#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1i s ILE 2 N 0.00 4.03 -0.17 -0.61 -4.36 -1.26 -4.90 121.20 113.93 3h1i s ILE 2 Ca 0.00 1.17 0.22 0.00 -0.26 0.00 0.00 60.65 61.78 3h1i s ILE 2 Cb 0.00 -4.04 -0.20 0.00 1.25 0.00 0.00 42.46 39.48 3h1i s ILE 2 CO 0.00 -0.41 0.74 1.41 0.24 0.00 0.00 174.94 176.91 3h1i n HIS 3 N 7.78 0.37 -2.03 1.37 8.25 -1.26 -4.88 115.22 124.82 3h1i n HIS 3 Ca 0.16 0.11 -0.36 0.00 -0.26 0.00 0.00 57.72 57.37 3h1i n HIS 3 Cb 0.46 -0.65 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 3h1i n HIS 3 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1i s PHE 4 N -3.43 1.68 0.00 4.41 2.99 -1.26 -2.79 117.98 119.59 3h1i s PHE 4 Ca -0.04 0.76 0.00 0.00 0.00 0.00 0.00 56.93 57.65 3h1i s PHE 4 Cb 0.12 -4.07 0.00 0.00 0.00 0.00 0.00 43.02 39.07 3h1i s PHE 4 CO 0.86 -2.18 0.00 0.41 -0.00 0.00 0.00 175.22 174.31 3h1i n GLY 5 N 5.97 1.95 0.14 4.36 0.00 -1.26 -4.96 105.19 111.39 3h1i n GLY 5 Ca 0.25 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 3h1i n GLY 5 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h1i h ASN 6 N 1.25 0.40 0.00 1.61 2.35 -1.87 -3.43 115.58 115.89 3h1i h ASN 6 Ca 0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 56.30 54.85 3h1i h ASN 6 Cb 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3h1i h ASN 6 CO 0.00 1.80 0.00 0.18 -1.65 0.00 0.00 177.43 177.76 3h1i n LEU 7 N -3.64 0.00 -3.57 1.61 4.77 -1.21 -4.66 117.00 110.30 3h1i n LEU 7 Ca -0.30 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.62 3h1i n LEU 7 Cb 1.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.07 3h1i n LEU 7 CO 0.41 0.00 0.91 0.00 -1.33 0.00 0.00 177.39 177.38 3h1i s ALA 8 N -0.76 -1.99 -0.13 -1.18 0.00 -1.26 -5.13 121.76 111.30 3h1i s ALA 8 Ca 0.00 1.41 -0.24 0.00 0.00 0.00 0.00 51.96 53.13 3h1i s ALA 8 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3h1i s ALA 8 CO 0.00 -0.63 0.75 0.50 0.00 0.00 0.00 175.76 176.39 3h1i s ARG 9 N -2.64 4.34 -0.02 0.00 3.52 -1.26 -5.04 118.95 117.85 3h1i s ARG 9 Ca 0.08 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 3h1i s ARG 9 Cb -0.01 -3.52 0.03 0.00 -1.56 0.00 0.00 34.95 29.88 3h1i s ARG 9 CO -0.06 -0.16 0.02 0.08 -0.81 0.00 0.00 175.30 174.37 3h1i s VAL 10 N 1.57 0.03 -0.01 7.11 1.01 -1.26 -5.15 120.40 123.70 3h1i s VAL 10 Ca 0.37 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.56 3h1i s VAL 10 Cb -0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 3h1i s VAL 10 CO 0.15 0.11 -0.17 -0.13 0.00 0.00 0.00 175.10 175.06 3h1i s ARG 11 N 1.01 1.33 -0.37 2.72 0.52 -1.26 -4.94 118.95 117.97 3h1i s ARG 11 Ca -0.09 -0.61 -0.14 0.00 -0.52 0.00 0.00 55.73 54.37 3h1i s ARG 11 Cb -0.13 -1.29 0.02 0.00 0.52 0.00 0.00 34.95 34.07 3h1i s ARG 11 CO -0.02 0.35 0.40 0.72 0.02 0.00 0.00 175.30 176.77 3h1i n HIS 12 N 2.63 -3.26 -3.22 -0.53 8.25 -1.26 -5.04 115.22 112.79 3h1i n HIS 12 Ca -0.15 1.36 -0.01 0.00 -0.26 0.00 0.00 57.72 58.67 3h1i n HIS 12 Cb 0.54 -3.50 -0.03 0.00 1.12 0.00 0.00 29.99 28.12 3h1i n HIS 12 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h1i s ILE 13 N -2.06 -0.86 -0.12 1.59 1.01 -1.26 -5.14 121.20 114.36 3h1i s ILE 13 Ca 0.18 -0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 3h1i s ILE 13 Cb -0.04 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 3h1i s ILE 13 CO 0.73 -0.07 0.29 -0.63 0.00 0.00 0.00 174.94 175.26 3h1i s ILE 14 N 2.74 5.29 -0.03 2.92 1.01 -1.26 -5.08 121.20 126.79 3h1i s ILE 14 Ca 0.15 0.55 0.02 0.00 0.00 0.00 0.00 60.65 61.37 3h1i s ILE 14 Cb -0.13 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3h1i s ILE 14 CO -0.23 0.46 -0.09 0.42 0.00 0.00 0.00 174.94 175.50 3h1i s THR 15 N -0.07 0.82 -0.08 2.92 -4.23 -1.26 -5.13 115.64 108.62 3h1i s THR 15 Ca 0.17 -0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.35 3h1i s THR 15 Cb -0.13 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 72.97 3h1i s THR 15 CO 0.06 0.26 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.89 3h1i s TYR 16 N 0.25 2.10 0.04 3.99 1.51 -1.26 -5.12 117.35 118.87 3h1i s TYR 16 Ca -0.04 -0.79 -0.01 0.00 -1.01 0.00 0.00 57.07 55.21 3h1i s TYR 16 Cb -0.09 -1.43 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 3h1i s TYR 16 CO 0.01 -0.32 -0.02 -1.12 -1.11 0.00 0.00 175.55 172.98 3h1i s SER 17 N 0.35 0.42 0.10 2.29 0.01 -1.26 -5.17 113.70 110.44 3h1i s SER 17 Ca -0.14 -0.87 0.09 0.00 1.31 0.00 0.00 55.95 56.34 3h1i s SER 17 Cb -0.16 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 3h1i s SER 17 CO 0.06 -0.54 -0.21 -0.76 0.41 0.00 0.00 173.24 172.20 3h1i s LEU 18 N -2.58 2.52 0.51 2.44 1.43 -1.26 -5.10 118.68 116.64 3h1i s LEU 18 Ca 0.02 -0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 52.33 3h1i s LEU 18 Cb 0.04 -1.42 -0.10 0.00 0.03 0.00 0.00 46.19 44.73 3h1i s LEU 18 CO -0.08 0.20 0.51 -0.24 0.23 0.00 0.00 176.35 176.98 3h1i n SER 19 N 1.07 -1.04 0.29 2.29 2.88 -1.26 -4.81 113.62 113.05 3h1i n SER 19 Ca -0.17 0.80 0.18 0.00 -1.33 0.00 0.00 58.87 58.36 3h1i n SER 19 Cb 0.53 -1.14 0.83 0.00 -0.75 0.00 0.00 64.21 63.67 3h1i n SER 19 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h1i h PRO 20 N 0.47 0.00 0.00 -1.46 0.11 -1.99 -2.21 132.00 126.92 3h1i h PRO 20 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3h1i h PRO 20 Cb 1.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 3h1i h PRO 20 CO 0.49 0.02 0.00 1.19 -0.21 0.00 0.00 178.00 179.49 3h1i n PHE 21 N -3.16 0.00 0.56 0.65 3.72 -1.26 -2.72 117.46 115.25 3h1i n PHE 21 Ca -0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 3h1i n PHE 21 Cb 0.24 -0.19 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 3h1i n PHE 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3h1i n GLU 22 N -1.19 2.80 -4.54 -1.08 -0.58 -0.84 -5.03 120.64 110.18 3h1i n GLU 22 Ca 0.16 -0.15 -0.25 0.00 -0.42 0.00 0.00 57.16 56.50 3h1i n GLU 22 Cb 0.19 -1.09 -0.11 0.00 -0.57 0.00 0.00 31.44 29.86 3h1i n GLU 22 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 3h1i s GLN 23 N -2.01 1.81 0.24 3.49 -2.07 -1.10 -5.02 119.66 115.00 3h1i s GLN 23 Ca 0.06 -1.97 -0.29 0.00 -1.82 0.00 0.00 55.36 51.33 3h1i s GLN 23 Cb 0.09 -1.50 -0.09 0.00 -1.09 0.00 0.00 33.01 30.42 3h1i s GLN 23 CO 0.45 0.02 0.93 1.03 -1.32 0.00 0.00 175.29 176.40 3h1i s ARG 24 N -3.70 4.80 0.03 9.60 0.52 -1.26 -4.94 118.95 124.00 3h1i s ARG 24 Ca 0.33 1.44 -0.15 0.00 -0.52 0.00 0.00 55.73 56.83 3h1i s ARG 24 Cb 0.06 -3.22 -0.08 0.00 0.52 0.00 0.00 34.95 32.23 3h1i s ARG 24 CO 0.16 0.50 1.23 0.00 0.02 0.00 0.00 175.30 177.20 3h1i h ALA 25 N 4.04 -1.11 -2.95 2.13 0.00 -2.00 -3.37 119.26 116.00 3h1i h ALA 25 Ca -0.45 -0.11 -0.61 0.00 0.00 0.00 0.00 54.91 53.73 3h1i h ALA 25 Cb 1.20 0.25 -0.41 0.00 0.00 0.00 0.00 17.79 18.83 3h1i h ALA 25 CO 0.67 -1.08 -0.69 0.42 0.00 0.00 0.00 179.25 178.58 3h1i s ILE 26 N -4.19 2.13 0.41 0.00 1.01 -1.26 -5.11 121.20 114.19 3h1i s ILE 26 Ca -0.08 -3.62 -0.12 0.00 0.00 0.00 0.00 60.65 56.84 3h1i s ILE 26 Cb 0.01 -2.42 -0.07 0.00 0.01 0.00 0.00 42.46 39.99 3h1i s ILE 26 CO 0.24 -1.02 0.79 -2.16 0.00 0.00 0.00 174.94 172.79 3h1i s PRO 27 N -0.79 3.81 -1.29 2.79 0.04 -1.26 -4.35 135.00 133.96 3h1i s PRO 27 Ca 0.25 0.54 -0.05 0.00 0.04 0.00 0.00 61.00 61.77 3h1i s PRO 27 Cb -0.07 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 3h1i s PRO 27 CO -0.13 -0.05 0.63 0.09 0.04 0.00 0.00 177.00 177.57 3h1i n ASN 28 N -1.26 -2.05 0.10 6.66 3.02 -1.26 -4.64 115.26 115.82 3h1i n ASN 28 Ca 0.03 -0.93 0.16 0.00 -0.03 0.00 0.00 54.58 53.80 3h1i n ASN 28 Cb 0.54 -3.56 0.68 0.00 -0.61 0.00 0.00 39.78 36.83 3h1i n ASN 28 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h1i h ILE 29 N -1.84 0.82 0.00 2.41 5.03 -1.96 0.11 117.51 122.08 3h1i h ILE 29 Ca -0.63 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.11 3h1i h ILE 29 Cb 1.36 0.83 0.00 0.00 -3.03 0.00 0.00 36.82 35.98 3h1i h ILE 29 CO 0.56 0.00 0.00 0.49 -0.68 0.00 0.00 178.15 178.52 3h1i n PHE 30 N -4.42 0.00 -0.37 1.37 3.01 -1.26 -2.03 117.46 113.75 3h1i n PHE 30 Ca 0.05 0.00 0.34 0.00 1.01 0.00 0.00 57.45 58.85 3h1i n PHE 30 Cb 0.42 0.00 0.60 0.00 -0.01 0.00 0.00 39.48 40.48 3h1i n PHE 30 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3h1i n SER 31 N -2.21 0.27 -0.00 4.37 3.41 -1.26 -3.79 113.62 114.40 3h1i n SER 31 Ca 0.00 1.44 -0.01 0.00 -0.26 0.00 0.00 58.87 60.04 3h1i n SER 31 Cb 0.00 -0.70 -0.00 0.00 -0.26 0.00 0.00 64.21 63.24 3h1i n SER 31 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3h1i n ASP 32 N -4.87 0.47 0.00 4.04 2.03 -1.04 -4.83 116.55 112.35 3h1i n ASP 32 Ca 0.37 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.75 3h1i n ASP 32 Cb 1.34 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 41.46 3h1i n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1i n ALA 33 N -2.94 0.00 -0.13 -1.67 0.00 0.35 -3.09 120.51 113.03 3h1i n ALA 33 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 3h1i n ALA 33 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 3h1i n ALA 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h1i n LEU 34 N 0.00 -0.32 -0.30 0.00 4.77 -0.86 -0.14 117.00 120.14 3h1i n LEU 34 Ca 0.00 0.54 -0.02 0.00 -0.03 0.00 0.00 56.01 56.51 3h1i n LEU 34 Cb 0.00 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3h1i n LEU 34 CO 0.00 -0.44 0.45 -2.65 -1.33 0.00 0.00 177.39 173.42 3h1i n PRO 35 N -4.36 -0.20 0.13 3.23 -0.02 -1.22 0.21 135.00 132.77 3h1i n PRO 35 Ca 0.01 1.21 0.02 0.00 -2.02 0.00 0.00 63.50 62.71 3h1i n PRO 35 Cb 0.08 -1.79 0.36 0.00 -0.02 0.00 0.00 33.50 32.13 3h1i n PRO 35 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3h1i h ASN 36 N 0.00 0.18 -0.42 2.55 2.35 -0.47 0.32 115.58 120.09 3h1i h ASN 36 Ca 0.26 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3h1i h ASN 36 Cb 0.46 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3h1i h ASN 36 CO -0.78 0.41 0.25 0.58 -1.65 0.00 0.00 177.43 176.24 3h1i h VAL 37 N 0.18 1.14 0.46 2.81 2.07 0.27 0.34 116.25 123.52 3h1i h VAL 37 Ca 0.03 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3h1i h VAL 37 Cb 0.49 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3h1i h VAL 37 CO 0.03 0.15 -0.22 -0.25 0.02 0.00 0.00 177.57 177.30 3h1i h TRP 38 N 0.56 -0.58 -1.00 1.57 -0.00 -0.08 0.29 115.95 116.71 3h1i h TRP 38 Ca 0.15 -0.01 0.17 0.00 -0.00 0.00 0.00 58.89 59.19 3h1i h TRP 38 Cb 0.02 0.19 -0.17 0.00 -0.00 0.00 0.00 29.16 29.21 3h1i h TRP 38 CO -0.03 -0.28 -0.35 -2.13 -0.00 0.00 0.00 178.44 175.65 3h1i n ARG 39 N -5.29 -0.19 0.29 2.65 0.63 0.11 0.11 116.66 114.96 3h1i n ARG 39 Ca -0.11 1.54 -0.11 0.00 -0.92 0.00 0.00 57.85 58.24 3h1i n ARG 39 Cb 0.29 -2.29 -0.05 0.00 0.45 0.00 0.00 32.46 30.86 3h1i n ARG 39 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h1i h ARG 40 N 0.00 -0.71 -0.94 -0.14 3.08 -0.17 -2.80 114.38 112.70 3h1i h ARG 40 Ca 0.39 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.62 3h1i h ARG 40 Cb 0.64 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 30.70 3h1i h ARG 40 CO -1.00 -0.48 -0.40 0.34 -1.07 0.00 0.00 179.97 177.36 3h1i n PHE 41 N -4.19 -0.05 0.00 3.04 -0.00 0.08 -2.21 117.46 114.12 3h1i n PHE 41 Ca -0.09 1.16 0.00 0.00 -0.00 0.00 0.00 57.45 58.52 3h1i n PHE 41 Cb 0.29 -0.80 0.00 0.00 -0.00 0.00 0.00 39.48 38.97 3h1i n PHE 41 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3h1i n SER 42 N -5.35 0.00 -0.41 -2.13 7.64 0.12 -0.45 113.62 113.04 3h1i n SER 42 Ca 0.08 0.50 0.34 0.00 1.01 0.00 0.00 58.87 60.80 3h1i n SER 42 Cb 0.35 -0.00 0.55 0.00 -1.01 0.00 0.00 64.21 64.10 3h1i n SER 42 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3h1i n SER 43 N -0.87 0.12 0.01 6.43 3.41 -0.96 -1.10 113.62 120.66 3h1i n SER 43 Ca 0.00 0.99 -0.19 0.00 -0.26 0.00 0.00 58.87 59.40 3h1i n SER 43 Cb 0.00 -0.49 -0.14 0.00 -0.26 0.00 0.00 64.21 63.32 3h1i n SER 43 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3h1i h GLN 44 N 0.00 0.24 -0.98 4.33 1.08 -0.95 -3.40 115.11 115.43 3h1i h GLN 44 Ca 0.69 -0.41 0.33 0.00 -1.45 0.00 0.00 58.65 57.82 3h1i h GLN 44 Cb 2.39 0.15 -0.16 0.00 -0.05 0.00 0.00 27.48 29.81 3h1i h GLN 44 CO -0.26 1.11 0.48 -0.24 -0.95 0.00 0.00 178.83 178.96 3h1i h VAL 45 N 0.06 0.20 0.00 -0.54 3.04 0.87 0.23 116.25 120.11 3h1i h VAL 45 Ca -0.38 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3h1i h VAL 45 Cb 2.04 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 3h1i h VAL 45 CO 0.10 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 177.19 3h1i n PHE 46 N -5.16 0.00 -0.05 3.17 3.72 -1.25 -1.37 117.46 116.52 3h1i n PHE 46 Ca 0.31 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.65 3h1i n PHE 46 Cb 1.01 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.50 3h1i n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3h1i n LYS 47 N -0.96 1.05 -0.01 -1.08 5.02 0.74 -4.65 118.16 118.28 3h1i n LYS 47 Ca 0.18 0.04 -0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3h1i n LYS 47 Cb 0.08 -1.20 -0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3h1i n LYS 47 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h1i h VAL 48 N 0.00 0.00 -0.88 -0.18 2.07 -1.33 -3.41 116.25 112.52 3h1i h VAL 48 Ca -0.22 -0.17 0.20 0.00 0.82 0.00 0.00 66.70 67.33 3h1i h VAL 48 Cb 1.39 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.00 3h1i h VAL 48 CO -0.02 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.48 3h1i h ALA 49 N -1.83 0.81 -0.59 1.67 0.00 -1.46 -3.23 119.26 114.62 3h1i h ALA 49 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3h1i h ALA 49 Cb 0.01 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h1i h ALA 49 CO 0.00 -0.45 0.00 -2.30 0.00 0.00 0.00 179.25 176.50 3h1i n PRO 50 N -5.49 0.00 -0.21 0.00 -0.02 -1.26 -0.37 135.00 127.66 3h1i n PRO 50 Ca 0.16 0.72 -0.01 0.00 -2.02 0.00 0.00 63.50 62.35 3h1i n PRO 50 Cb 0.55 -1.13 0.10 0.00 -0.02 0.00 0.00 33.50 32.99 3h1i n PRO 50 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1i h PRO 51 N 0.00 0.50 0.15 0.52 0.13 -1.81 0.63 132.00 132.13 3h1i h PRO 51 Ca 0.00 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.12 3h1i h PRO 51 Cb 0.00 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 30.98 3h1i h PRO 51 CO 0.00 0.33 -0.36 0.74 -0.23 0.00 0.00 178.00 178.48 3h1i h PHE 52 N 0.52 -1.00 -0.69 1.56 0.05 -1.49 0.14 116.94 116.03 3h1i h PHE 52 Ca 0.29 0.02 0.14 0.00 3.82 0.00 0.00 57.97 62.24 3h1i h PHE 52 Cb 0.27 0.42 -0.10 0.00 2.00 0.00 0.00 35.95 38.55 3h1i h PHE 52 CO -0.12 -0.48 0.18 1.25 -0.18 0.00 0.00 178.31 178.97 3h1i h LEU 53 N -0.62 0.06 -0.45 1.54 5.85 -0.26 -0.93 115.31 120.50 3h1i h LEU 53 Ca 0.02 0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.95 3h1i h LEU 53 Cb 0.63 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 3h1i h LEU 53 CO -0.19 0.01 -0.01 1.23 -0.34 0.00 0.00 178.44 179.14 3h1i h GLY 54 N 0.30 0.45 0.66 3.75 0.00 0.85 -2.81 103.07 106.27 3h1i h GLY 54 Ca 0.37 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 3h1i h GLY 54 CO -0.44 -0.12 -0.35 0.00 0.00 0.00 0.00 176.54 175.62 3h1i h ALA 55 N 1.41 -1.22 -0.47 3.60 0.00 0.49 -2.74 119.26 120.33 3h1i h ALA 55 Ca 0.23 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3h1i h ALA 55 Cb 0.33 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 3h1i h ALA 55 CO -0.38 -1.17 -0.10 0.98 0.00 0.00 0.00 179.25 178.58 3h1i n TYR 56 N -4.61 0.18 0.46 0.00 9.36 -0.64 0.24 117.16 122.16 3h1i n TYR 56 Ca -0.11 0.57 -0.18 0.00 3.32 0.00 0.00 57.90 61.49 3h1i n TYR 56 Cb 0.38 -0.78 -0.09 0.00 -0.63 0.00 0.00 39.34 38.22 3h1i n TYR 56 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3h1i h LEU 57 N 0.00 -0.99 -1.39 2.98 3.38 -1.38 0.79 115.31 118.70 3h1i h LEU 57 Ca 0.23 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.32 3h1i h LEU 57 Cb 0.37 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3h1i h LEU 57 CO -0.47 -0.69 0.67 0.25 0.09 0.00 0.00 178.44 178.29 3h1i h LEU 58 N -1.22 0.00 0.00 1.67 5.85 0.35 1.07 115.31 123.03 3h1i h LEU 58 Ca -0.12 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3h1i h LEU 58 Cb 0.90 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 3h1i h LEU 58 CO 0.20 0.00 -0.07 0.22 -0.34 0.00 0.00 178.44 178.44 3h1i h TYR 59 N 0.00 0.00 -0.28 1.25 3.20 0.15 -2.96 116.97 118.34 3h1i h TYR 59 Ca 0.15 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.08 3h1i h TYR 59 Cb 1.49 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.68 3h1i h TYR 59 CO 0.00 0.06 -0.37 0.77 -1.64 0.00 0.00 178.16 176.98 3h1i h SER 60 N -1.00 -1.19 -0.05 -2.11 0.02 0.52 0.24 113.55 109.99 3h1i h SER 60 Ca -0.00 0.18 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3h1i h SER 60 Cb 0.12 0.52 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 3h1i h SER 60 CO -0.00 -0.36 -0.06 -0.25 -1.14 0.00 0.00 176.83 175.01 3h1i h TRP 61 N -0.36 -0.20 -0.95 3.45 7.01 0.75 0.24 115.95 125.89 3h1i h TRP 61 Ca 0.13 0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.33 3h1i h TRP 61 Cb 0.57 0.09 -0.11 0.00 -2.10 0.00 0.00 29.16 27.61 3h1i h TRP 61 CO -0.51 -0.06 0.53 0.78 -2.79 0.00 0.00 178.44 176.39 3h1i h GLY 62 N -0.04 1.67 0.74 2.65 0.00 -1.33 0.22 103.07 106.98 3h1i h GLY 62 Ca 0.01 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.06 3h1i h GLY 62 CO -0.07 -0.12 -0.07 -0.84 0.00 0.00 0.00 176.54 175.44 3h1i h THR 63 N 0.65 0.80 0.20 4.70 2.02 -0.01 -1.30 112.91 119.98 3h1i h THR 63 Ca 0.56 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.73 3h1i h THR 63 Cb 0.92 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3h1i h THR 63 CO -0.42 0.00 -0.10 1.56 0.37 0.00 0.00 175.52 176.94 3h1i h GLN 64 N -0.09 -0.26 -1.21 6.66 4.20 -0.02 -2.30 115.11 122.08 3h1i h GLN 64 Ca 0.05 0.02 0.35 0.00 0.06 0.00 0.00 58.65 59.12 3h1i h GLN 64 Cb 0.16 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 3h1i h GLN 64 CO -0.12 0.13 0.84 1.49 -0.67 0.00 0.00 178.83 180.50 3h1i h GLU 65 N -0.78 0.11 0.24 1.46 4.57 -0.60 0.51 114.58 120.08 3h1i h GLU 65 Ca -0.03 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3h1i h GLU 65 Cb 0.51 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3h1i h GLU 65 CO 0.05 0.07 -0.12 0.35 -1.18 0.00 0.00 179.01 178.18 3h1i h PHE 66 N 0.11 -0.30 -0.60 0.92 3.57 -1.16 -2.79 116.94 116.69 3h1i h PHE 66 Ca 0.62 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.27 3h1i h PHE 66 Cb 2.19 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 41.00 3h1i h PHE 66 CO -0.00 0.08 0.42 0.93 -2.23 0.00 0.00 178.31 177.51 3h1i h GLU 67 N -0.83 0.12 -0.15 1.11 4.39 0.43 0.12 114.58 119.79 3h1i h GLU 67 Ca -0.03 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.47 3h1i h GLU 67 Cb 0.51 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3h1i h GLU 67 CO 0.05 0.08 -0.69 -0.09 -1.16 0.00 0.00 179.01 177.20 3h1i h ARG 68 N 0.12 0.61 0.00 2.33 2.43 -0.61 -2.84 114.38 116.42 3h1i h ARG 68 Ca 0.29 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3h1i h ARG 68 Cb 0.97 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3h1i h ARG 68 CO -0.04 1.08 0.00 1.28 -1.51 0.00 0.00 179.97 180.79 3h1i n LEU 69 N -3.91 0.00 -0.04 3.80 4.77 0.41 -2.12 117.00 119.91 3h1i n LEU 69 Ca -0.05 0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.82 3h1i n LEU 69 Cb 0.69 -0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 3h1i n LEU 69 CO 0.50 -0.05 -0.73 0.29 -1.33 0.00 0.00 177.39 176.07 3h1i n LYS 70 N -1.11 0.68 -1.70 3.23 4.76 -1.07 -4.92 118.16 118.04 3h1i n LYS 70 Ca 0.11 0.38 -0.38 0.00 -2.87 0.00 0.00 58.31 55.55 3h1i n LYS 70 Cb 0.09 -1.71 0.05 0.00 -1.84 0.00 0.00 35.03 31.62 3h1i n LYS 70 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3h1i n ARG 71 N -3.86 1.28 -3.31 1.97 5.12 -0.90 -4.98 116.66 111.98 3h1i n ARG 71 Ca -0.33 0.49 -0.33 0.00 -1.93 0.00 0.00 57.85 55.75 3h1i n ARG 71 Cb 0.90 -2.44 -0.06 0.00 -1.16 0.00 0.00 32.46 29.71 3h1i n ARG 71 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3h1i s LYS 72 N -2.99 3.90 -0.59 5.56 -2.85 -1.26 -5.00 119.74 116.50 3h1i s LYS 72 Ca 0.76 0.44 -0.18 0.00 -1.00 0.00 0.00 55.97 55.99 3h1i s LYS 72 Cb -0.41 -2.61 0.11 0.00 -2.06 0.00 0.00 37.83 32.86 3h1i s LYS 72 CO 0.46 0.28 0.67 1.21 0.10 0.00 0.00 175.35 178.07 3h1i s ASN 73 N -2.25 6.19 0.06 0.03 2.47 -1.26 -4.91 114.94 115.27 3h1i s ASN 73 Ca 0.49 -1.51 0.02 0.00 0.42 0.00 0.00 52.86 52.27 3h1i s ASN 73 Cb -0.11 -2.29 0.10 0.00 -1.45 0.00 0.00 41.25 37.50 3h1i s ASN 73 CO 0.20 -1.07 0.79 -0.81 -3.72 0.00 0.00 177.10 172.49 3h1i n PRO 74 N 6.14 0.01 -0.02 0.43 -0.04 -1.26 -0.85 135.00 139.41 3h1i n PRO 74 Ca -0.10 0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.73 3h1i n PRO 74 Cb 0.42 -1.86 0.49 0.00 -0.04 0.00 0.00 33.50 32.51 3h1i n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1i n ALA 75 N -1.26 2.58 0.77 0.55 0.00 -1.26 -3.09 120.51 118.80 3h1i n ALA 75 Ca -0.00 -0.23 0.11 0.00 0.00 0.00 0.00 53.44 53.32 3h1i n ALA 75 Cb 0.32 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 18.60 3h1i n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h1i n ASP 76 N -0.47 0.65 0.00 0.00 8.00 -0.03 -4.32 116.55 120.39 3h1i n ASP 76 Ca 0.14 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.28 3h1i n ASP 76 Cb 0.14 0.66 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 3h1i n ASP 76 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h1i n TYR 77 N -1.74 0.00 1.18 1.24 4.02 -1.18 -4.70 117.16 115.97 3h1i n TYR 77 Ca 0.03 -0.31 0.01 0.00 -0.01 0.00 0.00 57.90 57.62 3h1i n TYR 77 Cb 0.39 -0.03 0.08 0.00 -0.02 0.00 0.00 39.34 39.75 3h1i n TYR 77 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1i n GLU 78 N -0.31 0.59 0.00 -0.72 1.02 -1.22 -5.16 120.64 114.83 3h1i n GLU 78 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 3h1i n GLU 78 Cb 0.26 -1.07 0.10 0.00 -0.02 0.00 0.00 31.44 30.71 3h1i n GLU 78 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40