#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 4.71 -1.26 -5.12 120.64 122.14 1e0h n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1e0h n GLU 2 Cb 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 31.44 30.00 1e0h n GLU 2 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1e0h n LEU 3 N 0.00 0.00 0.00 -4.62 4.77 -1.26 -4.99 117.00 110.90 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 0.29 -1.33 0.00 0.00 177.39 176.35 1e0h n LYS 4 N 0.00 -2.13 0.12 3.23 4.01 -1.26 -4.66 118.16 117.47 1e0h n LYS 4 Ca 0.00 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.88 1e0h n LYS 4 Cb 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 35.03 34.54 1e0h n LYS 4 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1e0h h HIS 5 N 0.00 0.00 -4.22 2.13 3.86 -2.01 -3.47 115.15 111.44 1e0h h HIS 5 Ca 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 1e0h h HIS 5 Cb 0.00 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.32 1e0h h HIS 5 CO 0.00 0.21 -0.67 -1.54 0.86 0.00 0.00 177.93 176.79 1e0h s SER 6 N -5.82 0.47 0.00 2.45 1.04 -1.26 -5.01 113.70 105.58 1e0h s SER 6 Ca 0.01 -0.98 0.06 0.00 0.48 0.00 0.00 55.95 55.53 1e0h s SER 6 Cb 0.08 0.20 0.35 0.00 0.10 0.00 0.00 66.02 66.76 1e0h s SER 6 CO 0.76 -0.60 0.94 0.00 0.98 0.00 0.00 173.24 175.32 1e0h n ILE 7 N 0.13 0.41 0.00 -1.02 3.06 -1.26 -3.52 119.36 117.16 1e0h n ILE 7 Ca -0.14 0.10 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 1e0h n ILE 7 Cb 0.61 -1.00 0.00 0.00 0.54 0.00 0.00 39.64 39.79 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 -1.13 0.04 0.20 9.51 3.41 -1.26 -4.14 113.62 120.25 1e0h n SER 8 Ca 0.04 -0.06 0.14 0.00 -0.26 0.00 0.00 58.87 58.73 1e0h n SER 8 Cb 0.03 0.12 0.40 0.00 -0.26 0.00 0.00 64.21 64.51 1e0h n SER 8 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1e0h h ASP 9 N 0.00 0.00 -1.16 4.04 5.19 -1.86 -3.40 116.42 119.23 1e0h h ASP 9 Ca 0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 1e0h h ASP 9 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1e0h h ASP 9 CO 0.00 0.00 -0.31 -0.72 -3.12 0.00 0.00 179.24 175.09 1e0h s TYR 10 N -3.33 2.24 0.58 4.55 -0.85 -1.25 -5.02 117.35 114.26 1e0h s TYR 10 Ca 0.06 -0.61 0.08 0.00 -0.52 0.00 0.00 57.07 56.07 1e0h s TYR 10 Cb 0.08 -2.12 0.08 0.00 0.38 0.00 0.00 41.96 40.38 1e0h s TYR 10 CO 0.58 -0.37 0.67 0.25 -1.52 0.00 0.00 175.55 175.16 1e0h n THR 11 N -1.72 0.00 0.13 -3.49 -2.24 -1.26 -3.58 114.28 102.11 1e0h n THR 11 Ca 0.04 -2.07 -0.01 0.00 -2.27 0.00 0.00 64.05 59.74 1e0h n THR 11 Cb 0.62 -0.32 0.12 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.00 0.00 -0.78 4.81 -1.75 -1.98 114.58 114.88 1e0h h GLU 12 Ca -0.31 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.73 1e0h h GLU 12 Cb 1.28 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1e0h h GLU 12 CO 0.46 0.66 -1.05 0.00 -0.73 0.00 0.00 179.01 178.35 1e0h h ALA 13 N 1.34 0.56 -0.48 2.92 0.00 -1.91 -2.33 119.26 119.36 1e0h h ALA 13 Ca -0.01 -0.87 0.08 0.00 0.00 0.00 0.00 54.91 54.10 1e0h h ALA 13 Cb 1.25 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1e0h h ALA 13 CO 0.09 1.09 0.13 1.49 0.00 0.00 0.00 179.25 182.04 1e0h h GLU 14 N 0.00 0.27 0.00 0.00 4.57 -1.87 0.07 114.58 117.61 1e0h h GLU 14 Ca -0.08 -0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 57.87 1e0h h GLU 14 Cb 1.68 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 30.21 1e0h h GLU 14 CO 0.09 0.18 -0.93 0.35 -1.18 0.00 0.00 179.01 177.52 1e0h h PHE 15 N 0.28 0.51 -0.37 0.92 3.57 -1.40 -2.87 116.94 117.56 1e0h h PHE 15 Ca 0.24 -0.28 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1e0h h PHE 15 Cb 0.29 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1e0h h PHE 15 CO -0.20 1.10 -0.01 1.25 -2.23 0.00 0.00 178.31 178.22 1e0h h LEU 16 N 0.19 0.56 -0.89 0.59 5.85 -0.95 -0.18 115.31 120.48 1e0h h LEU 16 Ca -0.07 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 1e0h h LEU 16 Cb 1.56 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 1e0h h LEU 16 CO 0.15 0.64 0.14 -0.61 -0.34 0.00 0.00 178.44 178.42 1e0h h GLN 17 N 0.56 0.95 -0.00 1.25 4.15 -1.02 0.34 115.11 121.35 1e0h h GLN 17 Ca 0.12 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1e0h h GLN 17 Cb 0.38 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 1e0h h GLN 17 CO 0.01 0.86 0.00 1.25 -1.93 0.00 0.00 178.83 179.02 1e0h h LEU 18 N 0.91 0.00 -0.72 -2.39 7.12 -0.84 0.13 115.31 119.52 1e0h h LEU 18 Ca 0.19 -0.26 0.11 0.00 0.13 0.00 0.00 57.88 58.06 1e0h h LEU 18 Cb 0.34 -0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.39 1e0h h LEU 18 CO 0.00 0.26 0.32 0.58 -0.13 0.00 0.00 178.44 179.48 1e0h h VAL 19 N -0.26 0.77 0.00 1.05 2.07 -1.08 -0.90 116.25 117.90 1e0h h VAL 19 Ca 0.00 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1e0h h VAL 19 Cb 0.26 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1e0h h VAL 19 CO 0.00 0.10 -0.35 0.00 0.02 0.00 0.00 177.57 177.34 1e0h h THR 20 N 0.52 1.09 0.00 2.57 1.03 -0.33 0.17 112.91 117.97 1e0h h THR 20 Ca 0.37 -1.26 -0.07 0.00 -0.01 0.00 0.00 66.41 65.44 1e0h h THR 20 Cb 0.47 1.71 -0.01 0.00 -1.07 0.00 0.00 68.15 69.25 1e0h h THR 20 CO -0.32 0.34 -0.32 0.74 -0.01 0.00 0.00 175.52 175.95 1e0h h THR 21 N 0.00 1.06 0.04 0.00 2.02 0.63 0.69 112.91 117.35 1e0h h THR 21 Ca -0.00 -1.15 -0.15 0.00 0.77 0.00 0.00 66.41 65.88 1e0h h THR 21 Cb 0.68 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1e0h h THR 21 CO 0.05 0.31 -0.78 0.40 0.37 0.00 0.00 175.52 175.86 1e0h h ILE 22 N 0.00 1.32 0.00 3.11 2.04 -0.54 0.48 117.51 123.92 1e0h h ILE 22 Ca -0.00 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1e0h h ILE 22 Cb 0.62 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1e0h h ILE 22 CO 0.04 0.54 0.01 0.00 0.00 0.00 0.00 178.15 178.74 1e0h n ASN 24 N -1.25 1.34 -2.35 0.00 5.15 0.23 -5.01 115.26 113.38 1e0h n ASN 24 Ca 0.00 -0.43 -0.11 0.00 -0.60 0.00 0.00 54.58 53.44 1e0h n ASN 24 Cb 0.01 1.08 -0.01 0.00 -0.53 0.00 0.00 39.78 40.33 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 -1.31 -0.75 0.00 5.20 0.00 0.16 -4.81 120.51 119.01 1e0h n ALA 25 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1e0h n ALA 25 Cb 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.63 0.00 -1.72 0.00 2.03 -0.93 -4.34 116.55 109.96 1e0h n ASP 26 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1e0h n ASP 26 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 -0.05 0.00 0.29 5.18 -2.24 -1.26 -4.98 114.28 111.21 1e0h n THR 27 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 1e0h n THR 27 Cb 0.00 -0.17 0.73 0.00 -2.10 0.00 0.00 70.33 68.79 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 -3.45 113.55 116.21 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 -1.20 -0.87 0.00 0.00 176.83 174.76 1e0h n SER 29 N -2.99 0.00 0.00 4.97 7.64 -1.26 -4.78 113.62 117.20 1e0h n SER 29 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1e0h n SER 29 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.76 0.00 -0.01 1.43 2.13 -1.26 -4.94 120.64 117.23 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 -0.08 -0.01 0.00 0.27 0.00 0.00 31.44 31.62 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 0.17 0.17 5.31 2.13 -1.26 -3.02 120.64 124.14 1e0h n GLU 31 Ca 0.00 0.07 0.18 0.00 0.66 0.00 0.00 57.16 58.07 1e0h n GLU 31 Cb 0.18 -0.72 0.76 0.00 0.27 0.00 0.00 31.44 31.93 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 -0.32 0.00 0.39 5.31 4.39 -1.95 0.22 114.58 122.62 1e0h h GLU 32 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1e0h h GLU 32 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1e0h h GLU 32 CO 0.00 0.00 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.59 1e0h h LEU 33 N 0.00 -0.44 -2.05 1.33 3.38 -1.92 0.70 115.31 116.31 1e0h h LEU 33 Ca 0.13 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1e0h h LEU 33 Cb 0.96 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1e0h h LEU 33 CO -0.00 -0.06 0.21 0.58 0.09 0.00 0.00 178.44 179.25 1e0h h VAL 34 N -0.89 0.78 0.14 1.22 2.07 -1.24 0.19 116.25 118.53 1e0h h VAL 34 Ca -0.05 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.14 1e0h h VAL 34 Cb 0.55 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1e0h h VAL 34 CO 0.09 0.00 -1.65 0.50 0.02 0.00 0.00 177.57 176.53 1e0h h LYS 35 N 0.00 0.29 0.00 1.57 3.64 -0.40 -2.31 116.57 119.36 1e0h h LYS 35 Ca 0.13 -0.49 -0.14 0.00 -1.27 0.00 0.00 60.65 58.88 1e0h h LYS 35 Cb 0.54 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1e0h h LYS 35 CO -0.00 1.16 -0.66 -0.07 -2.27 0.00 0.00 179.45 177.61 1e0h h LEU 36 N 0.08 0.00 0.01 5.20 3.38 0.81 0.71 115.31 125.50 1e0h h LEU 36 Ca -0.29 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1e0h h LEU 36 Cb 2.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.77 1e0h h LEU 36 CO 0.16 0.66 -0.14 0.58 0.09 0.00 0.00 178.44 179.79 1e0h h VAL 37 N 0.00 0.66 -0.25 1.22 2.07 -0.64 -1.53 116.25 117.77 1e0h h VAL 37 Ca -0.01 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 1e0h h VAL 37 Cb 1.19 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1e0h h VAL 37 CO 0.09 0.00 -0.38 0.74 0.02 0.00 0.00 177.57 178.03 1e0h h THR 38 N -0.24 1.29 -0.08 2.57 2.02 -1.07 0.16 112.91 117.56 1e0h h THR 38 Ca 0.04 -1.53 0.02 0.00 0.77 0.00 0.00 66.41 65.72 1e0h h THR 38 Cb 0.29 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1e0h h THR 38 CO -0.13 0.49 0.08 0.45 0.37 0.00 0.00 175.52 176.77 1e0h h HIS 39 N 0.48 0.00 0.64 3.16 -0.00 -0.59 0.27 115.15 119.11 1e0h h HIS 39 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 1e0h h HIS 39 Cb 0.88 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.29 1e0h h HIS 39 CO 0.04 0.00 -0.31 0.35 -0.00 0.00 0.00 177.93 178.01 1e0h h PHE 40 N 0.00 -0.80 -0.95 2.45 3.04 0.33 -2.83 116.94 118.17 1e0h h PHE 40 Ca 0.04 -0.02 0.27 0.00 3.98 0.00 0.00 57.97 62.24 1e0h h PHE 40 Cb 0.19 0.26 -0.05 0.00 2.56 0.00 0.00 35.95 38.92 1e0h h PHE 40 CO 0.00 -0.50 0.67 0.93 -2.02 0.00 0.00 178.31 177.39 1e0h h GLU 41 N -1.20 0.09 0.11 1.11 5.08 -0.45 -1.73 114.58 117.58 1e0h h GLU 41 Ca -0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1e0h h GLU 41 Cb 0.66 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1e0h h GLU 41 CO 0.14 0.06 -0.05 1.49 -1.00 0.00 0.00 179.01 179.65 1e0h h GLU 42 N 0.09 -0.14 -0.86 2.33 4.22 -0.61 -3.33 114.58 116.28 1e0h h GLU 42 Ca 0.47 0.01 0.19 0.00 0.08 0.00 0.00 59.36 60.10 1e0h h GLU 42 Cb 1.70 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.92 1e0h h GLU 42 CO -0.05 -0.09 0.57 0.52 -2.18 0.00 0.00 179.01 177.77 1e0h h MET 43 N -0.31 0.39 -0.00 1.92 2.86 -1.05 -2.25 114.93 116.49 1e0h h MET 43 Ca -0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1e0h h MET 43 Cb 0.11 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1e0h h MET 43 CO 0.02 0.26 -0.35 -2.37 1.06 0.00 0.00 176.91 175.53 1e0h n THR 44 N -4.50 0.00 -3.92 2.22 5.66 -1.13 -4.12 114.28 108.49 1e0h n THR 44 Ca 0.18 -0.32 -0.26 0.00 -3.05 0.00 0.00 64.05 60.59 1e0h n THR 44 Cb 0.65 1.02 -0.00 0.00 -1.55 0.00 0.00 70.33 70.45 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 -1.03 -3.89 -4.66 1.09 2.13 -0.85 -4.94 120.64 108.49 1e0h n GLU 45 Ca 0.02 0.47 -0.30 0.00 0.66 0.00 0.00 57.16 58.02 1e0h n GLU 45 Cb 0.14 -4.84 -0.14 0.00 0.27 0.00 0.00 31.44 26.87 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 -3.76 2.32 0.07 4.31 2.46 -1.26 -5.08 115.29 114.35 1e0h s HIS 46 Ca 0.14 -0.40 -0.13 0.00 0.47 0.00 0.00 55.06 55.15 1e0h s HIS 46 Cb -0.08 -1.33 -0.03 0.00 -0.13 0.00 0.00 32.58 31.02 1e0h s HIS 46 CO 0.87 0.23 1.15 -2.30 -2.47 0.00 0.00 174.74 172.21 1e0h n PRO 47 N 1.36 -0.19 -1.26 2.88 -0.02 -1.26 -3.58 135.00 132.93 1e0h n PRO 47 Ca -0.17 1.13 -0.25 0.00 -2.02 0.00 0.00 63.50 62.19 1e0h n PRO 47 Cb 0.52 -1.68 0.14 0.00 -0.02 0.00 0.00 33.50 32.46 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 -3.97 5.01 0.00 2.55 7.64 -1.26 -4.89 113.62 118.70 1e0h n SER 48 Ca 0.01 -3.71 0.00 0.00 1.01 0.00 0.00 58.87 56.18 1e0h n SER 48 Cb 0.11 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 -1.04 0.00 1.24 0.23 0.00 -1.24 0.13 105.19 104.51 1e0h n GLY 49 Ca 0.57 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.64 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 -2.12 3.60 0.00 1.61 7.64 -1.26 -4.08 113.62 119.01 1e0h n SER 50 Ca 0.00 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1e0h n SER 50 Cb 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 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 0.59 0.00 -2.63 6.43 9.92 0.98 -4.45 116.55 127.38 1e0h n ASP 51 Ca 0.18 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 54.09 1e0h n ASP 51 Cb 0.72 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.23 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 6.64 0.00 0.64 -0.00 0.34 -2.48 117.00 122.14 1e0h n LEU 52 Ca 0.00 -4.83 0.00 0.00 -0.00 0.00 0.00 56.01 51.18 1e0h n LEU 52 Cb 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 1e0h n LEU 52 CO 0.00 1.86 -0.11 -0.38 -0.00 0.00 0.00 177.39 178.77 1e0h n ILE 53 N -0.60 0.00 0.09 1.47 2.08 -1.26 -4.65 119.36 116.49 1e0h n ILE 53 Ca 0.51 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.78 1e0h n ILE 53 Cb 0.47 0.37 0.00 0.00 -0.75 0.00 0.00 39.64 39.73 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 -0.39 -3.11 1.36 1.39 4.01 -1.26 -4.91 117.16 114.24 1e0h n TYR 54 Ca 0.00 0.63 0.14 0.00 -0.16 0.00 0.00 57.90 58.51 1e0h n TYR 54 Cb 0.00 1.82 0.64 0.00 -0.31 0.00 0.00 39.34 41.49 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 -2.86 0.00 0.00 -0.72 4.19 -1.23 -4.74 117.16 111.80 1e0h n TYR 55 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1e0h n TYR 55 Cb 0.00 -0.24 0.00 0.00 0.49 0.00 0.00 39.34 39.59 1e0h n TYR 55 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1e0h n PRO 56 N -1.14 2.26 0.00 2.98 -0.05 -1.03 -4.79 135.00 133.23 1e0h n PRO 56 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.58 1e0h n PRO 56 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.72 1e0h n PRO 56 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1e0h n LYS 57 N 0.00 0.00 0.00 0.54 4.81 -1.21 -4.82 118.16 117.48 1e0h n LYS 57 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1e0h n LYS 57 Cb 0.00 -0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 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 -2.00 1.69 -0.27 1.64 2.13 -1.26 -3.95 120.64 118.62 1e0h n GLU 58 Ca 0.00 -0.80 0.00 0.00 0.66 0.00 0.00 57.16 57.02 1e0h n GLU 58 Cb 0.00 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 30.54 1e0h n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1e0h n GLY 59 N 0.92 0.89 3.21 8.31 0.00 -1.26 -5.14 105.19 112.12 1e0h n GLY 59 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1e0h n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1e0h s ASP 60 N -0.03 0.29 0.25 1.61 -1.08 -1.25 -5.15 116.67 111.30 1e0h s ASP 60 Ca 0.00 -1.37 -0.06 0.00 -0.52 0.00 0.00 52.55 50.61 1e0h s ASP 60 Cb 0.00 0.34 -0.06 0.00 -1.46 0.00 0.00 42.92 41.75 1e0h s ASP 60 CO 0.00 -0.81 0.52 -0.62 0.52 0.00 0.00 175.17 174.77 1e0h s ASP 61 N -3.16 6.49 0.00 -0.34 2.15 -1.26 -3.35 116.67 117.19 1e0h s ASP 61 Ca 0.37 0.73 0.00 0.00 0.43 0.00 0.00 52.55 54.08 1e0h s ASP 61 Cb 0.07 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 1e0h s ASP 61 CO 0.11 -0.12 0.00 -0.67 -0.17 0.00 0.00 175.17 174.32 1e0h n ASP 62 N -0.59 0.00 0.00 -0.34 2.03 -1.26 -4.19 116.55 112.20 1e0h n ASP 62 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1e0h n ASP 62 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 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 -0.23 -0.17 -0.09 1.67 7.64 -1.26 0.45 113.62 121.64 1e0h n SER 63 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 1e0h n SER 63 Cb 0.00 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 63.87 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 0.67 0.00 1.43 -0.04 -1.26 -4.52 135.00 131.28 1e0h n PRO 64 Ca 0.00 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 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 -1.01 0.62 -0.26 3.54 3.41 -0.82 -4.33 113.62 114.77 1e0h n SER 65 Ca 0.15 0.00 0.24 0.00 -0.26 0.00 0.00 58.87 59.00 1e0h n SER 65 Cb 0.26 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.69 0.82 5.00 0.00 -0.94 0.31 103.07 108.96 1e0h h GLY 66 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 1e0h h GLY 66 CO 0.00 -0.04 -0.19 0.16 0.00 0.00 0.00 176.54 176.47 1e0h h ILE 67 N 0.28 1.33 0.00 2.60 3.07 -0.18 0.65 117.51 125.26 1e0h h ILE 67 Ca 0.50 -1.34 -0.02 0.00 1.55 0.00 0.00 64.86 65.55 1e0h h ILE 67 Cb 1.48 1.76 -0.00 0.00 -0.27 0.00 0.00 36.82 39.79 1e0h h ILE 67 CO -0.16 0.41 -0.07 0.58 -1.05 0.00 0.00 178.15 177.86 1e0h h VAL 68 N 0.14 0.18 -0.47 0.16 2.07 -1.64 0.81 116.25 117.49 1e0h h VAL 68 Ca 0.03 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.68 1e0h h VAL 68 Cb 0.73 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1e0h h VAL 68 CO 0.05 0.07 -0.12 -1.13 0.02 0.00 0.00 177.57 176.46 1e0h h ASN 69 N 0.00 0.87 -0.66 0.57 -0.73 -0.01 -1.93 115.58 113.69 1e0h h ASN 69 Ca -0.00 -0.27 -0.06 0.00 1.87 0.00 0.00 56.30 57.83 1e0h h ASN 69 Cb 0.65 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.97 1e0h h ASN 69 CO 0.01 1.00 0.18 0.74 -0.37 0.00 0.00 177.43 178.99 1e0h h THR 70 N 0.78 1.25 -0.07 -3.57 2.02 0.28 0.19 112.91 113.79 1e0h h THR 70 Ca 0.13 -0.92 0.02 0.00 0.77 0.00 0.00 66.41 66.40 1e0h h THR 70 Cb 0.64 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1e0h h THR 70 CO 0.04 0.35 -0.04 0.58 0.37 0.00 0.00 175.52 176.83 1e0h h VAL 71 N 1.02 0.88 0.00 3.16 2.07 -1.46 -1.78 116.25 120.14 1e0h h VAL 71 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1e0h h VAL 71 Cb 0.34 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1e0h h VAL 71 CO -0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 1e0h n LYS 72 N -5.16 0.00 0.02 1.57 4.01 0.65 0.79 118.16 120.04 1e0h n LYS 72 Ca -0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 1e0h n LYS 72 Cb 0.09 -1.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.17 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 -0.89 0.00 0.28 1.97 6.02 -1.03 -3.92 117.38 119.81 1e0h n GLN 73 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1e0h n GLN 73 Cb 0.00 -0.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.71 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 -0.67 -0.33 1.08 7.01 -0.74 0.20 115.95 122.50 1e0h h TRP 74 Ca 0.00 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.08 1e0h h TRP 74 Cb 0.70 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 1e0h h TRP 74 CO 0.00 -0.42 0.53 -0.09 -2.79 0.00 0.00 178.44 175.68 1e0h h ARG 75 N -0.72 0.00 0.00 2.65 2.43 0.14 0.35 114.38 119.23 1e0h h ARG 75 Ca -0.07 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1e0h h ARG 75 Cb 0.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1e0h h ARG 75 CO 0.12 0.00 -1.45 0.00 -1.51 0.00 0.00 179.97 177.13 1e0h n ALA 76 N -2.14 2.39 -0.06 2.80 0.00 -0.94 0.94 120.51 123.49 1e0h n ALA 76 Ca 0.06 -0.45 -0.15 0.00 0.00 0.00 0.00 53.44 52.90 1e0h n ALA 76 Cb 0.67 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.29 1.33 0.35 0.00 0.00 0.66 -2.96 120.51 117.60 1e0h n ALA 77 Ca -0.06 -0.95 0.14 0.00 0.00 0.00 0.00 53.44 52.57 1e0h n ALA 77 Cb 0.67 -0.45 0.50 0.00 0.00 0.00 0.00 19.45 20.16 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 0.02 0.00 -2.87 0.00 -0.00 -0.54 -3.47 115.58 108.71 1e0h h ASN 78 Ca -0.46 0.00 -0.40 0.00 -0.00 0.00 0.00 56.30 55.44 1e0h h ASN 78 Cb 2.05 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 40.34 1e0h h ASN 78 CO 0.03 0.00 -0.50 0.61 -0.00 0.00 0.00 177.43 177.57 1e0h n GLY 79 N 0.41 -0.24 0.36 1.57 0.00 -0.47 -4.85 105.19 101.96 1e0h n GLY 79 Ca 0.02 0.00 -0.03 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 -0.08 -1.33 1.61 1.79 0.31 -3.45 116.57 115.41 1e0h h LYS 80 Ca -0.47 0.01 0.24 0.00 -2.18 0.00 0.00 60.65 58.24 1e0h h LYS 80 Cb 1.35 0.02 -0.22 0.00 -1.58 0.00 0.00 32.23 31.80 1e0h h LYS 80 CO 0.57 -0.06 0.84 -1.12 -1.08 0.00 0.00 179.45 178.60 1e0h s SER 81 N -5.25 -0.12 -0.07 0.86 0.01 -1.26 -5.10 113.70 102.77 1e0h s SER 81 Ca -0.14 0.06 0.20 0.00 1.31 0.00 0.00 55.95 57.38 1e0h s SER 81 Cb 0.18 0.12 0.37 0.00 0.21 0.00 0.00 66.02 66.90 1e0h s SER 81 CO 0.71 -0.17 1.15 0.61 0.41 0.00 0.00 173.24 175.95 1e0h n GLY 82 N 0.19 1.11 7.00 3.44 0.00 -1.26 -4.83 105.19 110.84 1e0h n GLY 82 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.09 0.00 -3.59 1.61 3.01 -1.26 -4.80 117.46 112.52 1e0h n PHE 83 Ca -0.01 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.40 1e0h n PHE 83 Cb 0.99 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.44 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 0.50 0.03 -1.08 2.20 -1.24 -4.57 119.74 115.59 1e0h s LYS 84 Ca 0.00 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 1e0h s LYS 84 Cb 0.00 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1e0h s LYS 84 CO 0.00 -0.22 0.00 1.04 -0.36 0.00 0.00 175.35 175.81 1e0h n GLN 85 N -0.21 0.00 0.00 4.03 6.02 -1.26 -2.22 117.38 123.73 1e0h n GLN 85 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1e0h n GLN 85 Cb 0.60 -0.28 0.00 0.00 1.02 0.00 0.00 30.24 31.58 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46