#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 3.97 -0.15 -0.61 -4.36 -1.26 -4.89 121.20 113.90 3h1i s ILE 2 Ca 0.00 1.23 0.14 0.00 -0.26 0.00 0.00 60.65 61.76 3h1i s ILE 2 Cb 0.00 -3.79 -0.21 0.00 1.25 0.00 0.00 42.46 39.71 3h1i s ILE 2 CO 0.00 -0.08 0.37 1.41 0.24 0.00 0.00 174.94 176.88 3h1i n HIS 3 N 6.36 0.00 -2.17 1.37 8.25 -1.26 -4.92 115.22 122.85 3h1i n HIS 3 Ca 0.14 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.21 3h1i n HIS 3 Cb 0.44 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 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 -2.86 1.86 0.00 4.41 2.99 -1.26 -3.03 117.98 120.09 3h1i s PHE 4 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 56.93 57.50 3h1i s PHE 4 Cb 0.09 -4.22 0.00 0.00 0.00 0.00 0.00 43.02 38.90 3h1i s PHE 4 CO 0.59 -2.28 0.00 0.41 -0.00 0.00 0.00 175.22 173.94 3h1i n GLY 5 N 5.56 1.65 0.14 4.36 0.00 -1.26 -4.95 105.19 110.68 3h1i n GLY 5 Ca 0.17 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 3h1i n GLY 5 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h1i n ASN 6 N 0.00 2.03 0.00 1.61 3.02 -1.17 -4.73 115.26 116.02 3h1i n ASN 6 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 3h1i n ASN 6 Cb 0.00 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 3h1i n ASN 6 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h1i n LEU 7 N -3.42 0.00 -3.61 3.41 4.77 -1.22 -4.69 117.00 112.24 3h1i n LEU 7 Ca -0.34 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.61 3h1i n LEU 7 Cb 1.04 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.12 3h1i n LEU 7 CO 0.40 0.00 0.88 0.00 -1.33 0.00 0.00 177.39 177.34 3h1i s ALA 8 N -1.04 -1.96 -0.21 -1.18 0.00 -1.26 -5.14 121.76 110.97 3h1i s ALA 8 Ca 0.00 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 3h1i s ALA 8 Cb 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 3h1i s ALA 8 CO 0.00 -0.83 0.50 0.50 0.00 0.00 0.00 175.76 175.93 3h1i s ARG 9 N -2.78 4.17 -0.02 0.00 3.52 -1.26 -5.06 118.95 117.52 3h1i s ARG 9 Ca 0.10 0.37 0.01 0.00 -0.13 0.00 0.00 55.73 56.08 3h1i s ARG 9 Cb 0.00 -3.57 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 3h1i s ARG 9 CO -0.04 -0.17 -0.02 0.08 -0.81 0.00 0.00 175.30 174.35 3h1i s VAL 10 N 1.69 0.25 -0.03 7.11 1.01 -1.26 -5.14 120.40 124.03 3h1i s VAL 10 Ca 0.23 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.23 3h1i s VAL 10 Cb -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.93 3h1i s VAL 10 CO 0.09 0.14 -0.11 -0.13 0.00 0.00 0.00 175.10 175.09 3h1i s ARG 11 N 0.69 1.20 -0.43 2.72 0.52 -1.26 -4.96 118.95 117.43 3h1i s ARG 11 Ca -0.07 -0.37 -0.09 0.00 -0.52 0.00 0.00 55.73 54.68 3h1i s ARG 11 Cb -0.10 -1.08 0.01 0.00 0.52 0.00 0.00 34.95 34.29 3h1i s ARG 11 CO -0.01 0.12 0.51 0.72 0.02 0.00 0.00 175.30 176.67 3h1i n HIS 12 N 3.36 -2.71 -3.29 -0.53 8.25 -1.26 -5.06 115.22 113.97 3h1i n HIS 12 Ca -0.19 1.08 -0.07 0.00 -0.26 0.00 0.00 57.72 58.28 3h1i n HIS 12 Cb 0.54 -3.62 -0.06 0.00 1.12 0.00 0.00 29.99 27.97 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 -2.53 -0.69 -0.12 1.59 1.01 -1.26 -5.13 121.20 114.06 3h1i s ILE 13 Ca 0.14 -0.15 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 3h1i s ILE 13 Cb -0.04 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 3h1i s ILE 13 CO 0.62 -0.17 0.33 -0.63 0.00 0.00 0.00 174.94 175.09 3h1i s ILE 14 N 2.60 5.25 -0.03 2.92 1.01 -1.26 -5.07 121.20 126.62 3h1i s ILE 14 Ca 0.12 0.64 0.03 0.00 0.00 0.00 0.00 60.65 61.44 3h1i s ILE 14 Cb -0.14 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3h1i s ILE 14 CO -0.23 0.42 -0.12 0.42 0.00 0.00 0.00 174.94 175.43 3h1i s THR 15 N 0.14 1.04 -0.06 2.92 -4.23 -1.26 -5.13 115.64 109.06 3h1i s THR 15 Ca 0.19 -0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.25 3h1i s THR 15 Cb -0.14 -0.91 -0.00 0.00 1.34 0.00 0.00 72.50 72.79 3h1i s THR 15 CO 0.06 0.31 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.95 3h1i s TYR 16 N 0.17 2.03 0.02 3.99 1.51 -1.26 -5.13 117.35 118.69 3h1i s TYR 16 Ca -0.04 -0.66 -0.02 0.00 -1.01 0.00 0.00 57.07 55.34 3h1i s TYR 16 Cb -0.10 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.37 3h1i s TYR 16 CO 0.01 -0.24 0.02 -1.12 -1.11 0.00 0.00 175.55 173.11 3h1i s SER 17 N 0.10 0.23 0.06 2.29 0.01 -1.26 -5.17 113.70 109.97 3h1i s SER 17 Ca -0.08 -0.52 0.05 0.00 1.31 0.00 0.00 55.95 56.72 3h1i s SER 17 Cb -0.14 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 3h1i s SER 17 CO 0.04 -0.38 -0.08 -0.76 0.41 0.00 0.00 173.24 172.47 3h1i s LEU 18 N -1.71 3.12 0.55 2.44 1.43 -1.26 -5.09 118.68 118.16 3h1i s LEU 18 Ca -0.12 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 3h1i s LEU 18 Cb -0.06 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 3h1i s LEU 18 CO -0.02 0.22 0.62 -0.24 0.23 0.00 0.00 176.35 177.16 3h1i n SER 19 N 1.03 -0.62 0.27 2.29 2.88 -1.26 -4.83 113.62 113.38 3h1i n SER 19 Ca -0.14 0.78 0.14 0.00 -1.33 0.00 0.00 58.87 58.32 3h1i n SER 19 Cb 0.52 -1.21 0.78 0.00 -0.75 0.00 0.00 64.21 63.55 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 0.42 0.00 0.00 -1.46 0.11 -1.98 -1.78 132.00 127.30 3h1i h PRO 20 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h1i h PRO 20 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 3h1i h PRO 20 CO 0.49 0.09 0.00 1.19 -0.21 0.00 0.00 178.00 179.56 3h1i n PHE 21 N -3.64 0.00 0.70 0.65 3.72 -1.26 -2.77 117.46 114.86 3h1i n PHE 21 Ca -0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.45 3h1i n PHE 21 Cb 0.21 -0.23 -0.08 0.00 -0.94 0.00 0.00 39.48 38.44 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 -1.23 2.09 -4.47 -1.08 -0.58 -0.67 -5.01 120.64 109.69 3h1i n GLU 22 Ca 0.15 -0.04 -0.24 0.00 -0.42 0.00 0.00 57.16 56.61 3h1i n GLU 22 Cb 0.20 -1.20 -0.10 0.00 -0.57 0.00 0.00 31.44 29.76 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 -2.37 1.67 0.29 3.49 -2.07 -1.12 -5.02 119.66 114.53 3h1i s GLN 23 Ca 0.06 -1.79 -0.29 0.00 -1.82 0.00 0.00 55.36 51.51 3h1i s GLN 23 Cb 0.11 -1.65 -0.09 0.00 -1.09 0.00 0.00 33.01 30.29 3h1i s GLN 23 CO 0.60 0.25 1.08 1.03 -1.32 0.00 0.00 175.29 176.92 3h1i s ARG 24 N -3.56 4.62 0.05 9.60 0.52 -1.26 -4.93 118.95 123.99 3h1i s ARG 24 Ca 0.30 1.74 -0.28 0.00 -0.52 0.00 0.00 55.73 56.98 3h1i s ARG 24 Cb -0.02 -3.14 -0.15 0.00 0.52 0.00 0.00 34.95 32.16 3h1i s ARG 24 CO 0.14 0.22 1.42 0.00 0.02 0.00 0.00 175.30 177.10 3h1i h ALA 25 N 3.74 -1.23 -2.63 2.13 0.00 -2.00 -3.37 119.26 115.90 3h1i h ALA 25 Ca -0.47 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 53.64 3h1i h ALA 25 Cb 1.21 0.43 -0.41 0.00 0.00 0.00 0.00 17.79 19.03 3h1i h ALA 25 CO 0.67 -1.17 -0.72 -0.89 0.00 0.00 0.00 179.25 177.13 3h1i n ILE 26 N -4.70 0.93 -2.25 0.00 5.41 -1.26 -5.11 119.36 112.37 3h1i n ILE 26 Ca -0.12 -4.54 -0.31 0.00 1.00 0.00 0.00 62.75 58.78 3h1i n ILE 26 Cb 0.39 -2.03 -0.02 0.00 -0.71 0.00 0.00 39.64 37.27 3h1i n ILE 26 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3h1i s PRO 27 N -1.32 3.79 -1.45 0.38 0.04 -1.26 -4.22 135.00 130.96 3h1i s PRO 27 Ca 0.31 0.81 -0.05 0.00 0.04 0.00 0.00 61.00 62.11 3h1i s PRO 27 Cb 0.04 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.47 3h1i s PRO 27 CO -0.14 -0.36 0.60 0.09 0.04 0.00 0.00 177.00 177.23 3h1i n ASN 28 N -2.01 -1.51 -0.03 6.66 3.02 -1.26 -4.64 115.26 115.49 3h1i n ASN 28 Ca 0.06 -0.94 0.24 0.00 -0.03 0.00 0.00 54.58 53.90 3h1i n ASN 28 Cb 0.54 -3.29 0.72 0.00 -0.61 0.00 0.00 39.78 37.13 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 -1.82 0.43 0.00 2.41 5.03 -1.96 0.71 117.51 122.31 3h1i h ILE 29 Ca -0.61 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.13 3h1i h ILE 29 Cb 1.37 0.58 0.00 0.00 -3.03 0.00 0.00 36.82 35.74 3h1i h ILE 29 CO 0.64 0.00 0.00 0.49 -0.68 0.00 0.00 178.15 178.60 3h1i n PHE 30 N -3.91 0.00 -0.33 1.37 3.01 -1.26 -2.15 117.46 114.18 3h1i n PHE 30 Ca 0.12 0.00 0.31 0.00 1.01 0.00 0.00 57.45 58.89 3h1i n PHE 30 Cb 0.80 0.00 0.54 0.00 -0.01 0.00 0.00 39.48 40.80 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 -2.16 0.24 0.00 4.37 3.41 -1.24 -3.70 113.62 114.54 3h1i n SER 31 Ca 0.00 1.29 -0.01 0.00 -0.26 0.00 0.00 58.87 59.89 3h1i n SER 31 Cb 0.00 -0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 63.32 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 -4.65 0.53 0.00 4.04 2.03 -0.82 -4.83 116.55 112.86 3h1i n ASP 32 Ca 0.33 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.72 3h1i n ASP 32 Cb 1.21 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 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 -3.00 0.00 -0.10 -1.67 0.00 0.18 -2.99 120.51 112.93 3h1i n ALA 33 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3h1i n ALA 33 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.24 -0.28 0.00 4.77 -0.91 0.22 117.00 120.56 3h1i n LEU 34 Ca 0.00 0.49 0.04 0.00 -0.03 0.00 0.00 56.01 56.51 3h1i n LEU 34 Cb 0.00 -0.09 0.10 0.00 -2.33 0.00 0.00 43.42 41.10 3h1i n LEU 34 CO 0.00 -0.37 0.50 -2.65 -1.33 0.00 0.00 177.39 173.54 3h1i n PRO 35 N -3.84 -0.08 0.06 3.23 -0.02 -1.22 0.24 135.00 133.37 3h1i n PRO 35 Ca 0.00 1.19 -0.02 0.00 -2.02 0.00 0.00 63.50 62.66 3h1i n PRO 35 Cb 0.06 -1.78 0.26 0.00 -0.02 0.00 0.00 33.50 32.01 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 0.37 -0.48 2.55 2.35 -0.13 0.26 115.58 120.50 3h1i h ASN 36 Ca 0.36 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3h1i h ASN 36 Cb 0.55 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3h1i h ASN 36 CO -0.79 0.62 0.31 0.58 -1.65 0.00 0.00 177.43 176.50 3h1i h VAL 37 N 0.33 1.13 0.13 2.81 2.07 0.32 0.31 116.25 123.35 3h1i h VAL 37 Ca 0.05 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3h1i h VAL 37 Cb 0.61 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3h1i h VAL 37 CO 0.04 0.12 -0.06 -0.25 0.02 0.00 0.00 177.57 177.44 3h1i h TRP 38 N 0.64 -0.16 -0.79 1.57 -0.00 -0.33 -0.59 115.95 116.29 3h1i h TRP 38 Ca 0.17 -0.00 0.14 0.00 -0.00 0.00 0.00 58.89 59.20 3h1i h TRP 38 Cb -0.06 0.05 -0.14 0.00 -0.00 0.00 0.00 29.16 29.01 3h1i h TRP 38 CO -0.04 0.07 -0.30 -0.09 -0.00 0.00 0.00 178.44 178.09 3h1i h ARG 39 N -0.39 -0.05 0.49 2.65 2.43 0.12 0.22 114.38 119.85 3h1i h ARG 39 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3h1i h ARG 39 Cb 0.31 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3h1i h ARG 39 CO 0.03 -0.04 -0.24 0.00 -1.51 0.00 0.00 179.97 178.22 3h1i h ARG 40 N -0.06 -0.64 -0.92 0.20 3.08 -0.26 -2.87 114.38 112.91 3h1i h ARG 40 Ca 0.33 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.53 3h1i h ARG 40 Cb 0.59 0.15 -0.13 0.00 0.08 0.00 0.00 29.97 30.65 3h1i h ARG 40 CO -0.83 -0.43 -0.46 0.34 -1.07 0.00 0.00 179.97 177.53 3h1i n PHE 41 N -3.91 -0.20 0.00 3.04 -0.00 -0.24 -2.25 117.46 113.90 3h1i n PHE 41 Ca -0.08 1.15 0.00 0.00 -0.00 0.00 0.00 57.45 58.51 3h1i n PHE 41 Cb 0.26 -0.70 0.00 0.00 -0.00 0.00 0.00 39.48 39.04 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 -5.25 0.00 -0.53 -2.13 7.64 0.70 -0.80 113.62 113.25 3h1i n SER 42 Ca 0.05 0.65 0.43 0.00 1.01 0.00 0.00 58.87 61.01 3h1i n SER 42 Cb 0.30 -0.15 0.70 0.00 -1.01 0.00 0.00 64.21 64.05 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 -1.45 0.13 0.00 6.43 3.41 -1.00 -1.72 113.62 119.42 3h1i n SER 43 Ca 0.00 1.19 -0.15 0.00 -0.26 0.00 0.00 58.87 59.65 3h1i n SER 43 Cb 0.00 -0.59 -0.14 0.00 -0.26 0.00 0.00 64.21 63.22 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 0.15 -0.94 4.33 1.08 -0.96 -3.40 115.11 115.37 3h1i h GLN 44 Ca 0.86 -0.26 0.25 0.00 -1.45 0.00 0.00 58.65 58.05 3h1i h GLN 44 Cb 3.04 0.10 -0.13 0.00 -0.05 0.00 0.00 27.48 30.43 3h1i h GLN 44 CO -0.29 0.90 0.45 -0.24 -0.95 0.00 0.00 178.83 178.70 3h1i h VAL 45 N 0.04 0.43 0.00 -0.54 3.04 -0.08 0.11 116.25 119.24 3h1i h VAL 45 Ca -0.34 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3h1i h VAL 45 Cb 2.02 -0.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 3h1i h VAL 45 CO 0.09 0.07 0.00 0.49 -1.01 0.00 0.00 177.57 177.22 3h1i n PHE 46 N -5.04 0.00 -0.05 3.17 3.72 -1.25 -1.73 117.46 116.27 3h1i n PHE 46 Ca 0.25 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.57 3h1i n PHE 46 Cb 0.75 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.24 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 -0.93 0.27 -0.01 -1.08 5.02 0.30 -4.62 118.16 117.11 3h1i n LYS 47 Ca 0.16 0.07 -0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3h1i n LYS 47 Cb 0.07 -1.17 -0.00 0.00 -0.02 0.00 0.00 35.03 33.91 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 -0.06 0.00 -0.82 -0.18 2.07 -1.31 -3.40 116.25 112.55 3h1i h VAL 48 Ca -0.25 -0.36 0.17 0.00 0.82 0.00 0.00 66.70 67.08 3h1i h VAL 48 Cb 1.36 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.97 3h1i h VAL 48 CO -0.06 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.35 3h1i h ALA 49 N -1.64 0.59 -0.92 1.67 0.00 -1.58 -3.20 119.26 114.18 3h1i h ALA 49 Ca -0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3h1i h ALA 49 Cb 0.01 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3h1i h ALA 49 CO 0.00 -0.41 0.00 -2.30 0.00 0.00 0.00 179.25 176.54 3h1i n PRO 50 N -5.51 0.00 -0.16 0.00 -0.02 -1.26 -0.53 135.00 127.52 3h1i n PRO 50 Ca 0.12 0.60 -0.03 0.00 -2.02 0.00 0.00 63.50 62.18 3h1i n PRO 50 Cb 0.44 -0.98 0.04 0.00 -0.02 0.00 0.00 33.50 32.97 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 0.02 -0.13 0.52 0.13 -1.80 0.14 132.00 130.88 3h1i h PRO 51 Ca 0.00 -0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 3h1i h PRO 51 Cb 0.00 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.06 3h1i h PRO 51 CO 0.00 0.01 -0.29 0.74 -0.23 0.00 0.00 178.00 178.23 3h1i h PHE 52 N 0.02 -0.80 -0.53 1.56 0.05 -1.47 0.27 116.94 116.03 3h1i h PHE 52 Ca 0.24 0.04 0.11 0.00 3.82 0.00 0.00 57.97 62.17 3h1i h PHE 52 Cb 0.37 0.37 -0.09 0.00 2.00 0.00 0.00 35.95 38.60 3h1i h PHE 52 CO -0.40 -0.37 -0.03 1.25 -0.18 0.00 0.00 178.31 178.57 3h1i h LEU 53 N -0.36 -0.30 -0.47 1.54 5.85 0.08 0.07 115.31 121.71 3h1i h LEU 53 Ca 0.10 0.14 0.10 0.00 0.84 0.00 0.00 57.88 59.05 3h1i h LEU 53 Cb 0.52 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 3h1i h LEU 53 CO -0.34 -0.11 -0.13 1.23 -0.34 0.00 0.00 178.44 178.75 3h1i h GLY 54 N 0.08 0.32 0.48 3.75 0.00 0.20 -2.68 103.07 105.22 3h1i h GLY 54 Ca 0.27 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 3h1i h GLY 54 CO -0.47 -0.18 -0.29 0.00 0.00 0.00 0.00 176.54 175.60 3h1i h ALA 55 N 1.45 -1.13 -0.43 3.60 0.00 0.12 -2.73 119.26 120.13 3h1i h ALA 55 Ca 0.23 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3h1i h ALA 55 Cb 0.36 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 3h1i h ALA 55 CO -0.49 -1.10 -0.12 0.98 0.00 0.00 0.00 179.25 178.52 3h1i n TYR 56 N -4.13 0.14 0.23 0.00 9.36 -0.21 0.16 117.16 122.71 3h1i n TYR 56 Ca -0.09 0.52 -0.11 0.00 3.32 0.00 0.00 57.90 61.55 3h1i n TYR 56 Cb 0.30 -0.74 -0.06 0.00 -0.63 0.00 0.00 39.34 38.21 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 -0.71 -1.00 2.98 3.38 -1.23 0.58 115.31 119.31 3h1i h LEU 57 Ca 0.20 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.27 3h1i h LEU 57 Cb 0.31 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3h1i h LEU 57 CO -0.44 -0.41 0.77 0.25 0.09 0.00 0.00 178.44 178.70 3h1i h LEU 58 N -0.66 0.00 0.00 1.67 5.85 0.19 1.09 115.31 123.45 3h1i h LEU 58 Ca -0.06 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3h1i h LEU 58 Cb 0.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3h1i h LEU 58 CO 0.04 0.00 -0.22 0.22 -0.34 0.00 0.00 178.44 178.14 3h1i h TYR 59 N 0.00 0.00 -0.16 1.25 3.20 0.13 -2.91 116.97 118.49 3h1i h TYR 59 Ca 0.10 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.02 3h1i h TYR 59 Cb 1.64 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.84 3h1i h TYR 59 CO 0.00 0.30 -0.34 0.77 -1.64 0.00 0.00 178.16 177.25 3h1i h SER 60 N -1.00 -1.07 0.00 -2.11 0.02 0.61 0.13 113.55 110.13 3h1i h SER 60 Ca -0.03 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3h1i h SER 60 Cb 0.40 0.45 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3h1i h SER 60 CO -0.02 -0.37 0.00 1.87 -1.14 0.00 0.00 176.83 177.17 3h1i n TRP 61 N -5.42 0.00 -0.32 3.45 -0.00 0.30 -0.56 117.44 114.89 3h1i n TRP 61 Ca -0.03 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.64 3h1i n TRP 61 Cb 0.33 -0.30 0.36 0.00 -0.00 0.00 0.00 31.31 31.71 3h1i n TRP 61 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 3h1i h GLY 62 N 0.00 1.68 0.70 5.87 0.00 -1.34 0.18 103.07 110.15 3h1i h GLY 62 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.20 3h1i h GLY 62 CO 0.00 -0.37 -0.06 -0.84 0.00 0.00 0.00 176.54 175.27 3h1i h THR 63 N 0.33 0.81 0.43 4.70 2.02 0.15 -1.90 112.91 119.44 3h1i h THR 63 Ca 0.62 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.78 3h1i h THR 63 Cb 1.29 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 3h1i h THR 63 CO -0.59 0.00 -0.21 1.56 0.37 0.00 0.00 175.52 176.65 3h1i h GLN 64 N -0.06 -0.56 -1.41 6.66 4.20 0.17 -2.48 115.11 121.64 3h1i h GLN 64 Ca 0.07 0.04 0.42 0.00 0.06 0.00 0.00 58.65 59.23 3h1i h GLN 64 Cb 0.15 0.13 -0.08 0.00 0.30 0.00 0.00 27.48 27.98 3h1i h GLN 64 CO -0.15 -0.26 0.99 1.49 -0.67 0.00 0.00 178.83 180.23 3h1i h GLU 65 N -1.01 0.06 0.30 1.46 4.57 -0.85 0.48 114.58 119.59 3h1i h GLU 65 Ca -0.06 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3h1i h GLU 65 Cb 0.55 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3h1i h GLU 65 CO 0.10 0.04 -0.14 0.35 -1.18 0.00 0.00 179.01 178.18 3h1i h PHE 66 N 0.07 -0.37 -0.87 0.92 3.57 -1.22 -2.70 116.94 116.33 3h1i h PHE 66 Ca 0.72 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.40 3h1i h PHE 66 Cb 2.65 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 41.45 3h1i h PHE 66 CO -0.00 -0.02 0.58 0.93 -2.23 0.00 0.00 178.31 177.57 3h1i h GLU 67 N -0.88 0.41 -0.30 1.11 4.39 0.29 0.28 114.58 119.88 3h1i h GLU 67 Ca -0.04 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 3h1i h GLU 67 Cb 0.52 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3h1i h GLU 67 CO 0.07 0.27 -0.41 -0.09 -1.16 0.00 0.00 179.01 177.69 3h1i h ARG 68 N 0.42 0.75 0.00 2.33 2.43 -0.74 -2.46 114.38 117.12 3h1i h ARG 68 Ca 0.45 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3h1i h ARG 68 Cb 1.08 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3h1i h ARG 68 CO -0.17 1.02 0.00 1.28 -1.51 0.00 0.00 179.97 180.59 3h1i n LEU 69 N -4.03 0.00 -0.04 3.80 4.77 0.96 -2.00 117.00 120.46 3h1i n LEU 69 Ca -0.02 0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 3h1i n LEU 69 Cb 0.54 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 3h1i n LEU 69 CO 0.47 -0.01 -0.87 0.29 -1.33 0.00 0.00 177.39 175.95 3h1i n LYS 70 N -1.02 0.70 -1.80 3.23 4.76 -0.93 -4.93 118.16 118.16 3h1i n LYS 70 Ca 0.13 0.31 -0.38 0.00 -2.87 0.00 0.00 58.31 55.51 3h1i n LYS 70 Cb 0.07 -1.68 0.05 0.00 -1.84 0.00 0.00 35.03 31.63 3h1i n LYS 70 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3h1i s ARG 71 N -2.51 2.91 0.30 1.97 1.81 -0.84 -4.99 118.95 117.59 3h1i s ARG 71 Ca -0.26 2.12 -0.13 0.00 -1.72 0.00 0.00 55.73 55.74 3h1i s ARG 71 Cb 0.07 -2.07 -0.08 0.00 -0.45 0.00 0.00 34.95 32.42 3h1i s ARG 71 CO 0.69 -1.34 0.67 -1.59 -0.68 0.00 0.00 175.30 173.06 3h1i s LYS 72 N -3.13 3.92 -0.62 3.54 -2.85 -1.26 -5.00 119.74 114.33 3h1i s LYS 72 Ca 0.76 0.52 -0.17 0.00 -1.00 0.00 0.00 55.97 56.08 3h1i s LYS 72 Cb -0.38 -2.50 0.13 0.00 -2.06 0.00 0.00 37.83 33.02 3h1i s LYS 72 CO 0.43 0.20 0.65 1.21 0.10 0.00 0.00 175.35 177.94 3h1i s ASN 73 N -2.37 6.29 0.20 0.03 2.47 -1.26 -4.93 114.94 115.38 3h1i s ASN 73 Ca 0.52 -1.80 0.04 0.00 0.42 0.00 0.00 52.86 52.04 3h1i s ASN 73 Cb -0.11 -2.26 0.21 0.00 -1.45 0.00 0.00 41.25 37.65 3h1i s ASN 73 CO 0.20 -0.93 0.87 -0.81 -3.72 0.00 0.00 177.10 172.70 3h1i n PRO 74 N 5.55 0.03 -0.02 0.43 -0.04 -1.26 -0.53 135.00 139.16 3h1i n PRO 74 Ca -0.06 0.37 0.09 0.00 -0.04 0.00 0.00 63.50 63.86 3h1i n PRO 74 Cb 0.42 -2.06 0.49 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.30 2.58 0.69 0.55 0.00 -1.26 -2.95 120.51 118.82 3h1i n ALA 75 Ca -0.00 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.33 3h1i n ALA 75 Cb 0.47 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.50 0.64 0.00 0.00 8.00 0.31 -4.33 116.55 120.67 3h1i n ASP 76 Ca 0.14 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3h1i n ASP 76 Cb 0.13 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 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 -1.84 0.00 1.45 1.24 4.02 -1.15 -4.69 117.16 116.19 3h1i n TYR 77 Ca 0.03 -0.38 0.10 0.00 -0.01 0.00 0.00 57.90 57.64 3h1i n TYR 77 Cb 0.41 -0.04 0.61 0.00 -0.02 0.00 0.00 39.34 40.30 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 -0.38 0.72 -0.03 -0.72 1.02 -1.21 -1.82 120.64 118.23 3h1i n GLU 78 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 3h1i n GLU 78 Cb 0.28 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 30.15 3h1i n GLU 78 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h1i n ASN 79 N -0.95 1.97 -4.76 1.62 5.03 -1.26 -5.04 115.26 111.88 3h1i n ASN 79 Ca 0.16 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.22 3h1i n ASN 79 Cb 0.07 1.31 0.01 0.00 -1.02 0.00 0.00 39.78 40.16 3h1i n ASN 79 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3h1i s ASP 80 N -3.89 5.78 0.00 6.41 1.11 -0.76 -5.24 116.67 120.09 3h1i s ASP 80 Ca -0.05 2.59 0.00 0.00 0.18 0.00 0.00 52.55 55.26 3h1i s ASP 80 Cb 0.07 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.43 3h1i s ASP 80 CO 0.53 -1.21 0.19 0.00 1.18 0.00 0.00 175.17 175.86