.02 0.00 1.44 3.06 -1.26 -2.34 119.36 121.19 1e0h n ILE 7 Ca -0.20 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 1e0h n ILE 7 Cb 0.58 -0.13 0.00 0.00 0.54 0.00 0.00 39.64 40.63 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 0.50 0.00 0.00 9.51 2.88 -1.26 -2.37 113.62 122.89 1e0h n SER 8 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1e0h n SER 8 Cb 0.04 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.26 0.00 -4.34 -3.46 8.00 -0.99 -4.44 116.55 111.06 1e0h n ASP 9 Ca 0.00 0.26 -0.29 0.00 0.71 0.00 0.00 54.79 55.47 1e0h n ASP 9 Cb 0.00 -0.41 -0.14 0.00 -0.02 0.00 0.00 41.12 40.55 1e0h n ASP 9 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1e0h s TYR 10 N -2.82 2.21 0.95 1.24 -0.85 -1.25 -5.01 117.35 111.83 1e0h s TYR 10 Ca 0.17 -0.40 -0.14 0.00 -0.52 0.00 0.00 57.07 56.18 1e0h s TYR 10 Cb 0.16 -1.29 0.16 0.00 0.38 0.00 0.00 41.96 41.38 1e0h s TYR 10 CO 0.41 0.18 1.16 -0.08 -1.52 0.00 0.00 175.55 175.69 1e0h s THR 11 N -0.88 1.95 0.36 -3.49 -1.32 -1.26 -2.99 115.64 108.00 1e0h s THR 11 Ca 0.11 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.69 1e0h s THR 11 Cb -0.10 -2.74 0.11 0.00 -1.51 0.00 0.00 72.50 68.25 1e0h s THR 11 CO 0.03 0.00 1.83 -0.08 -2.21 0.00 0.00 174.62 174.19 1e0h h GLU 12 N -1.65 0.15 0.02 7.08 4.81 -1.93 -1.45 114.58 121.61 1e0h h GLU 12 Ca -0.49 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 58.48 1e0h h GLU 12 Cb 1.32 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 1e0h h GLU 12 CO 0.56 0.43 -0.97 0.00 -0.73 0.00 0.00 179.01 178.30 1e0h h ALA 13 N 1.58 0.42 -0.36 2.92 0.00 -1.93 -0.45 119.26 121.44 1e0h h ALA 13 Ca 0.02 -0.82 0.02 0.00 0.00 0.00 0.00 54.91 54.13 1e0h h ALA 13 Cb 0.58 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1e0h h ALA 13 CO 0.04 1.07 0.19 0.93 0.00 0.00 0.00 179.25 181.48 1e0h h GLU 14 N 0.04 0.39 0.00 0.00 5.08 -1.83 0.56 114.58 118.81 1e0h h GLU 14 Ca -0.04 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 1e0h h GLU 14 Cb 1.66 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 1e0h h GLU 14 CO 0.14 0.25 -0.82 0.35 -1.00 0.00 0.00 179.01 177.93 1e0h h PHE 15 N 0.40 0.00 -0.69 4.33 3.57 -1.22 -1.30 116.94 122.03 1e0h h PHE 15 Ca 0.15 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1e0h h PHE 15 Cb 0.04 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1e0h h PHE 15 CO -0.09 0.82 0.18 1.25 -2.23 0.00 0.00 178.31 178.24 1e0h h LEU 16 N 0.00 1.03 -1.25 0.59 5.85 -0.66 -0.04 115.31 120.83 1e0h h LEU 16 Ca -0.01 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 1e0h h LEU 16 Cb 1.49 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1e0h h LEU 16 CO 0.11 0.98 -0.10 -0.61 -0.34 0.00 0.00 178.44 178.47 1e0h h GLN 17 N 1.04 0.39 -0.05 1.25 4.15 -0.84 -1.41 115.11 119.63 1e0h h GLN 17 Ca 0.22 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.45 1e0h h GLN 17 Cb 0.35 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1e0h h GLN 17 CO -0.00 0.50 -0.32 1.25 -1.93 0.00 0.00 178.83 178.33 1e0h h LEU 18 N 0.37 0.36 -0.89 -2.39 6.46 -0.13 0.30 115.31 119.40 1e0h h LEU 18 Ca 0.07 -0.68 0.07 0.00 -0.12 0.00 0.00 57.88 57.22 1e0h h LEU 18 Cb 0.41 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.17 1e0h h LEU 18 CO 0.02 0.99 0.55 0.58 -0.62 0.00 0.00 178.44 179.96 1e0h h VAL 19 N -0.23 1.03 0.00 1.05 2.07 -0.94 0.13 116.25 119.36 1e0h h VAL 19 Ca -0.03 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1e0h h VAL 19 Cb 1.00 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1e0h h VAL 19 CO 0.07 0.18 -0.22 0.74 0.02 0.00 0.00 177.57 178.36 1e0h h THR 20 N 0.99 0.80 0.00 2.57 2.02 -1.04 0.17 112.91 118.42 1e0h h THR 20 Ca 0.39 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 1e0h h THR 20 Cb 0.21 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1e0h h THR 20 CO -0.19 0.22 -0.40 0.74 0.37 0.00 0.00 175.52 176.26 1e0h h THR 21 N 0.00 1.20 0.02 3.16 2.02 0.24 0.62 112.91 120.16 1e0h h THR 21 Ca -0.00 -1.42 -0.17 0.00 0.77 0.00 0.00 66.41 65.59 1e0h h THR 21 Cb 0.51 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1e0h h THR 21 CO 0.03 0.39 -0.94 0.40 0.37 0.00 0.00 175.52 175.78 1e0h h ILE 22 N 0.00 1.18 0.00 3.11 2.04 -0.60 0.44 117.51 123.68 1e0h h ILE 22 Ca -0.00 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1e0h h ILE 22 Cb 0.75 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 1e0h h ILE 22 CO 0.05 0.46 0.03 0.00 0.00 0.00 0.00 178.15 178.69 1e0h n ASN 24 N -1.70 1.30 -2.47 0.00 5.15 0.21 -5.01 115.26 112.75 1e0h n ASN 24 Ca -0.00 -0.46 -0.16 0.00 -0.60 0.00 0.00 54.58 53.36 1e0h n ASN 24 Cb 0.04 1.15 -0.01 0.00 -0.53 0.00 0.00 39.78 40.43 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 -1.43 -0.73 0.01 5.20 0.00 0.15 -4.81 120.51 118.91 1e0h n ALA 25 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1e0h n ALA 25 Cb 0.18 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 -1.93 1.44 -2.58 0.00 2.03 -0.83 -4.42 116.55 110.26 1e0h n ASP 26 Ca -0.18 -1.16 -0.13 0.00 0.52 0.00 0.00 54.79 53.84 1e0h n ASP 26 Cb 0.64 -0.29 -0.04 0.00 -0.72 0.00 0.00 41.12 40.71 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 1.48 0.00 0.30 5.18 -2.24 -1.26 -0.43 114.28 117.31 1e0h n THR 27 Ca 0.00 -1.31 0.18 0.00 -2.27 0.00 0.00 64.05 60.65 1e0h n THR 27 Cb 0.16 0.54 0.93 0.00 -2.10 0.00 0.00 70.33 69.86 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 0.97 0.00 0.00 3.42 4.64 -1.96 -3.46 113.55 117.16 1e0h h SER 28 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1e0h h SER 28 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1e0h h SER 28 CO 0.24 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.00 1e0h n SER 29 N -3.12 0.00 0.00 4.97 7.64 -1.26 -4.79 113.62 117.05 1e0h n SER 29 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1e0h n SER 29 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 -0.65 0.00 -0.00 1.43 2.13 -1.26 -4.96 120.64 117.32 1e0h n GLU 30 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 1e0h n GLU 30 Cb 0.00 -0.03 -0.00 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 0.02 -0.31 5.31 0.00 -1.26 -3.01 120.64 121.39 1e0h n GLU 31 Ca 0.00 0.01 0.22 0.00 0.00 0.00 0.00 57.16 57.39 1e0h n GLU 31 Cb 0.04 -0.41 0.41 0.00 0.00 0.00 0.00 31.44 31.48 1e0h n GLU 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1e0h n GLU 32 N -2.61 -0.07 0.16 5.31 -0.58 -1.26 -0.51 120.64 121.09 1e0h n GLU 32 Ca -0.01 1.34 -0.13 0.00 -0.42 0.00 0.00 57.16 57.94 1e0h n GLU 32 Cb 0.02 -2.26 -0.08 0.00 -0.57 0.00 0.00 31.44 28.55 1e0h n GLU 32 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1e0h h LEU 33 N 0.00 -1.15 -2.00 -4.62 3.38 -1.94 1.16 115.31 110.14 1e0h h LEU 33 Ca 0.68 0.11 0.17 0.00 0.09 0.00 0.00 57.88 58.92 1e0h h LEU 33 Cb 1.62 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 42.75 1e0h h LEU 33 CO -0.80 -0.47 0.45 0.58 0.09 0.00 0.00 178.44 178.29 1e0h h VAL 34 N -0.68 0.61 0.00 1.22 2.07 -1.03 0.21 116.25 118.65 1e0h h VAL 34 Ca -0.03 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 1e0h h VAL 34 Cb 0.63 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1e0h h VAL 34 CO -0.14 0.00 -1.50 1.17 0.02 0.00 0.00 177.57 177.12 1e0h n LYS 35 N -4.20 0.63 0.06 1.57 4.81 0.34 -1.48 118.16 119.89 1e0h n LYS 35 Ca 0.11 0.14 -0.14 0.00 -0.87 0.00 0.00 58.31 57.55 1e0h n LYS 35 Cb 0.68 -1.76 -0.14 0.00 0.02 0.00 0.00 35.03 33.84 1e0h n LYS 35 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1e0h h LEU 36 N 0.00 0.29 0.58 3.14 3.38 0.17 0.19 115.31 123.07 1e0h h LEU 36 Ca -0.16 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1e0h h LEU 36 Cb 1.50 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1e0h h LEU 36 CO 0.03 1.33 -0.43 0.58 0.09 0.00 0.00 178.44 180.04 1e0h h VAL 37 N 0.05 0.13 -0.03 1.22 2.07 -0.61 -0.51 116.25 118.58 1e0h h VAL 37 Ca -0.21 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.18 1e0h h VAL 37 Cb 1.98 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1e0h h VAL 37 CO 0.15 0.00 -0.61 0.74 0.02 0.00 0.00 177.57 177.87 1e0h h THR 38 N -0.98 1.42 -0.86 2.57 2.02 -1.31 0.18 112.91 115.95 1e0h h THR 38 Ca -0.07 -2.05 0.12 0.00 0.77 0.00 0.00 66.41 65.18 1e0h h THR 38 Cb 0.82 2.08 -0.06 0.00 -1.74 0.00 0.00 68.15 69.25 1e0h h THR 38 CO 0.02 0.59 0.56 -0.74 0.37 0.00 0.00 175.52 176.32 1e0h h HIS 39 N 0.07 0.82 0.28 3.16 6.17 -0.54 0.82 115.15 125.93 1e0h h HIS 39 Ca -0.01 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 1e0h h HIS 39 Cb 1.09 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 30.76 1e0h h HIS 39 CO 0.01 0.34 -0.13 0.35 0.71 0.00 0.00 177.93 179.20 1e0h h PHE 40 N 0.72 -0.35 -1.07 5.26 3.04 0.10 0.15 116.94 124.80 1e0h h PHE 40 Ca 0.42 -0.01 0.31 0.00 3.98 0.00 0.00 57.97 62.67 1e0h h PHE 40 Cb 0.60 0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.19 1e0h h PHE 40 CO -0.00 -0.03 0.79 0.93 -2.02 0.00 0.00 178.31 177.98 1e0h h GLU 41 N -0.68 0.00 0.00 1.11 5.08 -1.02 -2.57 114.58 116.51 1e0h h GLU 41 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1e0h h GLU 41 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1e0h h GLU 41 CO 0.06 0.00 -0.10 1.49 -1.00 0.00 0.00 179.01 179.46 1e0h h GLU 42 N 0.00 0.00 -0.52 2.33 4.22 -0.62 -3.39 114.58 116.59 1e0h h GLU 42 Ca 0.51 0.00 0.10 0.00 0.08 0.00 0.00 59.36 60.05 1e0h h GLU 42 Cb 2.09 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.25 1e0h h GLU 42 CO -0.01 0.00 0.03 0.52 -2.18 0.00 0.00 179.01 177.37 1e0h h MET 43 N -0.72 0.14 -0.43 1.92 2.86 -0.28 -2.64 114.93 115.79 1e0h h MET 43 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1e0h h MET 43 Cb 0.10 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1e0h h MET 43 CO 0.00 0.10 0.00 -2.37 1.06 0.00 0.00 176.91 175.70 1e0h n THR 44 N -5.21 0.77 -2.23 2.22 5.66 -1.14 -4.37 114.28 109.98 1e0h n THR 44 Ca 0.06 -0.89 -0.13 0.00 -3.05 0.00 0.00 64.05 60.04 1e0h n THR 44 Cb 0.28 0.70 -0.02 0.00 -1.55 0.00 0.00 70.33 69.74 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 1.08 -2.00 -3.62 1.09 1.02 -1.00 -4.85 120.64 112.35 1e0h n GLU 45 Ca 0.16 0.67 -0.38 0.00 -0.02 0.00 0.00 57.16 57.59 1e0h n GLU 45 Cb 0.51 -5.20 -0.06 0.00 -0.02 0.00 0.00 31.44 26.66 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 -2.55 3.67 0.15 -0.32 2.46 -1.26 -5.00 115.29 112.43 1e0h s HIS 46 Ca 0.00 0.82 -0.21 0.00 0.47 0.00 0.00 55.06 56.14 1e0h s HIS 46 Cb 0.00 -2.18 0.04 0.00 -0.13 0.00 0.00 32.58 30.31 1e0h s HIS 46 CO 0.00 0.65 1.24 -2.30 -2.47 0.00 0.00 174.74 171.85 1e0h n PRO 47 N 1.99 -0.29 -2.09 2.88 -0.02 -1.26 -3.58 135.00 132.62 1e0h n PRO 47 Ca -0.16 1.22 -0.33 0.00 -2.02 0.00 0.00 63.50 62.21 1e0h n PRO 47 Cb 0.53 -1.80 0.03 0.00 -0.02 0.00 0.00 33.50 32.24 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 -5.07 6.20 -0.02 2.55 7.64 -1.26 -4.91 113.62 118.76 1e0h n SER 48 Ca 0.04 -3.78 -0.01 0.00 1.01 0.00 0.00 58.87 56.14 1e0h n SER 48 Cb 0.25 -0.75 -0.01 0.00 -1.01 0.00 0.00 64.21 62.69 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 -0.57 -0.64 0.95 0.23 0.00 -1.23 0.15 105.19 104.07 1e0h n GLY 49 Ca 0.48 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.78 1e0h n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1e0h n SER 50 N -2.70 2.95 -0.40 1.61 7.64 -1.26 -4.12 113.62 117.33 1e0h n SER 50 Ca 0.00 -1.95 0.08 0.00 1.01 0.00 0.00 58.87 58.01 1e0h n SER 50 Cb 0.01 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1e0h n SER 50 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1e0h n ASP 51 N 1.26 1.72 -1.28 6.43 5.75 0.40 -0.99 116.55 129.84 1e0h n ASP 51 Ca 0.16 -1.36 -0.08 0.00 -0.01 0.00 0.00 54.79 53.49 1e0h n ASP 51 Cb 0.57 0.44 0.12 0.00 -1.03 0.00 0.00 41.12 41.23 1e0h n ASP 51 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1e0h n LEU 52 N -0.04 3.82 0.00 -2.12 -0.00 0.39 -3.45 117.00 115.59 1e0h n LEU 52 Ca 0.07 -4.28 0.00 0.00 -0.00 0.00 0.00 56.01 51.80 1e0h n LEU 52 Cb 0.36 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 1e0h n LEU 52 CO 0.20 1.72 -0.29 -0.38 -0.00 0.00 0.00 177.39 178.64 1e0h n ILE 53 N -0.94 0.00 -0.09 1.47 2.08 -1.13 -4.67 119.36 116.08 1e0h n ILE 53 Ca 0.31 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.62 1e0h n ILE 53 Cb 0.83 -0.94 0.00 0.00 -0.75 0.00 0.00 39.64 38.78 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 -2.66 0.00 0.19 1.39 4.01 -0.16 -4.80 117.16 115.12 1e0h n TYR 54 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1e0h n TYR 54 Cb 0.29 0.00 0.28 0.00 -0.31 0.00 0.00 39.34 39.61 1e0h n TYR 54 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1e0h h TYR 55 N 0.00 0.00 -3.55 -0.72 -1.99 -1.70 -3.46 116.97 105.55 1e0h h TYR 55 Ca 0.00 0.00 -0.41 0.00 2.00 0.00 0.00 58.73 60.32 1e0h h TYR 55 Cb 0.00 0.00 0.19 0.00 2.00 0.00 0.00 36.73 38.92 1e0h h TYR 55 CO 0.00 0.36 0.21 -1.25 -0.00 0.00 0.00 178.16 177.47 1e0h s PRO 56 N -3.42 -1.07 0.00 4.88 0.04 -1.22 -4.61 135.00 129.59 1e0h s PRO 56 Ca 0.02 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1e0h s PRO 56 Cb 0.10 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 33.00 1e0h s PRO 56 CO 0.69 -3.57 0.00 1.17 0.04 0.00 0.00 177.00 175.32 1e0h n LYS 57 N -4.61 0.00 0.00 4.56 4.81 -1.25 -4.83 118.16 116.84 1e0h n LYS 57 Ca 0.16 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.72 1e0h n LYS 57 Cb 0.60 0.00 0.36 0.00 0.02 0.00 0.00 35.03 36.01 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 -0.22 0.17 -0.18 1.64 4.07 -1.26 -2.98 120.64 121.88 1e0h n GLU 58 Ca 0.00 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1e0h n GLU 58 Cb 0.00 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 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 1.46 0.30 3.31 8.31 0.00 -1.26 -5.14 105.19 112.17 1e0h n GLY 59 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.09 2.03 -0.88 1.61 1.01 -1.16 -5.09 116.67 114.09 1e0h s ASP 60 Ca 0.00 -1.10 -0.14 0.00 0.71 0.00 0.00 52.55 52.02 1e0h s ASP 60 Cb 0.00 -0.04 0.21 0.00 1.01 0.00 0.00 42.92 44.10 1e0h s ASP 60 CO 0.00 -0.37 0.88 -0.62 0.21 0.00 0.00 175.17 175.27 1e0h s ASP 61 N -3.27 6.81 -0.06 0.27 2.15 -1.26 -3.74 116.67 117.57 1e0h s ASP 61 Ca 0.23 -2.69 -0.00 0.00 0.43 0.00 0.00 52.55 50.52 1e0h s ASP 61 Cb 0.03 -2.25 -0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1e0h s ASP 61 CO 0.05 -0.63 -0.00 -2.24 -0.17 0.00 0.00 175.17 172.18 1e0h h ASP 62 N 7.83 0.00 0.00 -0.34 2.03 -1.88 -3.08 116.42 120.98 1e0h h ASP 62 Ca 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1e0h h ASP 62 Cb 1.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 1e0h h ASP 62 CO 0.85 0.28 0.00 -1.20 -1.03 0.00 0.00 179.24 178.14 1e0h n SER 63 N -3.56 0.00 -0.44 4.15 7.64 -1.26 0.83 113.62 120.98 1e0h n SER 63 Ca -0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1e0h n SER 63 Cb 0.00 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 63.72 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 1.60 0.02 1.43 -0.02 -1.26 -4.59 135.00 132.18 1e0h n PRO 64 Ca 0.00 -0.88 0.00 0.00 -2.02 0.00 0.00 63.50 60.60 1e0h n PRO 64 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.07 0.18 -0.33 2.55 3.41 -0.90 -4.43 113.62 114.18 1e0h n SER 65 Ca 0.18 0.05 0.21 0.00 -0.26 0.00 0.00 58.87 59.06 1e0h n SER 65 Cb 0.31 -0.03 0.48 0.00 -0.26 0.00 0.00 64.21 64.71 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 1.38 0.86 5.00 0.00 -1.19 0.42 103.07 109.53 1e0h h GLY 66 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1e0h h GLY 66 CO 0.00 -0.16 0.04 0.16 0.00 0.00 0.00 176.54 176.58 1e0h h ILE 67 N 0.45 1.23 0.00 2.60 3.07 0.53 0.73 117.51 126.11 1e0h h ILE 67 Ca 0.60 -0.77 -0.04 0.00 1.55 0.00 0.00 64.86 66.20 1e0h h ILE 67 Cb 1.43 1.27 -0.01 0.00 -0.27 0.00 0.00 36.82 39.24 1e0h h ILE 67 CO -0.34 0.24 -0.20 0.58 -1.05 0.00 0.00 178.15 177.39 1e0h h VAL 68 N 0.21 0.52 -0.41 0.16 2.07 -1.60 0.07 116.25 117.27 1e0h h VAL 68 Ca 0.07 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.50 1e0h h VAL 68 Cb 0.33 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1e0h h VAL 68 CO 0.01 0.19 -0.11 -1.13 0.02 0.00 0.00 177.57 176.55 1e0h h ASN 69 N 0.00 0.71 -0.34 0.57 -0.73 0.65 -1.00 115.58 115.44 1e0h h ASN 69 Ca -0.00 -0.21 -0.11 0.00 1.87 0.00 0.00 56.30 57.85 1e0h h ASN 69 Cb 0.68 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.06 1e0h h ASN 69 CO 0.03 0.85 -0.20 0.74 -0.37 0.00 0.00 177.43 178.48 1e0h h THR 70 N 0.66 1.27 -0.25 -3.57 2.02 0.24 0.13 112.91 113.42 1e0h h THR 70 Ca 0.11 -1.31 0.04 0.00 0.77 0.00 0.00 66.41 66.02 1e0h h THR 70 Cb 0.56 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1e0h h THR 70 CO 0.04 0.44 0.01 0.58 0.37 0.00 0.00 175.52 176.96 1e0h h VAL 71 N 0.72 0.83 0.00 3.16 2.07 -1.38 -0.60 116.25 121.06 1e0h h VAL 71 Ca 0.10 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1e0h h VAL 71 Cb 0.72 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1e0h h VAL 71 CO 0.06 0.02 0.00 0.29 0.02 0.00 0.00 177.57 177.95 1e0h n LYS 72 N -5.14 0.07 0.00 1.57 4.01 0.43 0.98 118.16 120.07 1e0h n LYS 72 Ca -0.01 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 1e0h n LYS 72 Cb 0.13 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 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 -1.02 0.00 0.31 1.97 6.02 -1.03 -3.72 117.38 119.91 1e0h n GLN 73 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 1e0h n GLN 73 Cb 0.01 -0.53 -0.06 0.00 1.02 0.00 0.00 30.24 30.68 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 -0.73 0.00 1.08 7.01 -0.59 0.30 115.95 123.02 1e0h h TRP 74 Ca 0.00 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1e0h h TRP 74 Cb 0.91 0.24 0.00 0.00 -2.10 0.00 0.00 29.16 28.21 1e0h h TRP 74 CO 0.00 -0.45 0.06 0.54 -2.79 0.00 0.00 178.44 175.80 1e0h n ARG 75 N -4.15 0.00 -0.07 2.65 1.74 0.27 -0.27 116.66 116.83 1e0h n ARG 75 Ca -0.10 0.38 -0.05 0.00 -0.77 0.00 0.00 57.85 57.32 1e0h n ARG 75 Cb 0.31 -1.56 -0.14 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.37 1.82 0.00 7.54 0.00 -1.08 0.21 120.51 127.63 1e0h n ALA 76 Ca 0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 53.44 52.26 1e0h n ALA 76 Cb 0.06 -0.22 -0.14 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.52 0.91 0.27 0.00 0.00 0.10 -2.40 120.51 116.88 1e0h n ALA 77 Ca -0.22 -0.59 0.15 0.00 0.00 0.00 0.00 53.44 52.78 1e0h n ALA 77 Cb 0.93 -0.69 0.72 0.00 0.00 0.00 0.00 19.45 20.41 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 0.07 0.00 -2.37 0.00 -0.00 -0.83 -3.47 115.58 108.98 1e0h h ASN 78 Ca -0.42 0.00 -0.35 0.00 -0.00 0.00 0.00 56.30 55.54 1e0h h ASN 78 Cb 2.04 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 40.33 1e0h h ASN 78 CO 0.09 0.08 -0.44 0.61 -0.00 0.00 0.00 177.43 177.77 1e0h n GLY 79 N -0.28 -0.21 0.23 1.57 0.00 -1.01 -4.87 105.19 100.61 1e0h n GLY 79 Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.65 -0.18 -1.17 1.61 4.76 0.13 -4.87 118.16 115.79 1e0h n LYS 80 Ca -0.20 0.87 0.15 0.00 -2.87 0.00 0.00 58.31 56.26 1e0h n LYS 80 Cb 0.65 -1.29 -0.05 0.00 -1.84 0.00 0.00 35.03 32.50 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 -4.79 -7.00 0.00 4.39 7.64 -1.23 -5.07 113.62 107.55 1e0h n SER 81 Ca 0.04 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.67 1e0h n SER 81 Cb 0.20 -3.72 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 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 -3.89 -0.86 3.58 0.23 0.00 -1.26 -5.02 105.19 97.97 1e0h n GLY 82 Ca -0.02 0.40 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.73 0.13 1.61 0.08 -1.00 -4.26 117.98 115.27 1e0h s PHE 83 Ca 0.00 0.60 0.01 0.00 0.12 0.00 0.00 56.93 57.66 1e0h s PHE 83 Cb 0.00 -3.37 0.01 0.00 -0.57 0.00 0.00 43.02 39.08 1e0h s PHE 83 CO 0.00 -3.79 0.05 1.17 -0.10 0.00 0.00 175.22 172.56 1e0h n LYS 84 N -4.73 1.47 0.04 0.44 4.81 -1.16 -4.96 118.16 114.08 1e0h n LYS 84 Ca 0.11 -0.89 0.00 0.00 -0.87 0.00 0.00 58.31 56.66 1e0h n LYS 84 Cb 0.59 0.16 0.00 0.00 0.02 0.00 0.00 35.03 35.80 1e0h n LYS 84 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1e0h n GLN 85 N -0.59 0.00 0.00 1.64 0.00 -1.26 -4.10 117.38 113.07 1e0h n GLN 85 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.97 1e0h n GLN 85 Cb 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 30.24 30.33 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47