#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pun s LYS 2 N 0.00 3.55 0.04 2.12 2.47 -1.22 -5.09 119.74 121.62 1pun s LYS 2 Ca 0.00 -0.56 0.01 0.00 -1.56 0.00 0.00 55.97 53.86 1pun s LYS 2 Cb 0.00 -2.99 -0.03 0.00 -1.46 0.00 0.00 37.83 33.35 1pun s LYS 2 CO 0.00 0.03 -0.05 0.15 0.16 0.00 0.00 175.35 175.63 1pun s LYS 3 N 0.93 0.52 -0.15 4.03 1.02 -1.26 -0.97 119.74 123.86 1pun s LYS 3 Ca 0.00 -0.88 -0.04 0.00 0.02 0.00 0.00 55.97 55.07 1pun s LYS 3 Cb -0.14 -0.06 0.07 0.00 -0.52 0.00 0.00 37.83 37.18 1pun s LYS 3 CO 0.01 -0.02 0.26 -0.48 -0.92 0.00 0.00 175.35 174.20 1pun s LEU 4 N -1.99 -0.27 0.19 3.17 0.05 0.51 -4.90 118.68 115.44 1pun s LEU 4 Ca -0.06 0.37 0.04 0.00 0.05 0.00 0.00 54.13 54.53 1pun s LEU 4 Cb -0.05 0.63 -0.04 0.00 -2.05 0.00 0.00 46.19 44.69 1pun s LEU 4 CO -0.03 -0.26 0.24 -1.10 -0.55 0.00 0.00 176.35 174.65 1pun s GLN 5 N 2.40 3.19 -0.08 1.48 -0.21 -1.26 -1.69 119.66 123.48 1pun s GLN 5 Ca 0.03 -0.79 -0.08 0.00 0.02 0.00 0.00 55.36 54.54 1pun s GLN 5 Cb -0.13 -2.79 0.02 0.00 1.00 0.00 0.00 33.01 31.12 1pun s GLN 5 CO -0.10 0.47 0.24 0.42 -2.12 0.00 0.00 175.29 174.20 1pun s ILE 6 N -1.85 0.00 -0.10 1.08 1.01 0.12 -3.90 121.20 117.57 1pun s ILE 6 Ca 0.33 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.96 1pun s ILE 6 Cb -0.10 -0.35 0.02 0.00 0.01 0.00 0.00 42.46 42.04 1pun s ILE 6 CO 0.26 -0.02 -0.13 0.00 0.00 0.00 0.00 174.94 175.06 1pun s ALA 7 N 0.04 1.54 0.13 9.38 0.00 -1.23 0.19 121.76 131.80 1pun s ALA 7 Ca -0.01 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1pun s ALA 7 Cb -0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1pun s ALA 7 CO 0.00 -0.13 -0.09 0.14 0.00 0.00 0.00 175.76 175.68 1pun s VAL 8 N 1.11 1.03 0.05 0.00 -7.23 0.40 -3.69 120.40 112.07 1pun s VAL 8 Ca -0.05 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 57.98 1pun s VAL 8 Cb -0.14 -1.75 0.03 0.00 0.56 0.00 0.00 36.38 35.08 1pun s VAL 8 CO -0.03 -0.75 0.36 -0.83 -0.31 0.00 0.00 175.10 173.54 1pun s GLY 9 N -3.04 -0.20 -0.27 2.32 0.00 -1.11 -0.29 107.32 104.72 1pun s GLY 9 Ca 0.14 0.14 -0.14 0.00 0.00 0.00 0.00 44.72 44.86 1pun s GLY 9 CO -0.01 -0.10 0.34 -0.26 0.00 0.00 0.00 173.10 173.08 1pun s ILE 10 N -2.59 5.20 -0.44 0.90 -4.36 -1.21 -4.04 121.20 114.65 1pun s ILE 10 Ca -0.05 0.51 -0.28 0.00 -0.26 0.00 0.00 60.65 60.57 1pun s ILE 10 Cb -0.01 -3.67 0.03 0.00 1.25 0.00 0.00 42.46 40.06 1pun s ILE 10 CO -0.03 0.17 1.08 -0.63 0.24 0.00 0.00 174.94 175.77 1pun s ILE 11 N 2.02 4.32 0.45 8.37 1.01 -1.26 -2.96 121.20 133.15 1pun s ILE 11 Ca 0.14 1.22 -0.19 0.00 0.00 0.00 0.00 60.65 61.82 1pun s ILE 11 Cb -0.16 -4.53 -0.10 0.00 0.01 0.00 0.00 42.46 37.68 1pun s ILE 11 CO 0.10 -0.87 0.95 -0.13 0.00 0.00 0.00 174.94 174.98 1pun s ARG 12 N 4.16 4.12 0.11 2.79 1.81 -1.24 -2.21 118.95 128.50 1pun s ARG 12 Ca 0.45 1.03 0.01 0.00 -1.72 0.00 0.00 55.73 55.50 1pun s ARG 12 Cb -0.09 -2.18 -0.00 0.00 -0.45 0.00 0.00 34.95 32.23 1pun s ARG 12 CO 0.28 -0.09 0.04 -1.71 -0.68 0.00 0.00 175.30 173.13 1pun n ASN 13 N -0.93 1.07 0.33 0.23 5.15 -1.16 -3.11 115.26 116.85 1pun n ASN 13 Ca 0.07 -1.60 -0.18 0.00 -0.60 0.00 0.00 54.58 52.27 1pun n ASN 13 Cb 0.54 0.28 -0.09 0.00 -0.53 0.00 0.00 39.78 39.98 1pun n ASN 13 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1pun h GLU 14 N 0.00 -0.91 0.00 1.20 4.81 -1.88 -2.51 114.58 115.28 1pun h GLU 14 Ca -0.09 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1pun h GLU 14 Cb 0.33 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1pun h GLU 14 CO 0.14 -0.61 0.00 -1.71 -0.73 0.00 0.00 179.01 176.10 1pun n ASN 15 N -5.53 0.00 0.00 1.04 4.05 -1.26 -4.81 115.26 108.75 1pun n ASN 15 Ca -0.12 0.20 0.00 0.00 0.45 0.00 0.00 54.58 55.11 1pun n ASN 15 Cb 0.42 -0.33 0.00 0.00 1.23 0.00 0.00 39.78 41.10 1pun n ASN 15 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1pun n ASN 16 N -1.33 -2.04 -4.61 1.20 5.15 -0.95 -5.04 115.26 107.64 1pun n ASN 16 Ca 0.05 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.68 1pun n ASN 16 Cb 0.10 -0.34 -0.10 0.00 -0.53 0.00 0.00 39.78 38.91 1pun n ASN 16 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1pun s GLU 17 N -0.41 3.93 -0.26 1.20 -1.05 -1.26 -4.64 118.70 116.22 1pun s GLU 17 Ca 0.00 -0.36 -0.09 0.00 -0.15 0.00 0.00 54.97 54.37 1pun s GLU 17 Cb 0.00 -3.26 -0.04 0.00 -0.44 0.00 0.00 34.13 30.39 1pun s GLU 17 CO 0.00 0.19 0.13 -1.50 0.95 0.00 0.00 175.26 175.02 1pun s ILE 18 N 0.61 4.86 -0.39 1.83 -1.16 0.50 -2.96 121.20 124.49 1pun s ILE 18 Ca 0.04 0.01 -0.27 0.00 -0.51 0.00 0.00 60.65 59.92 1pun s ILE 18 Cb -0.13 -3.29 -0.05 0.00 0.61 0.00 0.00 42.46 39.60 1pun s ILE 18 CO 0.01 0.31 2.23 0.12 -2.81 0.00 0.00 174.94 174.80 1pun s PHE 19 N 1.54 1.24 -0.09 3.50 5.36 -0.94 -2.48 117.98 126.11 1pun s PHE 19 Ca 0.06 1.03 -0.01 0.00 -0.96 0.00 0.00 56.93 57.05 1pun s PHE 19 Cb -0.15 -3.81 -0.03 0.00 -0.34 0.00 0.00 43.02 38.69 1pun s PHE 19 CO 0.07 -3.10 -0.02 0.96 -1.46 0.00 0.00 175.22 171.67 1pun s ILE 20 N 9.98 4.15 -0.32 3.12 -4.36 -1.15 -4.45 121.20 128.17 1pun s ILE 20 Ca 0.94 -0.31 -0.29 0.00 -0.26 0.00 0.00 60.65 60.74 1pun s ILE 20 Cb -0.23 -2.74 -0.01 0.00 1.25 0.00 0.00 42.46 40.73 1pun s ILE 20 CO 0.29 0.59 1.64 0.42 0.24 0.00 0.00 174.94 178.13 1pun s THR 21 N -0.74 3.65 -0.03 8.37 -4.23 0.57 -3.49 115.64 119.74 1pun s THR 21 Ca 0.11 0.68 0.04 0.00 -1.18 0.00 0.00 61.69 61.35 1pun s THR 21 Cb -0.11 -3.81 -0.00 0.00 1.34 0.00 0.00 72.50 69.91 1pun s THR 21 CO 0.02 -0.47 -0.16 -0.60 -0.54 0.00 0.00 174.62 172.86 1pun s ARG 22 N 5.20 1.59 -1.23 3.99 3.52 -1.26 -0.76 118.95 129.99 1pun s ARG 22 Ca 0.73 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 1pun s ARG 22 Cb -0.21 -1.43 0.00 0.00 -1.56 0.00 0.00 34.95 31.76 1pun s ARG 22 CO 0.32 0.26 0.00 0.54 -0.81 0.00 0.00 175.30 175.61 1pun n ARG 23 N 3.04 -1.55 0.00 5.12 1.74 -1.26 -4.51 116.66 119.24 1pun n ARG 23 Ca -0.17 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1pun n ARG 23 Cb 0.53 -5.03 0.00 0.00 -1.02 0.00 0.00 32.46 26.95 1pun n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pun n ALA 24 N -0.37 0.00 -3.00 7.54 0.00 -1.26 -2.22 120.51 121.20 1pun n ALA 24 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 1pun n ALA 24 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 1pun n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pun n ALA 25 N 5.39 0.65 -1.52 0.00 0.00 -1.26 -4.21 120.51 119.57 1pun n ALA 25 Ca 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 51.00 1pun n ALA 25 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1pun n ALA 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pun n ASP 26 N 1.68 -7.50 -0.74 0.00 8.00 -0.94 -4.94 116.55 112.11 1pun n ASP 26 Ca 0.16 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.69 1pun n ASP 26 Cb 0.57 -3.77 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 1pun n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pun n ALA 27 N 0.72 0.00 -0.87 2.24 0.00 -1.26 -5.00 120.51 116.35 1pun n ALA 27 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1pun n ALA 27 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1pun n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pun n HIS 28 N -1.47 -2.16 -1.50 0.00 8.25 -1.26 -4.56 115.22 112.51 1pun n HIS 28 Ca 0.00 0.35 -0.41 0.00 -0.26 0.00 0.00 57.72 57.40 1pun n HIS 28 Cb 0.00 -0.48 -0.11 0.00 1.12 0.00 0.00 29.99 30.52 1pun n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pun n MET 29 N -2.06 0.35 0.00 -0.41 -0.00 -1.26 -4.75 117.12 109.00 1pun n MET 29 Ca 0.00 0.02 0.13 0.00 -0.00 0.00 0.00 57.70 57.85 1pun n MET 29 Cb 0.13 -2.10 0.39 0.00 -0.00 0.00 0.00 33.22 31.64 1pun n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pun n ALA 30 N 11.82 3.14 -0.80 3.17 0.00 -1.26 -3.85 120.51 132.73 1pun n ALA 30 Ca 0.56 -0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 1pun n ALA 30 Cb 0.18 -1.22 0.13 0.00 0.00 0.00 0.00 19.45 18.54 1pun n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pun n ASN 31 N -1.36 4.02 -1.24 0.00 4.13 -1.25 -4.16 115.26 115.39 1pun n ASN 31 Ca 0.07 -3.29 -0.03 0.00 1.68 0.00 0.00 54.58 53.01 1pun n ASN 31 Cb 0.33 -0.80 0.22 0.00 -1.54 0.00 0.00 39.78 37.99 1pun n ASN 31 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1pun n LYS 32 N -0.75 2.25 -0.38 3.52 3.00 -1.09 -2.30 118.16 122.41 1pun n LYS 32 Ca 0.47 -3.08 -0.20 0.00 -0.00 0.00 0.00 58.31 55.50 1pun n LYS 32 Cb 1.33 -1.88 -0.04 0.00 0.00 0.00 0.00 35.03 34.44 1pun n LYS 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1pun n LEU 33 N -0.93 1.52 -4.76 3.14 0.00 -0.42 -4.50 117.00 111.04 1pun n LEU 33 Ca 0.33 -1.65 -0.25 0.00 0.00 0.00 0.00 56.01 54.45 1pun n LEU 33 Cb 1.08 -0.66 -0.06 0.00 0.00 0.00 0.00 43.42 43.78 1pun n LEU 33 CO 0.24 -1.05 -0.13 -0.70 0.00 0.00 0.00 177.39 175.74 1pun s GLU 34 N 5.28 2.25 0.39 1.96 2.12 0.06 -4.37 118.70 126.39 1pun s GLU 34 Ca 0.31 -1.86 0.08 0.00 0.36 0.00 0.00 54.97 53.86 1pun s GLU 34 Cb 0.07 -2.01 -0.08 0.00 0.26 0.00 0.00 34.13 32.38 1pun s GLU 34 CO 0.10 -0.17 -0.02 -0.59 -0.54 0.00 0.00 175.26 174.04 1pun s PHE 35 N -2.62 2.48 1.06 5.30 -0.71 -1.26 -0.31 117.98 121.93 1pun s PHE 35 Ca 0.40 -0.62 -0.21 0.00 -1.04 0.00 0.00 56.93 55.45 1pun s PHE 35 Cb 0.03 -1.66 -0.01 0.00 -1.21 0.00 0.00 43.02 40.16 1pun s PHE 35 CO 0.22 0.49 -0.54 -0.35 -1.34 0.00 0.00 175.22 173.70 1pun n PRO 36 N -0.92 -0.91 0.00 1.99 -0.04 -1.26 -4.73 135.00 129.14 1pun n PRO 36 Ca -0.05 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1pun n PRO 36 Cb 0.66 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1pun n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pun n GLY 37 N 2.56 0.82 2.89 0.55 0.00 -1.25 -2.74 105.19 108.03 1pun n GLY 37 Ca -0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 1pun n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pun s GLY 38 N -1.69 0.45 0.00 -0.02 0.00 -1.24 -3.56 107.32 101.26 1pun s GLY 38 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1pun s GLY 38 CO 0.00 0.43 0.00 1.17 0.00 0.00 0.00 173.10 174.70 1pun n LYS 39 N 4.03 0.00 0.07 2.90 4.81 -1.26 -4.97 118.16 123.74 1pun n LYS 39 Ca -0.25 0.04 -0.13 0.00 -0.87 0.00 0.00 58.31 57.09 1pun n LYS 39 Cb 0.51 -2.20 -0.14 0.00 0.02 0.00 0.00 35.03 33.22 1pun n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1pun h ILE 40 N 0.00 1.39 0.00 3.15 3.07 -1.84 -3.40 117.51 119.89 1pun h ILE 40 Ca 0.00 -3.04 0.00 0.00 1.55 0.00 0.00 64.86 63.37 1pun h ILE 40 Cb 0.54 2.82 0.00 0.00 -0.27 0.00 0.00 36.82 39.92 1pun h ILE 40 CO 0.00 0.86 0.00 -1.84 -1.05 0.00 0.00 178.15 176.12 1pun n GLU 41 N -3.42 0.00 0.00 0.16 0.28 -1.25 -4.42 120.64 111.99 1pun n GLU 41 Ca -0.10 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1pun n GLU 41 Cb 1.01 -0.70 0.00 0.00 1.43 0.00 0.00 31.44 33.18 1pun n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1pun n MET 42 N -0.36 0.00 -0.95 3.44 2.81 -1.26 -2.69 117.12 118.11 1pun n MET 42 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1pun n MET 42 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1pun n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pun n GLY 43 N 0.00 -0.25 0.00 3.03 0.00 -1.26 -5.12 105.19 101.59 1pun n GLY 43 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1pun n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pun n GLU 44 N -0.11 1.11 -3.81 1.61 4.71 -1.09 -5.08 120.64 117.98 1pun n GLU 44 Ca -0.06 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.88 1pun n GLU 44 Cb 0.43 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.84 1pun n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1pun s THR 45 N 0.39 4.63 0.56 2.62 2.01 -1.26 -4.78 115.64 119.80 1pun s THR 45 Ca 0.00 -1.07 0.42 0.00 0.31 0.00 0.00 61.69 61.34 1pun s THR 45 Cb 0.00 -3.60 0.62 0.00 0.01 0.00 0.00 72.50 69.52 1pun s THR 45 CO 0.00 -0.26 1.66 1.55 -0.69 0.00 0.00 174.62 176.88 1pun h PRO 46 N 1.12 0.00 0.00 4.92 0.13 -1.99 0.25 132.00 136.43 1pun h PRO 46 Ca -0.49 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.31 1pun h PRO 46 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 1pun h PRO 46 CO 0.58 0.00 -2.16 0.39 -0.23 0.00 0.00 178.00 176.58 1pun n GLU 47 N -3.97 0.46 0.00 0.86 4.71 -1.26 -4.54 120.64 116.90 1pun n GLU 47 Ca 0.33 0.17 0.11 0.00 -0.01 0.00 0.00 57.16 57.75 1pun n GLU 47 Cb 1.58 -1.30 0.57 0.00 -1.01 0.00 0.00 31.44 31.29 1pun n GLU 47 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pun n GLN 48 N -3.66 0.42 -0.07 3.49 -0.00 -0.92 -1.78 117.38 114.86 1pun n GLN 48 Ca -0.39 0.06 -0.11 0.00 -0.00 0.00 0.00 57.00 56.56 1pun n GLN 48 Cb 0.82 -1.50 -0.10 0.00 -0.00 0.00 0.00 30.24 29.46 1pun n GLN 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pun h ALA 49 N 3.11 0.00 0.15 2.61 0.00 -0.77 -3.28 119.26 121.09 1pun h ALA 49 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 54.91 54.24 1pun h ALA 49 Cb 0.14 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pun h ALA 49 CO 0.00 0.01 -1.28 -0.24 0.00 0.00 0.00 179.25 177.74 1pun h VAL 50 N -1.00 1.44 -0.96 0.00 3.04 -1.78 -3.27 116.25 113.72 1pun h VAL 50 Ca -0.00 -2.93 0.22 0.00 -1.01 0.00 0.00 66.70 62.98 1pun h VAL 50 Cb 0.75 2.93 -0.08 0.00 -2.01 0.00 0.00 31.29 32.89 1pun h VAL 50 CO -0.00 0.86 0.63 0.58 -1.01 0.00 0.00 177.57 178.63 1pun h VAL 51 N 0.11 0.63 0.00 1.51 2.07 -1.52 1.32 116.25 120.37 1pun h VAL 51 Ca -0.16 -0.14 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 1pun h VAL 51 Cb 1.99 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1pun h VAL 51 CO 0.22 0.08 -0.74 -0.09 0.02 0.00 0.00 177.57 177.05 1pun h ARG 52 N 0.41 0.00 0.17 1.57 2.43 -1.62 -3.18 114.38 114.16 1pun h ARG 52 Ca 0.51 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.38 1pun h ARG 52 Cb 1.28 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.86 1pun h ARG 52 CO -0.22 0.74 -1.32 0.93 -1.51 0.00 0.00 179.97 178.60 1pun h GLU 53 N 0.00 0.51 -0.66 0.20 3.07 -0.33 -2.75 114.58 114.62 1pun h GLU 53 Ca -0.01 -0.77 0.14 0.00 -0.50 0.00 0.00 59.36 58.23 1pun h GLU 53 Cb 1.43 0.27 -0.12 0.00 -0.84 0.00 0.00 28.75 29.49 1pun h GLU 53 CO 0.10 1.35 -0.04 1.25 -1.40 0.00 0.00 179.01 180.27 1pun h LEU 54 N 0.18 -0.37 -0.33 1.33 5.85 0.15 2.00 115.31 124.12 1pun h LEU 54 Ca -0.20 0.18 -0.19 0.00 0.84 0.00 0.00 57.88 58.51 1pun h LEU 54 Cb 2.00 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 43.34 1pun h LEU 54 CO 0.24 -0.16 -0.84 -0.61 -0.34 0.00 0.00 178.44 176.73 1pun h GLN 55 N 0.08 0.18 0.00 1.25 -0.00 -1.64 -1.90 115.11 113.08 1pun h GLN 55 Ca 0.35 -0.19 -0.04 0.00 -0.00 0.00 0.00 58.65 58.76 1pun h GLN 55 Cb 0.57 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.10 1pun h GLN 55 CO -0.60 0.92 -0.20 1.49 0.00 0.00 0.00 178.83 180.44 1pun h GLU 56 N 0.11 0.00 -0.23 1.69 4.81 -0.12 0.65 114.58 121.49 1pun h GLU 56 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1pun h GLU 56 Cb 1.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.84 1pun h GLU 56 CO 0.13 0.20 0.00 0.39 -0.73 0.00 0.00 179.01 178.99 1pun n GLU 57 N -3.40 1.92 0.00 1.92 4.71 0.64 0.17 120.64 126.60 1pun n GLU 57 Ca -0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 57.16 55.40 1pun n GLU 57 Cb 0.40 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 1pun n GLU 57 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1pun n VAL 58 N 0.72 0.00 -0.92 2.62 0.31 -0.73 -4.00 118.33 116.34 1pun n VAL 58 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1pun n VAL 58 Cb 0.40 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1pun n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pun n GLY 59 N 2.01 0.06 0.00 2.92 0.00 0.23 -0.86 105.19 109.54 1pun n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pun n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1pun n ILE 60 N -2.09 0.00 -3.48 -0.61 -5.35 -1.26 -4.82 119.36 101.75 1pun n ILE 60 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 1pun n ILE 60 Cb 0.37 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.22 1pun n ILE 60 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1pun s THR 61 N -0.90 4.92 -0.10 7.28 -1.32 -1.26 -4.89 115.64 119.37 1pun s THR 61 Ca 0.00 -2.73 0.00 0.00 -1.21 0.00 0.00 61.69 57.75 1pun s THR 61 Cb 0.00 -4.08 -0.03 0.00 -1.51 0.00 0.00 72.50 66.89 1pun s THR 61 CO 0.00 -0.98 -0.09 -2.16 -2.21 0.00 0.00 174.62 169.18 1pun s PRO 62 N -0.03 3.03 -1.22 7.08 0.04 -1.26 0.05 135.00 142.68 1pun s PRO 62 Ca 0.18 -0.59 -0.20 0.00 0.04 0.00 0.00 61.00 60.43 1pun s PRO 62 Cb -0.14 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 1pun s PRO 62 CO -0.07 0.48 1.87 1.04 0.04 0.00 0.00 177.00 180.36 1pun n GLN 63 N 2.76 2.34 -4.49 4.56 6.02 0.58 -4.82 117.38 124.34 1pun n GLN 63 Ca -0.18 -2.78 -0.33 0.00 -0.01 0.00 0.00 57.00 53.70 1pun n GLN 63 Cb 0.53 -3.55 -0.16 0.00 1.02 0.00 0.00 30.24 28.08 1pun n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1pun s HIS 64 N 7.31 2.76 -0.69 1.08 2.46 -1.25 0.36 115.29 127.31 1pun s HIS 64 Ca 0.60 -1.19 0.00 0.00 0.47 0.00 0.00 55.06 54.94 1pun s HIS 64 Cb 0.03 -1.88 0.00 0.00 -0.13 0.00 0.00 32.58 30.60 1pun s HIS 64 CO 0.10 -0.56 0.00 0.34 -2.47 0.00 0.00 174.74 172.15 1pun n PHE 65 N 4.17 0.00 -0.47 3.88 -0.00 -1.25 -4.93 117.46 118.85 1pun n PHE 65 Ca -0.19 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.28 1pun n PHE 65 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 39.98 1pun n PHE 65 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1pun n SER 66 N 0.42 -2.55 -4.17 -2.13 2.88 -1.26 -2.87 113.62 103.94 1pun n SER 66 Ca 0.00 0.52 -0.34 0.00 -1.33 0.00 0.00 58.87 57.72 1pun n SER 66 Cb 0.00 -1.24 -0.14 0.00 -0.75 0.00 0.00 64.21 62.08 1pun n SER 66 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1pun s LEU 67 N -4.40 3.44 0.15 2.46 0.20 -1.26 0.99 118.68 120.27 1pun s LEU 67 Ca 0.00 -1.09 -0.03 0.00 0.69 0.00 0.00 54.13 53.70 1pun s LEU 67 Cb 0.00 -1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 44.09 1pun s LEU 67 CO 0.00 -0.18 1.37 0.15 -0.29 0.00 0.00 176.35 177.40 1pun h PHE 68 N 7.96 0.57 -1.82 5.38 3.04 -1.18 -3.43 116.94 127.46 1pun h PHE 68 Ca -0.27 -0.28 0.25 0.00 3.98 0.00 0.00 57.97 61.65 1pun h PHE 68 Cb 1.08 -0.08 -0.12 0.00 2.56 0.00 0.00 35.95 39.39 1pun h PHE 68 CO 0.60 1.07 0.68 -2.00 -2.02 0.00 0.00 178.31 176.63 1pun s GLU 69 N -3.44 0.68 -0.07 1.11 2.12 -1.09 -5.01 118.70 112.99 1pun s GLU 69 Ca -0.06 -0.35 -0.04 0.00 0.36 0.00 0.00 54.97 54.88 1pun s GLU 69 Cb 0.10 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.77 1pun s GLU 69 CO 0.85 -0.31 0.17 -1.59 -0.54 0.00 0.00 175.26 173.84 1pun s LYS 70 N -2.77 0.14 -0.34 4.30 -2.85 -1.26 0.14 119.74 117.10 1pun s LYS 70 Ca 0.12 0.37 -0.15 0.00 -1.00 0.00 0.00 55.97 55.31 1pun s LYS 70 Cb 0.01 -0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 35.66 1pun s LYS 70 CO -0.03 -0.13 0.35 -1.17 0.10 0.00 0.00 175.35 174.47 1pun s LEU 71 N 0.94 4.41 -0.32 2.77 2.96 0.52 -4.92 118.68 125.03 1pun s LEU 71 Ca -0.07 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 1pun s LEU 71 Cb -0.09 -2.32 0.06 0.00 0.50 0.00 0.00 46.19 44.34 1pun s LEU 71 CO -0.05 -0.32 0.04 -0.70 -1.32 0.00 0.00 176.35 174.00 1pun s GLU 72 N 1.99 2.35 -0.05 1.98 2.12 -1.26 -0.21 118.70 125.62 1pun s GLU 72 Ca 0.11 -1.37 -0.02 0.00 0.36 0.00 0.00 54.97 54.06 1pun s GLU 72 Cb -0.17 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 31.00 1pun s GLU 72 CO 0.11 -0.70 0.12 -0.47 -0.54 0.00 0.00 175.26 173.78 1pun s TYR 73 N 1.23 -0.12 -0.19 5.30 5.04 -1.03 -5.07 117.35 122.52 1pun s TYR 73 Ca -0.02 0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 54.99 1pun s TYR 73 Cb -0.20 -0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.00 1pun s TYR 73 CO -0.02 -0.15 -0.13 -1.83 -1.34 0.00 0.00 175.55 172.09 1pun s GLU 74 N 1.10 3.21 0.43 4.97 -1.05 -1.26 -1.09 118.70 125.02 1pun s GLU 74 Ca -0.09 -0.72 -0.01 0.00 -0.15 0.00 0.00 54.97 54.00 1pun s GLU 74 Cb -0.11 -2.75 -0.02 0.00 -0.44 0.00 0.00 34.13 30.81 1pun s GLU 74 CO -0.05 -0.13 0.67 -0.06 0.95 0.00 0.00 175.26 176.64 1pun s PHE 75 N 1.19 3.35 -0.03 4.83 0.40 -0.06 -4.87 117.98 122.80 1pun s PHE 75 Ca 0.02 0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.72 1pun s PHE 75 Cb -0.14 -2.22 -0.01 0.00 0.51 0.00 0.00 43.02 41.16 1pun s PHE 75 CO -0.05 -0.24 0.72 -2.30 0.70 0.00 0.00 175.22 174.05 1pun n PRO 76 N -2.05 0.00 0.00 0.24 -0.01 -1.26 -1.23 135.00 130.69 1pun n PRO 76 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 1pun n PRO 76 Cb 0.57 -0.68 0.00 0.00 -0.01 0.00 0.00 33.50 33.38 1pun n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 1pun n ASP 77 N 3.09 0.00 -4.55 2.55 2.03 -1.26 -4.94 116.55 113.47 1pun n ASP 77 Ca 0.02 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.91 1pun n ASP 77 Cb 0.33 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.69 1pun n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1pun s ARG 78 N 0.00 3.47 0.16 -0.67 3.00 -0.36 -3.41 118.95 121.14 1pun s ARG 78 Ca 0.00 0.06 0.01 0.00 -1.00 0.00 0.00 55.73 54.79 1pun s ARG 78 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 34.95 30.94 1pun s ARG 78 CO 0.00 -1.37 0.32 -1.58 0.00 0.00 0.00 175.30 172.67 1pun s HIS 79 N 3.99 3.49 -0.01 5.12 5.65 -0.14 -0.88 115.29 132.50 1pun s HIS 79 Ca 0.36 0.22 0.01 0.00 0.25 0.00 0.00 55.06 55.91 1pun s HIS 79 Cb -0.10 -1.75 0.01 0.00 -1.18 0.00 0.00 32.58 29.55 1pun s HIS 79 CO 0.24 0.47 -0.04 -1.50 -0.65 0.00 0.00 174.74 173.26 1pun s ILE 80 N -1.76 0.36 -0.04 0.89 2.07 -0.25 -0.36 121.20 122.11 1pun s ILE 80 Ca 0.36 -0.14 0.01 0.00 -1.41 0.00 0.00 60.65 59.47 1pun s ILE 80 Cb -0.11 -0.35 0.02 0.00 0.13 0.00 0.00 42.46 42.15 1pun s ILE 80 CO 0.29 0.13 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.52 1pun s THR 81 N 0.23 0.48 -0.20 4.00 2.01 -0.68 -2.45 115.64 119.03 1pun s THR 81 Ca -0.02 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 1pun s THR 81 Cb -0.06 -0.52 0.01 0.00 0.01 0.00 0.00 72.50 71.94 1pun s THR 81 CO -0.00 0.21 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.25 1pun s LEU 82 N 0.93 2.51 -0.24 4.42 1.43 0.71 0.16 118.68 128.59 1pun s LEU 82 Ca -0.11 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.31 1pun s LEU 82 Cb -0.14 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1pun s LEU 82 CO -0.00 -0.01 0.28 0.26 0.23 0.00 0.00 176.35 177.10 1pun s TRP 83 N 1.37 3.30 -0.24 0.29 0.51 0.13 0.19 118.94 124.49 1pun s TRP 83 Ca 0.05 0.35 -0.10 0.00 -2.12 0.00 0.00 56.10 54.28 1pun s TRP 83 Cb -0.14 -2.43 -0.04 0.00 -0.81 0.00 0.00 33.47 30.05 1pun s TRP 83 CO -0.08 -0.06 0.14 -0.06 -0.51 0.00 0.00 176.95 176.37 1pun s PHE 84 N 1.49 3.24 -0.18 -1.98 0.40 0.38 0.15 117.98 121.48 1pun s PHE 84 Ca 0.12 0.06 -0.05 0.00 -0.60 0.00 0.00 56.93 56.47 1pun s PHE 84 Cb -0.15 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.09 1pun s PHE 84 CO 0.08 -0.05 -0.01 -1.58 0.70 0.00 0.00 175.22 174.36 1pun s TRP 85 N 1.22 3.05 -0.81 0.36 0.52 0.60 -0.70 118.94 123.17 1pun s TRP 85 Ca 0.06 -0.37 -0.25 0.00 0.02 0.00 0.00 56.10 55.56 1pun s TRP 85 Cb -0.14 -2.04 0.04 0.00 -1.15 0.00 0.00 33.47 30.18 1pun s TRP 85 CO 0.05 -0.15 1.28 -1.17 0.02 0.00 0.00 176.95 176.99 1pun s LEU 86 N 0.74 3.48 0.41 2.99 2.96 0.28 -3.32 118.68 126.22 1pun s LEU 86 Ca -0.00 -0.84 -0.24 0.00 -0.22 0.00 0.00 54.13 52.83 1pun s LEU 86 Cb -0.14 -2.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.92 1pun s LEU 86 CO 0.02 -1.67 1.04 -0.69 -1.32 0.00 0.00 176.35 173.73 1pun s VAL 87 N 5.21 3.77 -0.04 1.68 1.01 -1.15 -3.91 120.40 126.97 1pun s VAL 87 Ca 0.36 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.71 1pun s VAL 87 Cb -0.07 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 1pun s VAL 87 CO 0.07 -0.03 0.06 -0.62 0.00 0.00 0.00 175.10 174.58 1pun n GLU 88 N -0.17 2.04 -3.65 2.72 1.02 0.16 -3.69 120.64 119.07 1pun n GLU 88 Ca 0.05 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.10 1pun n GLU 88 Cb 0.50 -1.14 -0.02 0.00 -0.02 0.00 0.00 31.44 30.76 1pun n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1pun s ARG 89 N -2.23 1.31 -0.18 3.49 6.06 0.63 -4.06 118.95 123.97 1pun s ARG 89 Ca -0.03 -0.64 -0.06 0.00 -2.50 0.00 0.00 55.73 52.51 1pun s ARG 89 Cb 0.02 0.51 0.09 0.00 0.06 0.00 0.00 34.95 35.63 1pun s ARG 89 CO 0.23 -0.59 0.37 1.67 -2.50 0.00 0.00 175.30 174.48 1pun s TRP 90 N -3.55 -0.69 0.50 5.12 -2.14 -1.21 -0.31 118.94 116.67 1pun s TRP 90 Ca 0.08 1.31 -0.21 0.00 2.66 0.00 0.00 56.10 59.94 1pun s TRP 90 Cb -0.03 0.18 -0.07 0.00 -3.10 0.00 0.00 33.47 30.45 1pun s TRP 90 CO -0.02 -0.46 1.10 -2.00 -2.66 0.00 0.00 176.95 172.90 1pun s GLU 91 N 2.55 3.61 6.05 3.25 2.12 0.11 -4.79 118.70 131.60 1pun s GLU 91 Ca 0.00 1.55 0.00 0.00 0.36 0.00 0.00 54.97 56.88 1pun s GLU 91 Cb -0.12 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.14 1pun s GLU 91 CO -0.12 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.39 1pun n GLY 92 N 0.09 3.35 3.43 -1.50 0.00 -1.26 -4.27 105.19 105.02 1pun n GLY 92 Ca 0.10 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1pun n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pun s GLU 93 N 0.00 2.34 0.01 1.61 2.12 -1.26 -5.11 118.70 118.41 1pun s GLU 93 Ca 0.00 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.23 1pun s GLU 93 Cb 0.00 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 1pun s GLU 93 CO 0.00 0.60 1.11 -2.14 -0.54 0.00 0.00 175.26 174.28 1pun s PRO 94 N -0.77 4.47 0.29 4.30 0.02 -1.26 -4.70 135.00 137.34 1pun s PRO 94 Ca 0.11 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.74 1pun s PRO 94 Cb -0.10 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1pun s PRO 94 CO 0.01 -0.22 0.00 -2.67 -0.33 0.00 0.00 177.00 173.79 1pun n TRP 95 N 4.19 -2.72 0.00 6.54 4.27 -0.04 -4.97 117.44 124.72 1pun n TRP 95 Ca 0.08 0.61 0.00 0.00 -3.89 0.00 0.00 57.50 54.30 1pun n TRP 95 Cb 0.48 1.19 0.00 0.00 -1.36 0.00 0.00 31.31 31.62 1pun n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1pun n GLY 96 N 0.92 0.57 0.00 -1.67 0.00 -0.13 -3.55 105.19 101.33 1pun n GLY 96 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1pun n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pun n LYS 97 N 0.00 0.00 -0.33 1.61 4.81 0.46 -4.70 118.16 120.01 1pun n LYS 97 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1pun n LYS 97 Cb 0.00 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.13 1pun n LYS 97 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1pun h GLU 98 N 0.00 1.21 0.00 1.64 4.11 -1.72 -3.46 114.58 116.36 1pun h GLU 98 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1pun h GLU 98 Cb 0.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1pun h GLU 98 CO 0.00 0.86 0.00 0.41 0.07 0.00 0.00 179.01 180.35 1pun n GLY 99 N -1.18 2.41 3.48 1.06 0.00 -1.26 -5.00 105.19 104.69 1pun n GLY 99 Ca 0.09 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1pun n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pun s GLN 100 N 0.00 3.55 0.48 1.61 -0.21 -1.26 -5.08 119.66 118.76 1pun s GLN 100 Ca 0.00 -0.58 -0.22 0.00 0.02 0.00 0.00 55.36 54.59 1pun s GLN 100 Cb 0.00 -3.56 -0.09 0.00 1.00 0.00 0.00 33.01 30.36 1pun s GLN 100 CO 0.00 -0.32 0.83 -2.30 -2.12 0.00 0.00 175.29 171.38 1pun n PRO 101 N 5.00 0.96 -4.41 2.91 -0.02 -1.26 -4.59 135.00 133.59 1pun n PRO 101 Ca -0.14 0.35 -0.22 0.00 -2.02 0.00 0.00 63.50 61.47 1pun n PRO 101 Cb 0.50 -1.90 -0.08 0.00 -0.02 0.00 0.00 33.50 31.99 1pun n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1pun s GLY 102 N -0.96 2.38 0.04 -1.23 0.00 -1.26 -4.11 107.32 102.19 1pun s GLY 102 Ca 0.67 -1.59 0.03 0.00 0.00 0.00 0.00 44.72 43.82 1pun s GLY 102 CO 0.55 -1.68 -0.09 1.85 0.00 0.00 0.00 173.10 173.73 1pun s GLU 103 N -3.68 0.62 -0.32 2.90 2.12 -1.23 -4.91 118.70 114.20 1pun s GLU 103 Ca 0.31 -0.72 -0.28 0.00 0.36 0.00 0.00 54.97 54.64 1pun s GLU 103 Cb 0.03 -0.49 -0.07 0.00 0.26 0.00 0.00 34.13 33.87 1pun s GLU 103 CO 0.19 0.11 2.28 0.91 -0.54 0.00 0.00 175.26 178.20 1pun n TRP 104 N 1.68 1.76 -4.51 5.30 8.01 -1.26 -2.92 117.44 125.49 1pun n TRP 104 Ca -0.21 -0.01 -0.25 0.00 -1.31 0.00 0.00 57.50 55.72 1pun n TRP 104 Cb 0.55 -2.68 -0.10 0.00 -2.01 0.00 0.00 31.31 27.07 1pun n TRP 104 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1pun s MET 105 N 6.91 1.77 -0.17 -0.99 -1.94 -1.03 -4.80 119.30 119.05 1pun s MET 105 Ca 1.02 -1.87 -0.26 0.00 -1.71 0.00 0.00 55.69 52.87 1pun s MET 105 Cb -0.36 -1.74 -0.01 0.00 2.01 0.00 0.00 34.83 34.73 1pun s MET 105 CO 0.34 0.21 0.88 -1.54 -0.01 0.00 0.00 175.02 174.90 1pun s SER 106 N -3.57 7.00 0.37 3.03 1.04 -1.26 0.19 113.70 120.50 1pun s SER 106 Ca 0.32 1.23 0.25 0.00 0.48 0.00 0.00 55.95 58.23 1pun s SER 106 Cb -0.00 -2.47 0.61 0.00 0.10 0.00 0.00 66.02 64.25 1pun s SER 106 CO 0.16 -0.44 1.70 0.25 0.98 0.00 0.00 173.24 175.89 1pun h LEU 107 N 8.46 0.00 -1.51 2.42 5.85 -1.86 -3.29 115.31 125.37 1pun h LEU 107 Ca -0.28 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1pun h LEU 107 Cb 1.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1pun h LEU 107 CO 0.86 0.00 0.55 1.62 -0.34 0.00 0.00 178.44 181.12 1pun h VAL 108 N 0.00 0.06 -1.27 1.05 3.04 -1.92 -2.30 116.25 114.92 1pun h VAL 108 Ca 0.00 0.00 -0.39 0.00 -1.01 0.00 0.00 66.70 65.30 1pun h VAL 108 Cb 0.85 0.48 -0.39 0.00 -2.01 0.00 0.00 31.29 30.22 1pun h VAL 108 CO 0.00 0.00 -1.15 0.61 -1.01 0.00 0.00 177.57 176.02 1pun n GLY 109 N -1.35 2.17 3.74 3.17 0.00 -1.24 -5.12 105.19 106.56 1pun n GLY 109 Ca 0.01 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 1pun n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pun s LEU 110 N -2.88 3.59 -0.29 0.99 0.20 -0.87 -5.01 118.68 114.41 1pun s LEU 110 Ca 0.31 2.50 -0.01 0.00 0.69 0.00 0.00 54.13 57.62 1pun s LEU 110 Cb 0.42 -4.61 0.05 0.00 -0.43 0.00 0.00 46.19 41.62 1pun s LEU 110 CO -0.01 -1.85 -0.02 0.20 -0.29 0.00 0.00 176.35 174.38 1pun s ASN 111 N -1.54 4.82 0.32 3.68 -0.87 -1.26 -4.93 114.94 115.15 1pun s ASN 111 Ca 0.80 -1.29 0.26 0.00 -1.57 0.00 0.00 52.86 51.05 1pun s ASN 111 Cb -0.34 -1.68 0.99 0.00 -0.02 0.00 0.00 41.25 40.20 1pun s ASN 111 CO 0.37 -0.25 1.77 0.00 -2.57 0.00 0.00 177.10 176.43 1pun h ALA 112 N 7.96 1.00 0.10 0.60 0.00 -1.92 -2.74 119.26 124.26 1pun h ALA 112 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 1pun h ALA 112 Cb 1.06 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1pun h ALA 112 CO 0.52 0.00 -1.16 0.38 0.00 0.00 0.00 179.25 178.99 1pun h ASP 113 N 0.00 0.51 0.74 0.00 3.04 -1.96 -3.23 116.42 115.53 1pun h ASP 113 Ca 0.00 -0.50 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 1pun h ASP 113 Cb 0.49 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.62 1pun h ASP 113 CO 0.00 1.35 -0.24 0.47 -2.04 0.00 0.00 179.24 178.78 1pun n ASP 114 N -3.63 0.25 -4.83 4.15 8.00 -1.10 -4.87 116.55 114.51 1pun n ASP 114 Ca -0.09 0.11 -0.22 0.00 0.71 0.00 0.00 54.79 55.31 1pun n ASP 114 Cb 0.96 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.89 1pun n ASP 114 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1pun s PHE 115 N -2.99 3.02 0.13 1.24 -0.71 -1.05 -1.30 117.98 116.32 1pun s PHE 115 Ca 0.13 -0.19 -0.34 0.00 -1.04 0.00 0.00 56.93 55.48 1pun s PHE 115 Cb 0.18 -1.57 -0.14 0.00 -1.21 0.00 0.00 43.02 40.29 1pun s PHE 115 CO 0.61 0.38 1.57 -0.35 -1.34 0.00 0.00 175.22 176.09 1pun n PRO 116 N -1.26 2.04 0.15 1.99 -0.04 -0.97 -4.77 135.00 132.14 1pun n PRO 116 Ca -0.05 0.74 0.11 0.00 -0.04 0.00 0.00 63.50 64.26 1pun n PRO 116 Cb 0.59 -2.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.10 1pun n PRO 116 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1pun n PRO 117 N 3.54 0.16 0.26 0.54 -0.04 -1.26 -2.24 135.00 135.95 1pun n PRO 117 Ca 0.17 0.55 0.10 0.00 -0.04 0.00 0.00 63.50 64.28 1pun n PRO 117 Cb 0.28 -1.92 0.69 0.00 -0.04 0.00 0.00 33.50 32.50 1pun n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pun h ALA 118 N 2.11 1.58 -0.05 0.55 0.00 -1.97 -1.77 119.26 119.72 1pun h ALA 118 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pun h ALA 118 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pun h ALA 118 CO 0.00 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1pun n ASN 119 N -4.05 2.32 -0.36 0.00 3.02 -0.95 -4.59 115.26 110.65 1pun n ASN 119 Ca -0.02 -1.65 0.08 0.00 -0.03 0.00 0.00 54.58 52.96 1pun n ASN 119 Cb 0.18 -0.02 0.25 0.00 -0.61 0.00 0.00 39.78 39.58 1pun n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1pun h GLU 120 N 2.92 0.91 -0.91 3.52 4.81 -1.32 -2.72 114.58 121.79 1pun h GLU 120 Ca 0.00 -0.05 0.26 0.00 -0.13 0.00 0.00 59.36 59.43 1pun h GLU 120 Cb 0.64 -0.21 -0.15 0.00 0.63 0.00 0.00 28.75 29.66 1pun h GLU 120 CO 0.00 0.60 0.26 -1.35 -0.73 0.00 0.00 179.01 177.79 1pun h PRO 121 N 0.94 0.18 0.01 0.92 0.11 -1.81 2.00 132.00 134.35 1pun h PRO 121 Ca 0.51 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.61 1pun h PRO 121 Cb 0.57 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1pun h PRO 121 CO -0.29 0.12 -0.01 0.28 -0.21 0.00 0.00 178.00 177.89 1pun h VAL 122 N 0.18 1.02 0.00 3.15 2.07 -1.85 -3.34 116.25 117.49 1pun h VAL 122 Ca 0.59 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 1pun h VAL 122 Cb 1.23 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1pun h VAL 122 CO -0.69 0.34 -0.17 0.40 0.02 0.00 0.00 177.57 177.47 1pun h ILE 123 N -0.99 0.89 -0.29 4.57 1.08 -1.38 -2.78 117.51 118.61 1pun h ILE 123 Ca -0.00 -0.65 0.06 0.00 -0.39 0.00 0.00 64.86 63.88 1pun h ILE 123 Cb 0.57 1.37 -0.06 0.00 -3.07 0.00 0.00 36.82 35.64 1pun h ILE 123 CO 0.00 0.17 -0.08 0.00 -0.69 0.00 0.00 178.15 177.56 1pun h ALA 124 N 1.83 0.19 -0.24 1.87 0.00 0.31 2.08 119.26 125.30 1pun h ALA 124 Ca -0.00 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1pun h ALA 124 Cb 0.36 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1pun h ALA 124 CO 0.02 -0.47 -0.08 -0.22 0.00 0.00 0.00 179.25 178.50 1pun h LYS 125 N -0.01 -0.04 0.00 0.00 3.11 -1.60 0.11 116.57 118.14 1pun h LYS 125 Ca 0.14 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.98 1pun h LYS 125 Cb 0.22 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1pun h LYS 125 CO -0.31 -0.02 -0.01 1.25 -2.81 0.00 0.00 179.45 177.55 1pun h LEU 126 N -0.04 0.01 -1.11 5.20 5.85 -1.52 -3.33 115.31 120.37 1pun h LEU 126 Ca 0.12 -0.92 0.20 0.00 0.84 0.00 0.00 57.88 58.12 1pun h LEU 126 Cb 0.22 -0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.15 1pun h LEU 126 CO -0.27 0.93 0.62 0.50 -0.34 0.00 0.00 178.44 179.88 1pun h LYS 127 N -0.91 0.65 0.00 1.25 3.64 0.34 1.49 116.57 123.03 1pun h LYS 127 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1pun h LYS 127 Cb 0.93 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1pun h LYS 127 CO 0.00 0.43 0.00 -2.13 -2.27 0.00 0.00 179.45 175.48 1pun n ARG 128 N -4.72 0.02 -0.12 1.90 0.63 0.37 -5.01 116.66 109.73 1pun n ARG 128 Ca 0.23 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 1pun n ARG 128 Cb 0.63 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.04 1pun n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40