#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 -3.27 0.00 2.12 0.00 -1.26 -5.10 120.64 113.14 1e0h n GLU 2 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 57.16 56.12 1e0h n GLU 2 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 31.44 30.27 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 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1e0h n LEU 3 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1e0h n LEU 3 CO 0.26 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.49 1e0h n LYS 4 N 0.00 -2.01 0.06 3.23 3.00 -1.26 -4.95 118.16 116.24 1e0h n LYS 4 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.35 1e0h n LYS 4 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1e0h n LYS 4 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1e0h h HIS 5 N 0.00 0.00 -3.25 5.64 3.86 -2.01 -3.49 115.15 115.90 1e0h h HIS 5 Ca 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1e0h h HIS 5 Cb 0.00 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 28.27 1e0h h HIS 5 CO 0.00 0.39 -0.37 -1.12 0.86 0.00 0.00 177.93 177.68 1e0h s SER 6 N -5.70 -0.10 0.00 2.45 0.01 -1.26 -4.99 113.70 104.11 1e0h s SER 6 Ca -0.02 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1e0h s SER 6 Cb 0.09 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1e0h s SER 6 CO 0.80 -0.41 0.78 0.00 0.41 0.00 0.00 173.24 174.82 1e0h n ILE 7 N 1.39 1.20 0.00 1.44 3.06 -1.26 -2.59 119.36 122.59 1e0h n ILE 7 Ca -0.22 0.37 0.00 0.00 -2.50 0.00 0.00 62.75 60.40 1e0h n ILE 7 Cb 0.56 -1.37 0.00 0.00 0.54 0.00 0.00 39.64 39.37 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 -1.28 4.76 0.00 9.51 3.41 -1.16 -3.80 113.62 125.06 1e0h n SER 8 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1e0h n SER 8 Cb 0.07 0.90 0.61 0.00 -0.26 0.00 0.00 64.21 65.52 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 -1.48 0.00 -4.20 4.04 9.92 -1.07 -4.06 116.55 119.69 1e0h n ASP 9 Ca 0.00 -0.11 -0.17 0.00 -0.53 0.00 0.00 54.79 53.98 1e0h n ASP 9 Cb 0.05 -0.26 -0.11 0.00 -0.64 0.00 0.00 41.12 40.16 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 -2.52 1.25 0.50 1.24 1.13 -1.24 -4.94 117.35 112.77 1e0h s TYR 10 Ca 0.23 -0.54 -0.05 0.00 -1.41 0.00 0.00 57.07 55.31 1e0h s TYR 10 Cb 0.16 -0.68 0.11 0.00 -1.10 0.00 0.00 41.96 40.45 1e0h s TYR 10 CO 0.35 0.08 0.68 0.25 -2.51 0.00 0.00 175.55 174.40 1e0h n THR 11 N 0.84 0.00 -0.10 -3.49 -2.24 -1.26 -1.56 114.28 106.47 1e0h n THR 11 Ca -0.18 -0.77 -0.06 0.00 -2.27 0.00 0.00 64.05 60.77 1e0h n THR 11 Cb 0.56 -1.37 0.01 0.00 -2.10 0.00 0.00 70.33 67.43 1e0h n THR 11 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1e0h h GLU 12 N 0.00 0.21 -0.66 -0.78 4.81 -1.88 -2.73 114.58 113.54 1e0h h GLU 12 Ca -0.22 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1e0h h GLU 12 Cb 0.71 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1e0h h GLU 12 CO 0.20 0.14 0.22 0.00 -0.73 0.00 0.00 179.01 178.83 1e0h h ALA 13 N 1.24 1.13 -0.37 2.92 0.00 -1.93 0.77 119.26 123.02 1e0h h ALA 13 Ca 0.16 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1e0h h ALA 13 Cb 0.16 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.60 1e0h h ALA 13 CO -0.19 0.60 -0.21 0.93 0.00 0.00 0.00 179.25 180.38 1e0h h GLU 14 N 0.98 -0.15 -0.02 0.00 5.08 -1.93 0.19 114.58 118.73 1e0h h GLU 14 Ca 0.22 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.40 1e0h h GLU 14 Cb 0.26 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1e0h h GLU 14 CO -0.01 -0.10 -0.81 0.35 -1.00 0.00 0.00 179.01 177.44 1e0h h PHE 15 N -0.15 0.33 -0.28 4.33 3.57 -0.68 -2.79 116.94 121.27 1e0h h PHE 15 Ca 0.18 -0.17 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 1e0h h PHE 15 Cb 0.44 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1e0h h PHE 15 CO -0.43 0.95 -0.45 1.25 -2.23 0.00 0.00 178.31 177.39 1e0h h LEU 16 N 0.14 0.79 -1.20 0.59 5.85 0.98 -0.26 115.31 122.21 1e0h h LEU 16 Ca -0.04 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 1e0h h LEU 16 Cb 1.41 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1e0h h LEU 16 CO 0.13 1.12 0.06 -0.61 -0.34 0.00 0.00 178.44 178.80 1e0h h GLN 17 N 0.58 0.62 -0.12 1.25 4.15 -1.05 -1.35 115.11 119.19 1e0h h GLN 17 Ca 0.04 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 1e0h h GLN 17 Cb 1.01 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.60 1e0h h GLN 17 CO 0.10 0.59 -0.20 1.25 -1.93 0.00 0.00 178.83 178.64 1e0h h LEU 18 N 0.60 0.38 -0.55 -2.39 5.85 -0.88 0.27 115.31 118.58 1e0h h LEU 18 Ca 0.13 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 58.37 1e0h h LEU 18 Cb 0.28 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1e0h h LEU 18 CO 0.00 0.85 0.26 0.58 -0.34 0.00 0.00 178.44 179.80 1e0h h VAL 19 N -0.08 0.92 0.00 1.05 2.07 -0.98 0.04 116.25 119.26 1e0h h VAL 19 Ca 0.01 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1e0h h VAL 19 Cb 0.78 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1e0h h VAL 19 CO 0.05 0.09 -0.04 0.74 0.02 0.00 0.00 177.57 178.43 1e0h h THR 20 N 0.50 0.19 0.00 2.57 2.02 -0.91 0.20 112.91 117.48 1e0h h THR 20 Ca 0.25 -0.31 -0.15 0.00 0.77 0.00 0.00 66.41 66.97 1e0h h THR 20 Cb 0.20 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1e0h h THR 20 CO -0.19 0.04 -0.71 0.74 0.37 0.00 0.00 175.52 175.76 1e0h h THR 21 N 0.00 1.39 0.07 3.16 2.02 0.15 -0.40 112.91 119.30 1e0h h THR 21 Ca -0.00 -2.55 -0.18 0.00 0.77 0.00 0.00 66.41 64.45 1e0h h THR 21 Cb 0.25 2.42 -0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1e0h h THR 21 CO 0.00 0.70 -0.89 0.40 0.37 0.00 0.00 175.52 176.11 1e0h h ILE 22 N 0.00 1.31 0.00 3.11 2.04 -0.62 0.40 117.51 123.75 1e0h h ILE 22 Ca -0.01 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.48 1e0h h ILE 22 Cb 1.37 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 40.35 1e0h h ILE 22 CO 0.09 0.61 0.00 0.00 0.00 0.00 0.00 178.15 178.85 1e0h n ASN 24 N -1.30 1.55 -3.78 0.00 3.02 -0.16 -5.00 115.26 109.60 1e0h n ASN 24 Ca 0.02 -0.04 -0.26 0.00 -0.03 0.00 0.00 54.58 54.26 1e0h n ASN 24 Cb 0.04 0.41 0.04 0.00 -0.61 0.00 0.00 39.78 39.66 1e0h n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1e0h n ALA 25 N -2.80 -1.45 0.21 5.41 0.00 0.14 -4.89 120.51 117.12 1e0h n ALA 25 Ca -0.31 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.35 1e0h n ALA 25 Cb 0.97 -4.21 0.23 0.00 0.00 0.00 0.00 19.45 16.44 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 -2.20 0.00 -3.51 0.00 3.58 -1.71 -3.43 116.42 109.15 1e0h h ASP 26 Ca -0.58 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 56.83 1e0h h ASP 26 Cb 1.37 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.43 1e0h h ASP 26 CO 0.62 0.00 0.01 0.35 -2.88 0.00 0.00 179.24 177.33 1e0h n THR 27 N -2.12 0.00 0.32 2.25 -2.24 -1.26 -4.66 114.28 106.57 1e0h n THR 27 Ca -0.01 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1e0h n THR 27 Cb 0.59 -1.29 0.59 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.04 0.00 0.00 3.42 4.64 -1.96 -3.45 113.55 116.16 1e0h h SER 28 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1e0h h SER 28 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1e0h h SER 28 CO 0.03 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.79 1e0h n SER 29 N -2.73 0.00 0.00 4.97 7.64 -1.26 -4.76 113.62 117.48 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 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.83 0.00 -0.02 1.43 4.07 -1.26 -4.95 120.64 119.08 1e0h n GLU 30 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 1e0h n GLU 30 Cb 0.00 -0.05 -0.01 0.00 -0.06 0.00 0.00 31.44 31.32 1e0h n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1e0h n GLU 31 N 0.00 0.18 -0.34 5.31 2.13 -1.26 -2.61 120.64 124.05 1e0h n GLU 31 Ca 0.00 0.07 0.15 0.00 0.66 0.00 0.00 57.16 58.04 1e0h n GLU 31 Cb 0.24 -0.74 0.34 0.00 0.27 0.00 0.00 31.44 31.55 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 -0.35 0.58 0.38 5.31 4.39 -1.95 0.35 114.58 123.29 1e0h h GLU 32 Ca 0.00 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1e0h h GLU 32 Cb 0.35 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1e0h h GLU 32 CO 0.00 0.39 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.78 1e0h h LEU 33 N 0.60 -1.05 -1.65 1.33 3.38 -1.93 1.12 115.31 117.11 1e0h h LEU 33 Ca 0.60 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.77 1e0h h LEU 33 Cb 1.07 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 42.14 1e0h h LEU 33 CO -0.45 -0.53 0.41 0.58 0.09 0.00 0.00 178.44 178.53 1e0h h VAL 34 N -0.79 0.88 0.07 1.22 2.07 -1.21 0.29 116.25 118.78 1e0h h VAL 34 Ca -0.03 -0.14 -0.25 0.00 0.82 0.00 0.00 66.70 67.10 1e0h h VAL 34 Cb 0.71 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1e0h h VAL 34 CO -0.07 0.07 -1.10 0.50 0.02 0.00 0.00 177.57 177.00 1e0h h LYS 35 N 0.39 0.35 0.00 1.57 3.64 0.51 -1.78 116.57 121.25 1e0h h LYS 35 Ca 0.28 -0.47 -0.16 0.00 -1.27 0.00 0.00 60.65 59.03 1e0h h LYS 35 Cb 0.58 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1e0h h LYS 35 CO -0.08 1.17 -0.79 -0.07 -2.27 0.00 0.00 179.45 177.42 1e0h h LEU 36 N 0.16 0.00 0.29 5.20 3.38 0.19 0.34 115.31 124.86 1e0h h LEU 36 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1e0h h LEU 36 Cb 1.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 1e0h h LEU 36 CO 0.19 0.79 -0.19 0.58 0.09 0.00 0.00 178.44 179.89 1e0h h VAL 37 N 0.00 0.60 -0.01 1.22 2.07 -0.32 -0.53 116.25 119.28 1e0h h VAL 37 Ca -0.01 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 1e0h h VAL 37 Cb 1.39 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1e0h h VAL 37 CO 0.10 0.00 -0.79 0.74 0.02 0.00 0.00 177.57 177.64 1e0h h THR 38 N -0.47 1.49 -0.62 2.57 2.02 -1.15 -0.84 112.91 115.91 1e0h h THR 38 Ca -0.03 -2.49 -0.01 0.00 0.77 0.00 0.00 66.41 64.65 1e0h h THR 38 Cb 0.40 2.36 -0.03 0.00 -1.74 0.00 0.00 68.15 69.14 1e0h h THR 38 CO 0.02 0.72 0.36 -0.74 0.37 0.00 0.00 175.52 176.25 1e0h h HIS 39 N 0.09 0.82 0.45 3.16 6.17 -0.29 -0.21 115.15 125.33 1e0h h HIS 39 Ca -0.03 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.04 1e0h h HIS 39 Cb 1.38 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 31.03 1e0h h HIS 39 CO 0.02 0.56 -0.32 0.35 0.71 0.00 0.00 177.93 179.25 1e0h h PHE 40 N 0.85 -0.85 -1.14 5.26 3.04 0.36 0.92 116.94 125.39 1e0h h PHE 40 Ca 0.22 -0.00 0.32 0.00 3.98 0.00 0.00 57.97 62.49 1e0h h PHE 40 Cb -0.01 0.31 -0.10 0.00 2.56 0.00 0.00 35.95 38.72 1e0h h PHE 40 CO 0.00 -0.48 0.75 0.93 -2.02 0.00 0.00 178.31 177.49 1e0h h GLU 41 N -0.75 0.25 0.00 1.11 5.08 -1.00 -2.54 114.58 116.73 1e0h h GLU 41 Ca -0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1e0h h GLU 41 Cb 0.64 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1e0h h GLU 41 CO 0.02 0.17 -0.03 1.49 -1.00 0.00 0.00 179.01 179.65 1e0h h GLU 42 N 0.26 0.00 -0.62 2.33 4.22 -0.71 -3.37 114.58 116.69 1e0h h GLU 42 Ca 0.65 0.00 0.11 0.00 0.08 0.00 0.00 59.36 60.20 1e0h h GLU 42 Cb 1.90 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.07 1e0h h GLU 42 CO -0.29 0.46 0.20 0.52 -2.18 0.00 0.00 179.01 177.71 1e0h h MET 43 N -1.00 0.34 -0.02 1.92 2.86 -0.37 -2.90 114.93 115.76 1e0h h MET 43 Ca -0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1e0h h MET 43 Cb 0.48 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1e0h h MET 43 CO -0.00 0.22 -0.25 -2.37 1.06 0.00 0.00 176.91 175.57 1e0h n THR 44 N -5.05 0.00 -2.89 2.22 5.66 -1.24 -4.28 114.28 108.70 1e0h n THR 44 Ca 0.10 -0.37 -0.18 0.00 -3.05 0.00 0.00 64.05 60.54 1e0h n THR 44 Cb 0.31 1.30 -0.00 0.00 -1.55 0.00 0.00 70.33 70.39 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 0.39 -2.99 -2.83 1.09 2.13 -1.10 -4.92 120.64 112.42 1e0h n GLU 45 Ca 0.09 0.56 -0.41 0.00 0.66 0.00 0.00 57.16 58.06 1e0h n GLU 45 Cb 0.44 -5.23 -0.04 0.00 0.27 0.00 0.00 31.44 26.89 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 -2.79 3.60 0.07 4.31 2.46 -1.26 -4.96 115.29 116.72 1e0h s HIS 46 Ca 0.20 1.51 -0.10 0.00 0.47 0.00 0.00 55.06 57.14 1e0h s HIS 46 Cb -0.10 -3.02 0.02 0.00 -0.13 0.00 0.00 32.58 29.34 1e0h s HIS 46 CO 0.25 -0.02 0.62 -2.30 -2.47 0.00 0.00 174.74 170.81 1e0h n PRO 47 N 4.09 -0.14 -2.57 2.88 -0.02 -1.26 -3.62 135.00 134.35 1e0h n PRO 47 Ca 0.04 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.82 1e0h n PRO 47 Cb 0.51 -0.89 -0.00 0.00 -0.02 0.00 0.00 33.50 33.09 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 -4.53 5.44 0.00 2.55 7.64 -1.26 -4.95 113.62 118.50 1e0h n SER 48 Ca 0.02 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.18 1e0h n SER 48 Cb 0.12 -0.68 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 -0.36 -3.21 0.00 0.23 0.00 -1.24 0.11 105.19 100.73 1e0h n GLY 49 Ca 0.40 0.60 0.06 0.00 0.00 0.00 0.00 46.02 47.08 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 -0.82 0.00 -0.48 1.61 7.64 -1.26 -3.26 113.62 117.05 1e0h n SER 50 Ca 0.00 0.16 0.06 0.00 1.01 0.00 0.00 58.87 60.10 1e0h n SER 50 Cb 0.00 -0.31 0.06 0.00 -1.01 0.00 0.00 64.21 62.95 1e0h n SER 50 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1e0h n ASP 51 N -1.31 2.06 -2.38 6.43 9.92 -0.33 -3.07 116.55 127.87 1e0h n ASP 51 Ca 0.05 -1.53 -0.17 0.00 -0.53 0.00 0.00 54.79 52.62 1e0h n ASP 51 Cb 0.10 -0.02 0.03 0.00 -0.64 0.00 0.00 41.12 40.59 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 0.64 3.66 0.00 0.64 -0.00 0.31 -4.04 117.00 118.22 1e0h n LEU 52 Ca 0.07 -4.27 0.00 0.00 -0.00 0.00 0.00 56.01 51.81 1e0h n LEU 52 Cb 0.30 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 1e0h n LEU 52 CO 0.07 1.79 -0.41 -0.38 -0.00 0.00 0.00 177.39 178.47 1e0h n ILE 53 N -0.58 0.00 -0.98 1.47 2.08 -1.18 -4.74 119.36 115.43 1e0h n ILE 53 Ca 0.30 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.61 1e0h n ILE 53 Cb 0.86 -0.53 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 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 -2.40 0.00 -0.11 1.39 4.02 -1.23 -4.86 117.16 113.96 1e0h n TYR 54 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 1e0h n TYR 54 Cb 0.41 0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.74 1e0h n TYR 54 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1e0h h TYR 55 N 0.00 0.47 -3.91 -0.72 -1.99 -1.79 -3.45 116.97 105.58 1e0h h TYR 55 Ca 0.00 0.01 -0.47 0.00 2.00 0.00 0.00 58.73 60.27 1e0h h TYR 55 Cb 0.30 -0.16 0.16 0.00 2.00 0.00 0.00 36.73 39.04 1e0h h TYR 55 CO 0.00 0.30 0.19 -1.25 -0.00 0.00 0.00 178.16 177.41 1e0h s PRO 56 N -6.13 0.67 0.00 4.88 0.04 -1.26 -4.65 135.00 128.55 1e0h s PRO 56 Ca -0.13 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1e0h s PRO 56 Cb 0.10 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1e0h s PRO 56 CO 0.72 -2.64 0.00 0.36 0.04 0.00 0.00 177.00 175.48 1e0h n LYS 57 N -4.16 0.00 -0.08 4.56 2.85 0.45 -4.84 118.16 116.94 1e0h n LYS 57 Ca 0.06 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.34 1e0h n LYS 57 Cb 0.55 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.98 1e0h n LYS 57 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1e0h n GLU 58 N 0.00 1.37 0.00 -1.58 4.07 -1.26 -4.20 120.64 119.04 1e0h n GLU 58 Ca 0.00 -0.41 0.00 0.00 -0.06 0.00 0.00 57.16 56.69 1e0h n GLU 58 Cb 0.00 -1.30 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 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 0.43 0.77 3.47 8.31 0.00 -1.26 -5.09 105.19 111.82 1e0h n GLY 59 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.52 5.11 -0.46 1.61 1.01 -1.26 -5.03 116.67 116.13 1e0h s ASP 60 Ca 0.00 -0.17 -0.28 0.00 0.71 0.00 0.00 52.55 52.81 1e0h s ASP 60 Cb 0.00 -1.90 -0.08 0.00 1.01 0.00 0.00 42.92 41.94 1e0h s ASP 60 CO 0.00 0.01 2.37 -0.67 0.21 0.00 0.00 175.17 177.10 1e0h n ASP 61 N 4.60 2.33 0.00 0.27 2.03 -1.26 -0.41 116.55 124.11 1e0h n ASP 61 Ca -0.16 -0.17 0.00 0.00 0.52 0.00 0.00 54.79 54.98 1e0h n ASP 61 Cb 0.52 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 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 13.73 0.01 -4.63 1.67 5.75 -1.26 -2.63 116.55 129.19 1e0h n ASP 62 Ca 0.39 -0.21 -0.31 0.00 -0.01 0.00 0.00 54.79 54.65 1e0h n ASP 62 Cb 0.44 0.06 0.17 0.00 -1.03 0.00 0.00 41.12 40.76 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 -0.06 -0.06 0.03 -1.12 7.64 -1.26 -4.16 113.62 114.62 1e0h n SER 63 Ca 0.00 0.36 0.01 0.00 1.01 0.00 0.00 58.87 60.26 1e0h n SER 63 Cb 0.04 -1.44 0.07 0.00 -1.01 0.00 0.00 64.21 61.88 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 -4.08 0.02 -0.05 1.43 -0.02 -1.26 -0.40 135.00 130.65 1e0h n PRO 64 Ca 0.11 0.39 -0.04 0.00 -2.02 0.00 0.00 63.50 61.94 1e0h n PRO 64 Cb 0.52 -1.73 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.48 1.06 -0.34 2.55 3.41 -1.26 -4.27 113.62 113.29 1e0h n SER 65 Ca -0.00 0.34 0.26 0.00 -0.26 0.00 0.00 58.87 59.21 1e0h n SER 65 Cb 0.17 -0.68 0.55 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.57 1.10 0.93 5.00 0.00 -1.01 0.66 103.07 109.19 1e0h h GLY 66 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1e0h h GLY 66 CO 0.00 -0.15 0.06 0.16 0.00 0.00 0.00 176.54 176.60 1e0h h ILE 67 N 0.32 1.24 0.00 2.60 3.07 -0.83 0.60 117.51 124.51 1e0h h ILE 67 Ca 0.62 -0.87 -0.02 0.00 1.55 0.00 0.00 64.86 66.14 1e0h h ILE 67 Cb 1.71 1.05 -0.00 0.00 -0.27 0.00 0.00 36.82 39.31 1e0h h ILE 67 CO -0.28 0.30 -0.09 0.58 -1.05 0.00 0.00 178.15 177.60 1e0h h VAL 68 N 0.50 0.22 -0.10 0.16 2.07 -0.91 0.15 116.25 118.34 1e0h h VAL 68 Ca 0.12 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.67 1e0h h VAL 68 Cb 0.37 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1e0h h VAL 68 CO 0.01 0.09 -0.47 0.78 0.02 0.00 0.00 177.57 178.00 1e0h h ASN 69 N 0.00 0.27 0.04 0.57 2.35 0.69 -1.94 115.58 117.56 1e0h h ASN 69 Ca -0.00 -0.13 -0.20 0.00 -0.55 0.00 0.00 56.30 55.43 1e0h h ASN 69 Cb 0.70 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1e0h h ASN 69 CO 0.01 0.71 -0.72 0.74 -1.65 0.00 0.00 177.43 176.52 1e0h h THR 70 N 0.20 1.33 -0.48 2.81 2.02 0.23 0.16 112.91 119.17 1e0h h THR 70 Ca 0.01 -2.01 0.05 0.00 0.77 0.00 0.00 66.41 65.23 1e0h h THR 70 Cb 0.91 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 69.27 1e0h h THR 70 CO 0.07 0.62 0.23 0.58 0.37 0.00 0.00 175.52 177.40 1e0h h VAL 71 N 0.42 0.94 0.00 3.16 2.07 -1.55 -0.84 116.25 120.45 1e0h h VAL 71 Ca -0.03 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1e0h h VAL 71 Cb 1.31 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1e0h h VAL 71 CO 0.14 0.08 0.00 0.29 0.02 0.00 0.00 177.57 178.10 1e0h n LYS 72 N -4.91 0.02 -0.01 1.57 4.01 0.02 0.70 118.16 119.55 1e0h n LYS 72 Ca 0.04 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.82 1e0h n LYS 72 Cb 0.14 -1.27 -0.01 0.00 -0.51 0.00 0.00 35.03 33.38 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 -0.77 0.05 0.22 1.97 6.02 -0.60 -3.86 117.38 120.41 1e0h n GLN 73 Ca 0.00 0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 1e0h n GLN 73 Cb 0.00 -0.78 -0.04 0.00 1.02 0.00 0.00 30.24 30.44 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 -0.04 -0.54 0.00 1.08 7.01 -0.32 0.22 115.95 123.36 1e0h h TRP 74 Ca -0.05 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1e0h h TRP 74 Cb 1.06 0.18 0.00 0.00 -2.10 0.00 0.00 29.16 28.29 1e0h h TRP 74 CO -0.00 -0.33 0.00 0.54 -2.79 0.00 0.00 178.44 175.85 1e0h n ARG 75 N -3.78 0.04 -0.03 2.65 1.74 0.22 0.01 116.66 117.51 1e0h n ARG 75 Ca -0.07 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.00 1e0h n ARG 75 Cb 0.23 -1.44 -0.08 0.00 -1.02 0.00 0.00 32.46 30.15 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 -0.94 2.02 -0.01 7.54 0.00 -1.10 -0.16 120.51 127.86 1e0h n ALA 76 Ca 0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.74 1e0h n ALA 76 Cb 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.17 0.94 0.47 0.00 0.00 0.75 -2.79 120.51 117.71 1e0h n ALA 77 Ca -0.10 -0.64 0.11 0.00 0.00 0.00 0.00 53.44 52.81 1e0h n ALA 77 Cb 0.60 -0.61 0.46 0.00 0.00 0.00 0.00 19.45 19.90 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 -3.50 0.56 -0.54 0.00 2.85 0.10 -4.92 115.26 109.81 1e0h n ASN 78 Ca -0.34 0.62 -0.07 0.00 -0.11 0.00 0.00 54.58 54.68 1e0h n ASN 78 Cb 1.03 -0.75 -0.03 0.00 1.24 0.00 0.00 39.78 41.27 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 0.24 0.90 0.33 8.20 0.00 -1.12 -4.88 105.19 108.87 1e0h n GLY 79 Ca 0.03 -0.48 0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 0.13 0.04 0.00 1.61 1.79 -0.78 -3.46 116.57 115.90 1e0h h LYS 80 Ca -0.14 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1e0h h LYS 80 Cb 0.56 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1e0h h LYS 80 CO 0.21 0.03 0.00 0.43 -1.08 0.00 0.00 179.45 179.04 1e0h n SER 81 N -5.43 0.00 -0.00 0.86 7.64 -0.95 -4.90 113.62 110.84 1e0h n SER 81 Ca 0.22 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.10 1e0h n SER 81 Cb 0.73 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.93 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 0.48 3.99 0.23 0.00 -1.26 -5.00 105.19 103.63 1e0h n GLY 82 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.99 1.60 0.52 1.61 0.08 -1.25 -3.01 117.98 115.54 1e0h s PHE 83 Ca 0.00 -0.30 -0.08 0.00 0.12 0.00 0.00 56.93 56.67 1e0h s PHE 83 Cb 0.00 -2.94 0.12 0.00 -0.57 0.00 0.00 43.02 39.63 1e0h s PHE 83 CO 0.00 -1.66 0.71 1.17 -0.10 0.00 0.00 175.22 175.34 1e0h n LYS 84 N -2.79 -0.61 0.09 0.44 4.81 -0.60 -4.91 118.16 114.59 1e0h n LYS 84 Ca 0.15 -1.17 0.00 0.00 -0.87 0.00 0.00 58.31 56.42 1e0h n LYS 84 Cb 0.61 -0.71 0.00 0.00 0.02 0.00 0.00 35.03 34.95 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 -2.49 0.00 0.00 1.64 0.00 -1.26 -4.06 117.38 111.22 1e0h n GLN 85 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 1e0h n GLN 85 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 30.24 30.50 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47