#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1l s ILE 2 N 0.00 5.10 -0.09 -0.61 -4.36 -1.26 -4.94 121.20 115.04 3h1l s ILE 2 Ca 0.00 1.06 0.01 0.00 -0.26 0.00 0.00 60.65 61.46 3h1l s ILE 2 Cb 0.00 -3.88 0.00 0.00 1.25 0.00 0.00 42.46 39.83 3h1l s ILE 2 CO 0.00 0.20 0.49 1.41 0.24 0.00 0.00 174.94 177.28 3h1l n HIS 3 N 4.48 0.00 -2.89 1.37 8.25 -1.26 -4.90 115.22 120.27 3h1l n HIS 3 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.98 3h1l n HIS 3 Cb 0.51 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 3h1l n HIS 3 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1l s PHE 4 N -0.13 2.91 0.00 4.41 2.99 -1.26 -3.40 117.98 123.50 3h1l s PHE 4 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 56.93 55.93 3h1l s PHE 4 Cb 0.01 -4.29 0.00 0.00 0.00 0.00 0.00 43.02 38.74 3h1l s PHE 4 CO 0.01 -1.56 0.00 0.41 -0.00 0.00 0.00 175.22 174.08 3h1l n GLY 5 N 5.47 0.82 0.21 4.36 0.00 -1.26 -4.99 105.19 109.80 3h1l n GLY 5 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3h1l n GLY 5 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h1l n ASN 6 N 0.00 1.85 0.00 1.61 3.02 -1.23 -4.87 115.26 115.64 3h1l n ASN 6 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3h1l n ASN 6 Cb 0.00 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 3h1l n ASN 6 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h1l n LEU 7 N -3.84 0.00 -4.01 3.41 4.77 -1.22 -4.71 117.00 111.40 3h1l n LEU 7 Ca -0.46 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.43 3h1l n LEU 7 Cb 0.86 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.90 3h1l n LEU 7 CO 0.08 0.00 0.14 0.00 -1.33 0.00 0.00 177.39 176.28 3h1l s ALA 8 N 0.00 -0.14 -0.29 -1.18 0.00 -1.26 -5.14 121.76 113.75 3h1l s ALA 8 Ca 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 3h1l s ALA 8 Cb 0.00 1.09 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 3h1l s ALA 8 CO 0.00 -0.83 0.25 0.50 0.00 0.00 0.00 175.76 175.68 3h1l s ARG 9 N -4.03 3.89 -0.02 0.00 3.52 -1.26 -5.07 118.95 115.98 3h1l s ARG 9 Ca 0.23 -0.28 0.04 0.00 -0.13 0.00 0.00 55.73 55.59 3h1l s ARG 9 Cb -0.00 -3.68 -0.00 0.00 -1.56 0.00 0.00 34.95 29.70 3h1l s ARG 9 CO 0.09 -0.25 -0.13 0.08 -0.81 0.00 0.00 175.30 174.28 3h1l s VAL 10 N 1.84 1.08 0.02 7.11 1.01 -1.26 -5.15 120.40 125.05 3h1l s VAL 10 Ca 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3h1l s VAL 10 Cb -0.16 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3h1l s VAL 10 CO 0.11 0.32 -0.03 -0.13 0.00 0.00 0.00 175.10 175.36 3h1l s ARG 11 N -0.08 0.28 -0.96 2.72 0.52 -1.26 -4.94 118.95 115.24 3h1l s ARG 11 Ca 0.01 -0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 54.69 3h1l s ARG 11 Cb -0.08 -0.00 0.01 0.00 0.52 0.00 0.00 34.95 35.39 3h1l s ARG 11 CO 0.00 -0.02 0.83 0.72 0.02 0.00 0.00 175.30 176.86 3h1l n HIS 12 N 1.97 -1.97 -3.97 -0.53 8.25 -1.26 -5.03 115.22 112.68 3h1l n HIS 12 Ca -0.21 0.72 -0.26 0.00 -0.26 0.00 0.00 57.72 57.71 3h1l n HIS 12 Cb 0.56 -4.00 -0.17 0.00 1.12 0.00 0.00 29.99 27.50 3h1l n HIS 12 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h1l s ILE 13 N -3.24 1.01 -0.10 1.59 1.01 -1.26 -5.11 121.20 115.10 3h1l s ILE 13 Ca 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 3h1l s ILE 13 Cb -0.14 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3h1l s ILE 13 CO 0.53 0.36 0.05 -0.63 0.00 0.00 0.00 174.94 175.25 3h1l s ILE 14 N 1.61 4.70 -0.03 2.92 1.01 -1.26 -5.10 121.20 125.05 3h1l s ILE 14 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3h1l s ILE 14 Cb -0.13 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.35 3h1l s ILE 14 CO -0.07 0.60 -0.05 0.42 0.00 0.00 0.00 174.94 175.85 3h1l s THR 15 N -0.87 0.51 -0.05 2.92 -4.23 -1.26 -5.14 115.64 107.52 3h1l s THR 15 Ca 0.13 -0.16 0.04 0.00 -1.18 0.00 0.00 61.69 60.53 3h1l s THR 15 Cb -0.12 -0.50 -0.02 0.00 1.34 0.00 0.00 72.50 73.20 3h1l s THR 15 CO 0.03 0.19 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.82 3h1l s TYR 16 N 0.57 2.62 0.04 3.99 1.51 -1.26 -5.13 117.35 119.69 3h1l s TYR 16 Ca -0.07 -0.27 -0.07 0.00 -1.01 0.00 0.00 57.07 55.65 3h1l s TYR 16 Cb -0.11 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.12 3h1l s TYR 16 CO 0.00 0.10 0.13 -1.12 -1.11 0.00 0.00 175.55 173.56 3h1l s SER 17 N -0.63 0.14 -0.02 2.29 0.01 -1.26 -5.17 113.70 109.06 3h1l s SER 17 Ca 0.09 -0.51 0.06 0.00 1.31 0.00 0.00 55.95 56.91 3h1l s SER 17 Cb -0.11 0.26 -0.02 0.00 0.21 0.00 0.00 66.02 66.36 3h1l s SER 17 CO 0.01 -0.55 -0.21 -0.76 0.41 0.00 0.00 173.24 172.14 3h1l s LEU 18 N -2.23 2.39 0.89 2.44 1.43 -1.26 -5.12 118.68 117.23 3h1l s LEU 18 Ca -0.03 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 3h1l s LEU 18 Cb -0.00 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 3h1l s LEU 18 CO -0.05 0.32 0.19 -0.24 0.23 0.00 0.00 176.35 176.79 3h1l n SER 19 N 2.22 -2.68 0.18 2.29 2.88 -1.26 -4.86 113.62 112.39 3h1l n SER 19 Ca -0.17 0.37 0.04 0.00 -1.33 0.00 0.00 58.87 57.79 3h1l n SER 19 Cb 0.52 -1.11 0.34 0.00 -0.75 0.00 0.00 64.21 63.21 3h1l n SER 19 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h1l h PRO 20 N -1.14 0.00 0.00 -1.46 0.11 -2.00 -2.97 132.00 124.54 3h1l h PRO 20 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3h1l h PRO 20 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3h1l h PRO 20 CO 0.34 0.40 0.00 1.19 -0.21 0.00 0.00 178.00 179.73 3h1l n PHE 21 N -3.75 0.00 0.38 0.65 3.72 -1.26 -2.74 117.46 114.46 3h1l n PHE 21 Ca -0.01 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.49 3h1l n PHE 21 Cb 0.48 -0.32 -0.14 0.00 -0.94 0.00 0.00 39.48 38.56 3h1l n PHE 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3h1l n GLU 22 N -1.32 0.54 -4.52 -1.08 -0.58 -1.12 -5.02 120.64 107.55 3h1l n GLU 22 Ca 0.10 -0.11 -0.24 0.00 -0.42 0.00 0.00 57.16 56.49 3h1l n GLU 22 Cb 0.20 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.50 3h1l n GLU 22 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 3h1l s GLN 23 N -3.20 1.77 0.13 3.49 -2.07 -1.11 -5.05 119.66 113.62 3h1l s GLN 23 Ca -0.01 -1.98 -0.27 0.00 -1.82 0.00 0.00 55.36 51.27 3h1l s GLN 23 Cb 0.14 -1.21 -0.07 0.00 -1.09 0.00 0.00 33.01 30.78 3h1l s GLN 23 CO 0.84 -0.11 0.86 1.03 -1.32 0.00 0.00 175.29 176.59 3h1l s ARG 24 N -3.80 4.64 0.05 9.60 0.52 -1.26 -4.94 118.95 123.76 3h1l s ARG 24 Ca 0.35 1.28 -0.26 0.00 -0.52 0.00 0.00 55.73 56.58 3h1l s ARG 24 Cb 0.09 -3.33 -0.17 0.00 0.52 0.00 0.00 34.95 32.06 3h1l s ARG 24 CO 0.16 0.38 1.54 0.00 0.02 0.00 0.00 175.30 177.40 3h1l h ALA 25 N 5.01 -0.33 -2.21 2.13 0.00 -2.01 -3.36 119.26 118.50 3h1l h ALA 25 Ca -0.45 -0.12 -0.59 0.00 0.00 0.00 0.00 54.91 53.75 3h1l h ALA 25 Cb 1.21 0.13 -0.41 0.00 0.00 0.00 0.00 17.79 18.71 3h1l h ALA 25 CO 0.69 -0.62 -0.75 -0.89 0.00 0.00 0.00 179.25 177.69 3h1l n ILE 26 N -5.17 1.35 -2.52 0.00 5.41 -1.26 -5.11 119.36 112.06 3h1l n ILE 26 Ca -0.09 -4.81 -0.33 0.00 1.00 0.00 0.00 62.75 58.52 3h1l n ILE 26 Cb 0.20 -2.05 -0.04 0.00 -0.71 0.00 0.00 39.64 37.04 3h1l n ILE 26 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3h1l s PRO 27 N -1.97 3.84 -1.49 0.38 0.04 -1.26 -4.14 135.00 130.41 3h1l s PRO 27 Ca 0.37 1.23 -0.13 0.00 0.04 0.00 0.00 61.00 62.52 3h1l s PRO 27 Cb 0.14 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 32.63 3h1l s PRO 27 CO -0.06 -0.38 1.04 0.09 0.04 0.00 0.00 177.00 177.74 3h1l n ASN 28 N -1.12 -5.26 -0.42 6.66 3.02 -1.26 -4.67 115.26 112.20 3h1l n ASN 28 Ca 0.08 -0.72 0.35 0.00 -0.03 0.00 0.00 54.58 54.27 3h1l n ASN 28 Cb 0.53 -4.19 0.66 0.00 -0.61 0.00 0.00 39.78 36.18 3h1l n ASN 28 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h1l h ILE 29 N -2.26 0.28 0.00 2.41 5.03 -1.97 -0.15 117.51 120.85 3h1l h ILE 29 Ca -0.58 -0.04 -0.07 0.00 -0.12 0.00 0.00 64.86 64.05 3h1l h ILE 29 Cb 1.37 0.13 -0.01 0.00 -3.03 0.00 0.00 36.82 35.29 3h1l h ILE 29 CO 0.64 0.02 -1.04 0.49 -0.68 0.00 0.00 178.15 177.58 3h1l n PHE 30 N -4.45 0.35 0.31 1.37 3.01 -1.26 -2.27 117.46 114.52 3h1l n PHE 30 Ca 0.32 0.15 0.17 0.00 1.01 0.00 0.00 57.45 59.11 3h1l n PHE 30 Cb 1.33 -0.68 0.99 0.00 -0.01 0.00 0.00 39.48 41.11 3h1l n PHE 30 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3h1l h SER 31 N -1.00 0.00 0.00 4.37 4.64 -1.92 -3.37 113.55 116.27 3h1l h SER 31 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3h1l h SER 31 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3h1l h SER 31 CO -0.06 0.01 -0.35 -0.67 -0.87 0.00 0.00 176.83 174.89 3h1l n ASP 32 N -3.57 0.43 0.00 4.97 2.03 -0.12 -4.78 116.55 115.51 3h1l n ASP 32 Ca -0.03 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.40 3h1l n ASP 32 Cb 0.10 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 3h1l n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1l n ALA 33 N -3.21 -0.22 -0.30 -1.67 0.00 -0.89 -2.87 120.51 111.35 3h1l n ALA 33 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3h1l n ALA 33 Cb 0.18 0.12 0.25 0.00 0.00 0.00 0.00 19.45 20.00 3h1l n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h1l h LEU 34 N 0.00 0.44 -0.82 0.00 3.38 -1.63 -0.88 115.31 115.81 3h1l h LEU 34 Ca 0.00 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.24 3h1l h LEU 34 Cb 0.00 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 3h1l h LEU 34 CO 0.00 0.14 0.38 -0.65 0.09 0.00 0.00 178.44 178.40 3h1l h PRO 35 N 0.53 0.52 0.02 1.13 0.11 -1.71 0.92 132.00 133.52 3h1l h PRO 35 Ca 0.49 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 66.36 3h1l h PRO 35 Cb 0.79 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 3h1l h PRO 35 CO -0.42 0.34 -0.93 -0.91 -0.21 0.00 0.00 178.00 175.87 3h1l h ASN 36 N 0.53 0.26 -0.64 -2.05 2.35 -1.06 0.30 115.58 115.28 3h1l h ASN 36 Ca 0.45 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 56.00 3h1l h ASN 36 Cb 0.68 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 3h1l h ASN 36 CO -0.39 1.05 0.40 0.58 -1.65 0.00 0.00 177.43 177.42 3h1l h VAL 37 N 0.10 1.09 -0.11 2.81 2.07 -0.28 0.12 116.25 122.05 3h1l h VAL 37 Ca -0.05 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3h1l h VAL 37 Cb 1.58 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3h1l h VAL 37 CO 0.14 0.14 -0.01 -0.25 0.02 0.00 0.00 177.57 177.61 3h1l h TRP 38 N 0.79 0.22 -0.77 1.57 2.91 -0.64 -1.69 115.95 118.34 3h1l h TRP 38 Ca 0.25 -0.04 0.14 0.00 1.13 0.00 0.00 58.89 60.37 3h1l h TRP 38 Cb -0.00 -0.06 -0.14 0.00 -0.51 0.00 0.00 29.16 28.45 3h1l h TRP 38 CO -0.05 0.48 -0.27 -0.09 -1.03 0.00 0.00 178.44 177.48 3h1l h ARG 39 N -0.10 -0.05 -0.23 2.65 2.43 0.57 -1.48 114.38 118.17 3h1l h ARG 39 Ca 0.03 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3h1l h ARG 39 Cb 0.40 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3h1l h ARG 39 CO 0.01 -0.03 -0.01 0.00 -1.51 0.00 0.00 179.97 178.43 3h1l h ARG 40 N -0.05 0.41 -0.11 0.20 3.08 -0.73 -2.93 114.38 114.25 3h1l h ARG 40 Ca 0.33 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 60.29 3h1l h ARG 40 Cb 0.58 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 3h1l h ARG 40 CO -0.81 0.60 -0.31 0.35 -1.07 0.00 0.00 179.97 178.73 3h1l h PHE 41 N 0.17 -0.86 -0.00 3.04 -0.00 -0.36 -2.44 116.94 116.49 3h1l h PHE 41 Ca 0.06 0.04 0.02 0.00 -0.00 0.00 0.00 57.97 58.09 3h1l h PHE 41 Cb 0.42 0.39 -0.06 0.00 -0.00 0.00 0.00 35.95 36.71 3h1l h PHE 41 CO 0.04 -0.39 -0.53 0.77 -0.00 0.00 0.00 178.31 178.19 3h1l h SER 42 N -0.40 -1.65 -0.69 0.41 0.02 -1.31 -0.20 113.55 109.73 3h1l h SER 42 Ca 0.09 0.19 0.16 0.00 -0.84 0.00 0.00 61.79 61.39 3h1l h SER 42 Cb 0.54 0.63 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 3h1l h SER 42 CO -0.33 -0.52 0.47 0.77 -1.14 0.00 0.00 176.83 176.08 3h1l h SER 43 N -0.67 0.20 0.18 3.07 4.64 -1.34 -3.18 113.55 116.44 3h1l h SER 43 Ca 0.01 0.01 -0.34 0.00 -0.47 0.00 0.00 61.79 61.00 3h1l h SER 43 Cb 0.72 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.73 3h1l h SER 43 CO -0.36 0.10 -2.13 0.00 -0.87 0.00 0.00 176.83 173.57 3h1l n GLN 44 N -4.42 0.67 0.29 4.77 1.13 -0.93 -4.49 117.38 114.40 3h1l n GLN 44 Ca 0.13 0.14 0.12 0.00 -1.94 0.00 0.00 57.00 55.45 3h1l n GLN 44 Cb 0.61 -1.63 0.63 0.00 0.11 0.00 0.00 30.24 29.96 3h1l n GLN 44 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 3h1l h VAL 45 N 0.01 0.00 -0.01 5.09 3.04 -1.02 -1.23 116.25 122.12 3h1l h VAL 45 Ca -0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3h1l h VAL 45 Cb 2.11 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 3h1l h VAL 45 CO 0.04 0.00 -0.43 0.49 -1.01 0.00 0.00 177.57 176.66 3h1l n PHE 46 N -2.64 0.00 -0.11 3.17 3.72 -1.26 -2.78 117.46 117.56 3h1l n PHE 46 Ca -0.02 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.23 3h1l n PHE 46 Cb 0.42 -0.07 -0.11 0.00 -0.94 0.00 0.00 39.48 38.78 3h1l n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3h1l n LYS 47 N -0.48 0.64 0.00 -1.08 5.02 -0.50 -4.53 118.16 117.23 3h1l n LYS 47 Ca 0.10 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3h1l n LYS 47 Cb 0.40 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3h1l n LYS 47 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h1l n VAL 48 N -3.12 0.00 -0.29 -0.18 0.31 -1.00 -4.58 118.33 109.47 3h1l n VAL 48 Ca -0.40 0.29 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 3h1l n VAL 48 Cb 0.96 -0.71 -0.07 0.00 -0.91 0.00 0.00 33.84 33.11 3h1l n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1l n ALA 49 N -1.03 -0.44 -0.25 3.52 0.00 -1.12 -3.22 120.51 117.97 3h1l n ALA 49 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3h1l n ALA 49 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3h1l n ALA 49 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h1l n PRO 50 N -4.84 0.00 -0.15 0.00 -0.02 -1.26 -0.33 135.00 128.39 3h1l n PRO 50 Ca 0.01 0.47 0.26 0.00 -2.02 0.00 0.00 63.50 62.22 3h1l n PRO 50 Cb 0.18 -0.77 0.70 0.00 -0.02 0.00 0.00 33.50 33.59 3h1l n PRO 50 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1l h PRO 51 N 0.00 0.04 0.09 0.52 0.13 -1.81 0.29 132.00 131.27 3h1l h PRO 51 Ca 0.00 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3h1l h PRO 51 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 3h1l h PRO 51 CO 0.00 0.03 -0.05 0.74 -0.23 0.00 0.00 178.00 178.49 3h1l h PHE 52 N 0.04 -0.12 -0.77 1.56 0.05 -0.78 -1.00 116.94 115.92 3h1l h PHE 52 Ca 0.40 -0.00 0.15 0.00 3.82 0.00 0.00 57.97 62.33 3h1l h PHE 52 Cb 1.53 0.04 -0.05 0.00 2.00 0.00 0.00 35.95 39.46 3h1l h PHE 52 CO -0.00 0.34 0.51 1.25 -0.18 0.00 0.00 178.31 180.23 3h1l h LEU 53 N -0.64 0.43 0.30 1.54 5.85 0.51 0.33 115.31 123.64 3h1l h LEU 53 Ca -0.01 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3h1l h LEU 53 Cb 0.51 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3h1l h LEU 53 CO 0.02 0.23 -0.14 1.23 -0.34 0.00 0.00 178.44 179.43 3h1l h GLY 54 N 0.46 -0.42 1.85 3.75 0.00 -0.24 -2.76 103.07 105.71 3h1l h GLY 54 Ca 0.38 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3h1l h GLY 54 CO -0.13 -0.15 0.10 0.00 0.00 0.00 0.00 176.54 176.36 3h1l h ALA 55 N 0.00 1.91 -0.10 3.60 0.00 -0.20 -2.27 119.26 122.21 3h1l h ALA 55 Ca -0.04 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3h1l h ALA 55 Cb 0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3h1l h ALA 55 CO 0.07 0.08 -0.06 -0.92 0.00 0.00 0.00 179.25 178.42 3h1l h TYR 56 N 0.19 -0.14 0.50 0.00 3.20 -0.75 -0.10 116.97 119.87 3h1l h TYR 56 Ca 0.06 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3h1l h TYR 56 Cb -0.01 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3h1l h TYR 56 CO -0.00 -0.10 -0.42 -0.07 -1.64 0.00 0.00 178.16 175.93 3h1l h LEU 57 N -0.06 -1.13 -1.85 2.82 3.38 -1.14 0.15 115.31 117.48 3h1l h LEU 57 Ca 0.06 0.08 0.38 0.00 0.09 0.00 0.00 57.88 58.49 3h1l h LEU 57 Cb 0.15 0.36 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3h1l h LEU 57 CO -0.14 -0.58 1.03 0.25 0.09 0.00 0.00 178.44 179.08 3h1l h LEU 58 N -0.90 0.00 0.07 1.67 5.85 -1.30 0.75 115.31 121.45 3h1l h LEU 58 Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3h1l h LEU 58 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3h1l h LEU 58 CO -0.01 0.00 -0.03 0.22 -0.34 0.00 0.00 178.44 178.28 3h1l h TYR 59 N 0.00 -0.09 -0.82 1.25 3.20 0.26 -2.64 116.97 118.14 3h1l h TYR 59 Ca 0.62 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.52 3h1l h TYR 59 Cb 2.67 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 40.92 3h1l h TYR 59 CO 0.00 0.46 0.52 0.77 -1.64 0.00 0.00 178.16 178.28 3h1l h SER 60 N -0.91 0.87 0.00 -2.11 0.02 0.26 -1.24 113.55 110.45 3h1l h SER 60 Ca -0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3h1l h SER 60 Cb 0.59 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3h1l h SER 60 CO 0.02 0.61 0.00 1.87 -1.14 0.00 0.00 176.83 178.18 3h1l n TRP 61 N -4.57 0.00 -0.67 3.45 -0.00 0.21 -1.41 117.44 114.45 3h1l n TRP 61 Ca 0.10 0.00 0.51 0.00 -0.00 0.00 0.00 57.50 58.10 3h1l n TRP 61 Cb 0.08 -0.13 0.78 0.00 -0.00 0.00 0.00 31.31 32.04 3h1l n TRP 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3h1l n GLY 62 N -0.44 -0.95 0.16 5.87 0.00 -0.99 -0.62 105.19 108.22 3h1l n GLY 62 Ca 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 46.02 46.62 3h1l n GLY 62 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h1l h THR 63 N 0.00 0.00 -0.59 2.61 2.02 -1.10 -2.85 112.91 112.99 3h1l h THR 63 Ca 0.89 -0.34 0.13 0.00 0.77 0.00 0.00 66.41 67.87 3h1l h THR 63 Cb 3.63 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 70.01 3h1l h THR 63 CO -0.01 0.00 0.41 1.56 0.37 0.00 0.00 175.52 177.85 3h1l h GLN 64 N -0.69 0.24 0.00 6.66 4.20 0.35 -1.13 115.11 124.73 3h1l h GLN 64 Ca -0.04 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3h1l h GLN 64 Cb 0.27 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3h1l h GLN 64 CO 0.06 0.16 -0.27 1.49 -0.67 0.00 0.00 178.83 179.60 3h1l h GLU 65 N 0.25 0.00 0.00 1.46 4.57 -1.13 -1.72 114.58 118.00 3h1l h GLU 65 Ca 0.28 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.36 3h1l h GLU 65 Cb 0.78 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 3h1l h GLU 65 CO -0.06 0.27 -0.58 0.35 -1.18 0.00 0.00 179.01 177.81 3h1l h PHE 66 N 0.00 0.00 0.14 0.92 3.57 -0.96 -2.94 116.94 117.67 3h1l h PHE 66 Ca -0.00 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 3h1l h PHE 66 Cb 0.88 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.65 3h1l h PHE 66 CO 0.00 0.47 -1.21 0.93 -2.23 0.00 0.00 178.31 176.27 3h1l h GLU 67 N 0.00 0.57 -0.82 1.11 4.39 -1.21 -3.28 114.58 115.34 3h1l h GLU 67 Ca -0.02 -0.80 -0.03 0.00 0.34 0.00 0.00 59.36 58.85 3h1l h GLU 67 Cb 1.38 0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 30.26 3h1l h GLU 67 CO 0.06 1.37 0.39 -0.09 -1.16 0.00 0.00 179.01 179.58 3h1l h ARG 68 N 0.16 1.17 0.00 2.33 2.43 -1.35 -1.63 114.38 117.49 3h1l h ARG 68 Ca -0.19 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3h1l h ARG 68 Cb 1.91 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 3h1l h ARG 68 CO 0.23 0.90 0.00 1.28 -1.51 0.00 0.00 179.97 180.87 3h1l n LEU 69 N -4.31 0.00 -0.01 3.80 4.77 -1.11 -2.46 117.00 117.67 3h1l n LEU 69 Ca 0.08 0.09 -0.22 0.00 -0.03 0.00 0.00 56.01 55.93 3h1l n LEU 69 Cb 0.14 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 3h1l n LEU 69 CO 0.40 -0.03 -0.70 0.11 -1.33 0.00 0.00 177.39 175.83 3h1l h LYS 70 N 0.00 0.22 -7.22 3.23 1.79 -1.37 -3.48 116.57 109.74 3h1l h LYS 70 Ca 0.00 -0.37 -0.53 0.00 -2.18 0.00 0.00 60.65 57.57 3h1l h LYS 70 Cb 0.06 0.14 0.19 0.00 -1.58 0.00 0.00 32.23 31.03 3h1l h LYS 70 CO 0.00 1.18 0.32 1.03 -1.08 0.00 0.00 179.45 180.90 3h1l s ARG 71 N -2.51 1.49 0.15 3.15 1.81 -1.03 -5.01 118.95 117.00 3h1l s ARG 71 Ca -0.23 1.73 -0.02 0.00 -1.72 0.00 0.00 55.73 55.49 3h1l s ARG 71 Cb 0.06 -1.76 -0.05 0.00 -0.45 0.00 0.00 34.95 32.75 3h1l s ARG 71 CO 0.74 -2.32 0.35 -1.59 -0.68 0.00 0.00 175.30 171.80 3h1l s LYS 72 N -4.22 3.55 -0.40 3.54 -2.85 -1.26 -5.02 119.74 113.07 3h1l s LYS 72 Ca 0.72 -0.26 -0.13 0.00 -1.00 0.00 0.00 55.97 55.30 3h1l s LYS 72 Cb -0.28 -2.88 0.03 0.00 -2.06 0.00 0.00 37.83 32.64 3h1l s LYS 72 CO 0.52 0.46 0.27 1.21 0.10 0.00 0.00 175.35 177.92 3h1l s ASN 73 N -2.75 5.95 0.36 0.03 2.47 -1.26 -4.99 114.94 114.76 3h1l s ASN 73 Ca 0.39 -1.01 0.18 0.00 0.42 0.00 0.00 52.86 52.84 3h1l s ASN 73 Cb -0.12 -2.10 1.19 0.00 -1.45 0.00 0.00 41.25 38.76 3h1l s ASN 73 CO 0.27 -0.45 1.64 1.55 -3.72 0.00 0.00 177.10 176.39 3h1l h PRO 74 N 8.56 0.22 0.00 0.43 0.13 -2.00 -1.68 132.00 137.66 3h1l h PRO 74 Ca -0.26 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3h1l h PRO 74 Cb 1.11 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3h1l h PRO 74 CO 0.72 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.64 3h1l n ALA 75 N -2.31 1.02 -0.06 -0.56 0.00 -1.26 -1.12 120.51 116.21 3h1l n ALA 75 Ca 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.60 3h1l n ALA 75 Cb 1.10 -0.68 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 3h1l n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h1l n ASP 76 N -0.73 1.74 -1.13 0.00 8.00 -0.63 -4.48 116.55 119.31 3h1l n ASP 76 Ca 0.00 0.07 -0.01 0.00 0.71 0.00 0.00 54.79 55.56 3h1l n ASP 76 Cb 0.00 -0.42 0.22 0.00 -0.02 0.00 0.00 41.12 40.90 3h1l n ASP 76 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h1l n TYR 77 N -3.28 1.16 -0.10 1.24 4.02 -0.27 -4.53 117.16 115.40 3h1l n TYR 77 Ca -0.36 -1.36 0.08 0.00 -0.01 0.00 0.00 57.90 56.25 3h1l n TYR 77 Cb 1.04 -0.46 0.28 0.00 -0.02 0.00 0.00 39.34 40.18 3h1l n TYR 77 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1l n GLU 78 N -0.92 2.93 0.00 -0.72 1.02 -1.14 -3.79 120.64 118.02 3h1l n GLU 78 Ca 0.31 -2.28 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 3h1l n GLU 78 Cb 1.03 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 3h1l n GLU 78 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h1l n ASN 79 N 1.03 3.50 -4.45 1.62 5.03 -1.26 -5.07 115.26 115.66 3h1l n ASN 79 Ca 0.21 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.32 3h1l n ASN 79 Cb 0.66 0.56 0.12 0.00 -1.02 0.00 0.00 39.78 40.10 3h1l n ASN 79 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3h1l n ASP 80 N -1.25 -1.66 0.00 6.41 9.92 -1.25 -5.24 116.55 123.49 3h1l n ASP 80 Ca 0.00 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 3h1l n ASP 80 Cb 0.14 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 39.38 3h1l n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33