#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 3.61 0.07 3.17 2.20 -1.13 -5.07 119.74 122.59 1pun s LYS 2 Ca 0.00 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 1pun s LYS 2 Cb 0.00 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 1pun s LYS 2 CO 0.00 0.24 -0.06 0.15 -0.36 0.00 0.00 175.35 175.33 1pun s LYS 3 N 0.34 0.71 -0.15 4.03 1.02 -1.26 -1.21 119.74 123.21 1pun s LYS 3 Ca -0.05 -1.19 -0.04 0.00 0.02 0.00 0.00 55.97 54.70 1pun s LYS 3 Cb -0.14 -0.10 0.07 0.00 -0.52 0.00 0.00 37.83 37.14 1pun s LYS 3 CO 0.04 -0.03 0.25 -0.48 -0.92 0.00 0.00 175.35 174.20 1pun s LEU 4 N -2.73 -0.25 0.19 3.17 0.05 0.81 -4.89 118.68 115.02 1pun s LEU 4 Ca 0.06 0.33 0.04 0.00 0.05 0.00 0.00 54.13 54.61 1pun s LEU 4 Cb 0.03 0.60 -0.03 0.00 -2.05 0.00 0.00 46.19 44.74 1pun s LEU 4 CO -0.05 -0.27 0.26 -1.10 -0.55 0.00 0.00 176.35 174.64 1pun s GLN 5 N 2.39 3.25 -0.09 1.48 -0.21 -1.26 -0.82 119.66 124.41 1pun s GLN 5 Ca 0.04 -0.76 -0.09 0.00 0.02 0.00 0.00 55.36 54.57 1pun s GLN 5 Cb -0.13 -2.82 0.02 0.00 1.00 0.00 0.00 33.01 31.08 1pun s GLN 5 CO -0.10 0.47 0.25 0.42 -2.12 0.00 0.00 175.29 174.21 1pun s ILE 6 N -1.86 0.00 -0.11 1.08 1.09 0.35 -3.71 121.20 118.05 1pun s ILE 6 Ca 0.33 -0.00 0.01 0.00 -1.10 0.00 0.00 60.65 59.89 1pun s ILE 6 Cb -0.10 -0.35 0.02 0.00 -1.06 0.00 0.00 42.46 40.97 1pun s ILE 6 CO 0.27 -0.00 -0.12 0.00 -0.10 0.00 0.00 174.94 174.98 1pun s ALA 7 N 0.13 1.53 0.11 9.38 0.00 -1.23 -0.15 121.76 131.52 1pun s ALA 7 Ca -0.00 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.38 1pun s ALA 7 Cb -0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1pun s ALA 7 CO 0.00 -0.16 -0.14 0.14 0.00 0.00 0.00 175.76 175.60 1pun s VAL 8 N 1.17 1.29 -0.07 0.00 -7.23 0.18 -3.65 120.40 112.10 1pun s VAL 8 Ca -0.04 -1.61 -0.06 0.00 -1.81 0.00 0.00 61.98 58.47 1pun s VAL 8 Cb -0.14 -1.42 0.02 0.00 0.56 0.00 0.00 36.38 35.40 1pun s VAL 8 CO -0.03 -0.35 0.18 -0.83 -0.31 0.00 0.00 175.10 173.75 1pun s GLY 9 N -2.25 -0.13 -0.26 2.32 0.00 -1.09 0.39 107.32 106.30 1pun s GLY 9 Ca 0.06 0.55 -0.22 0.00 0.00 0.00 0.00 44.72 45.11 1pun s GLY 9 CO 0.03 0.52 0.70 -0.42 0.00 0.00 0.00 173.10 173.93 1pun s ILE 10 N 0.24 4.92 -0.42 0.90 1.01 -1.21 -4.18 121.20 122.45 1pun s ILE 10 Ca -0.01 1.22 -0.23 0.00 0.00 0.00 0.00 60.65 61.62 1pun s ILE 10 Cb -0.02 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.45 1pun s ILE 10 CO -0.01 -0.05 0.80 -0.63 0.00 0.00 0.00 174.94 175.05 1pun s ILE 11 N 2.66 4.66 0.44 2.92 1.09 -1.26 -2.71 121.20 129.00 1pun s ILE 11 Ca 0.29 0.61 -0.18 0.00 -1.10 0.00 0.00 60.65 60.27 1pun s ILE 11 Cb -0.15 -4.29 -0.09 0.00 -1.06 0.00 0.00 42.46 36.86 1pun s ILE 11 CO 0.09 -0.63 0.92 -0.13 -0.10 0.00 0.00 174.94 175.08 1pun s ARG 12 N 3.27 4.06 0.13 2.79 1.81 -1.24 -0.80 118.95 128.97 1pun s ARG 12 Ca 0.31 0.94 0.02 0.00 -1.72 0.00 0.00 55.73 55.28 1pun s ARG 12 Cb -0.12 -2.22 -0.01 0.00 -0.45 0.00 0.00 34.95 32.15 1pun s ARG 12 CO 0.21 -0.09 0.06 0.27 -0.68 0.00 0.00 175.30 175.07 1pun n ASN 13 N -0.99 0.74 -0.07 0.23 6.94 -0.81 -2.82 115.26 118.48 1pun n ASN 13 Ca 0.06 -1.71 -0.10 0.00 -0.02 0.00 0.00 54.58 52.81 1pun n ASN 13 Cb 0.54 0.39 -0.04 0.00 -2.36 0.00 0.00 39.78 38.31 1pun n ASN 13 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1pun h GLU 14 N 0.00 -0.34 0.00 -3.83 4.81 -1.87 0.34 114.58 113.68 1pun h GLU 14 Ca -0.10 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1pun h GLU 14 Cb 0.40 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1pun h GLU 14 CO 0.15 -0.23 0.02 -1.71 -0.73 0.00 0.00 179.01 176.51 1pun n ASN 15 N -5.42 0.03 0.00 1.04 4.05 -1.26 -4.78 115.26 108.92 1pun n ASN 15 Ca -0.01 0.49 0.00 0.00 0.45 0.00 0.00 54.58 55.51 1pun n ASN 15 Cb 0.34 -0.50 0.00 0.00 1.23 0.00 0.00 39.78 40.86 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 -1.52 -2.43 -4.67 1.20 2.85 0.11 -5.03 115.26 105.78 1pun n ASN 16 Ca -0.00 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 1pun n ASN 16 Cb 0.02 -0.40 -0.09 0.00 1.24 0.00 0.00 39.78 40.55 1pun n ASN 16 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1pun s GLU 17 N -0.06 2.65 -0.25 1.20 2.02 -1.26 -4.63 118.70 118.38 1pun s GLU 17 Ca 0.00 -0.72 -0.08 0.00 0.02 0.00 0.00 54.97 54.19 1pun s GLU 17 Cb 0.00 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 1pun s GLU 17 CO 0.00 0.59 0.09 0.96 0.02 0.00 0.00 175.26 176.92 1pun s ILE 18 N -1.16 4.57 -0.65 -1.63 -5.25 0.34 -1.93 121.20 115.48 1pun s ILE 18 Ca 0.22 -0.09 -0.26 0.00 -0.99 0.00 0.00 60.65 59.53 1pun s ILE 18 Cb -0.12 -3.14 -0.09 0.00 2.95 0.00 0.00 42.46 42.07 1pun s ILE 18 CO 0.13 0.34 2.31 0.12 -1.79 0.00 0.00 174.94 176.04 1pun s PHE 19 N 1.49 1.23 0.18 1.37 5.36 0.02 -2.45 117.98 125.17 1pun s PHE 19 Ca 0.06 1.56 0.07 0.00 -0.96 0.00 0.00 56.93 57.67 1pun s PHE 19 Cb -0.15 -3.62 -0.04 0.00 -0.34 0.00 0.00 43.02 38.87 1pun s PHE 19 CO 0.05 -2.07 -0.01 0.96 -1.46 0.00 0.00 175.22 172.69 1pun s ILE 20 N 12.67 3.68 -0.38 3.12 -4.36 -1.09 -4.46 121.20 130.38 1pun s ILE 20 Ca 0.90 -1.45 -0.29 0.00 -0.26 0.00 0.00 60.65 59.55 1pun s ILE 20 Cb -0.14 -2.85 0.01 0.00 1.25 0.00 0.00 42.46 40.73 1pun s ILE 20 CO 0.16 -0.12 1.34 0.42 0.24 0.00 0.00 174.94 176.99 1pun s THR 21 N -1.75 4.02 0.00 8.37 -4.23 -0.54 -1.69 115.64 119.83 1pun s THR 21 Ca 0.27 1.08 0.08 0.00 -1.18 0.00 0.00 61.69 61.95 1pun s THR 21 Cb -0.09 -4.23 -0.02 0.00 1.34 0.00 0.00 72.50 69.50 1pun s THR 21 CO 0.18 -0.68 -0.26 -0.60 -0.54 0.00 0.00 174.62 172.73 1pun s ARG 22 N 4.61 1.98 -0.65 3.99 3.00 -1.11 -2.00 118.95 128.76 1pun s ARG 22 Ca 0.58 -0.98 0.00 0.00 -1.00 0.00 0.00 55.73 54.34 1pun s ARG 22 Cb -0.14 -1.99 0.00 0.00 0.00 0.00 0.00 34.95 32.82 1pun s ARG 22 CO 0.29 0.54 0.00 0.54 0.00 0.00 0.00 175.30 176.67 1pun n ARG 23 N 2.23 -1.83 0.00 5.12 1.74 -1.24 -4.21 116.66 118.47 1pun n ARG 23 Ca -0.16 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1pun n ARG 23 Cb 0.51 -5.18 0.00 0.00 -1.02 0.00 0.00 32.46 26.78 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 1.11 0.00 -2.08 7.54 0.00 -1.26 -4.49 120.51 121.33 1pun n ALA 24 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1pun n ALA 24 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 -0.15 -0.34 0.00 0.00 -1.26 -2.85 120.51 115.91 1pun n ALA 25 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1pun n ALA 25 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.01 0.00 -1.18 0.00 8.00 -1.26 -4.84 116.55 118.28 1pun n ASP 26 Ca -0.06 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.44 1pun n ASP 26 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 -1.99 -1.71 -3.91 2.24 0.00 -1.26 -5.17 120.51 108.72 1pun n ALA 27 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 1pun n ALA 27 Cb 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1pun n ALA 27 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1pun n HIS 28 N -0.02 -0.35 -1.12 0.00 1.44 -1.26 -5.14 115.22 108.76 1pun n HIS 28 Ca -0.01 -1.80 -0.35 0.00 -2.01 0.00 0.00 57.72 53.55 1pun n HIS 28 Cb 0.42 0.14 0.09 0.00 0.12 0.00 0.00 29.99 30.77 1pun n HIS 28 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1pun n MET 29 N -0.47 0.14 0.00 -1.40 2.81 -1.26 -4.86 117.12 112.08 1pun n MET 29 Ca 0.03 0.10 0.13 0.00 -1.81 0.00 0.00 57.70 56.15 1pun n MET 29 Cb 0.40 -1.98 0.39 0.00 -0.71 0.00 0.00 33.22 31.32 1pun n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pun n ALA 30 N -2.88 3.13 0.22 3.04 0.00 -1.26 -3.99 120.51 118.77 1pun n ALA 30 Ca 0.10 -0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 1pun n ALA 30 Cb 0.51 -1.23 0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.34 3.62 -1.44 0.00 5.03 -1.25 -3.71 115.26 116.17 1pun n ASN 31 Ca 0.08 -2.50 -0.06 0.00 0.87 0.00 0.00 54.58 52.97 1pun n ASN 31 Cb 0.33 -0.67 0.22 0.00 -1.02 0.00 0.00 39.78 38.65 1pun n ASN 31 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1pun n LYS 32 N 0.16 2.42 -0.35 3.52 4.81 -1.11 -1.69 118.16 125.93 1pun n LYS 32 Ca 0.17 -3.07 -0.30 0.00 -0.87 0.00 0.00 58.31 54.24 1pun n LYS 32 Cb 0.79 -1.95 -0.08 0.00 0.02 0.00 0.00 35.03 33.80 1pun n LYS 32 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1pun n LEU 33 N -0.86 0.65 -4.70 3.14 0.00 -0.54 -4.67 117.00 110.02 1pun n LEU 33 Ca 0.37 -1.32 -0.25 0.00 0.00 0.00 0.00 56.01 54.81 1pun n LEU 33 Cb 1.18 -0.49 -0.08 0.00 0.00 0.00 0.00 43.42 44.03 1pun n LEU 33 CO 0.30 -1.74 -0.20 -0.70 0.00 0.00 0.00 177.39 175.05 1pun s GLU 34 N 6.27 2.15 0.36 1.96 2.12 -0.85 -4.38 118.70 126.34 1pun s GLU 34 Ca 0.46 -1.89 0.09 0.00 0.36 0.00 0.00 54.97 53.98 1pun s GLU 34 Cb 0.10 -1.90 -0.07 0.00 0.26 0.00 0.00 34.13 32.52 1pun s GLU 34 CO 0.23 -0.07 -0.06 -0.59 -0.54 0.00 0.00 175.26 174.23 1pun s PHE 35 N -2.62 2.43 1.07 5.30 -0.71 -1.26 -1.47 117.98 120.73 1pun s PHE 35 Ca 0.39 -0.56 -0.22 0.00 -1.04 0.00 0.00 56.93 55.51 1pun s PHE 35 Cb 0.05 -1.50 -0.01 0.00 -1.21 0.00 0.00 43.02 40.35 1pun s PHE 35 CO 0.21 0.54 -0.54 -0.35 -1.34 0.00 0.00 175.22 173.74 1pun n PRO 36 N -0.85 -1.00 0.00 1.99 -0.04 -1.26 -4.72 135.00 129.13 1pun n PRO 36 Ca -0.05 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.13 1pun n PRO 36 Cb 0.65 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 2.55 0.82 2.83 0.55 0.00 -1.25 -2.66 105.19 108.03 1pun n GLY 37 Ca -0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.67 0.51 0.00 -0.02 0.00 -1.24 -3.56 107.32 101.35 1pun s GLY 38 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1pun s GLY 38 CO 0.00 0.84 0.00 1.17 0.00 0.00 0.00 173.10 175.11 1pun n LYS 39 N 4.71 0.00 0.08 2.90 4.81 -1.26 -4.99 118.16 124.41 1pun n LYS 39 Ca -0.14 0.03 -0.10 0.00 -0.87 0.00 0.00 58.31 57.23 1pun n LYS 39 Cb 0.50 -0.52 -0.03 0.00 0.02 0.00 0.00 35.03 35.00 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 1.50 0.00 3.15 3.07 -1.83 -3.39 117.51 120.02 1pun h ILE 40 Ca 0.00 -2.70 0.00 0.00 1.55 0.00 0.00 64.86 63.71 1pun h ILE 40 Cb 0.07 2.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1pun h ILE 40 CO 0.00 0.79 0.00 -1.84 -1.05 0.00 0.00 178.15 176.05 1pun n GLU 41 N -3.63 0.00 0.00 0.16 0.28 -1.24 -4.45 120.64 111.75 1pun n GLU 41 Ca -0.04 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1pun n GLU 41 Cb 0.84 -0.61 0.00 0.00 1.43 0.00 0.00 31.44 33.10 1pun n GLU 41 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1pun n MET 42 N -0.20 0.00 -0.55 3.44 1.56 -1.26 -2.24 117.12 117.86 1pun n MET 42 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.42 1pun n MET 42 Cb 0.00 0.00 -0.01 0.00 2.15 0.00 0.00 33.22 35.36 1pun n MET 42 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1pun n GLY 43 N 0.00 -0.27 0.00 -5.12 0.00 -1.26 -5.11 105.19 93.42 1pun n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.75 -3.78 1.61 4.71 -0.95 -5.08 120.64 118.90 1pun n GLU 44 Ca -0.05 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 56.89 1pun n GLU 44 Cb 0.31 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.73 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 1.03 5.08 0.56 2.62 2.01 -1.26 -4.77 115.64 120.92 1pun s THR 45 Ca 0.00 -0.87 0.40 0.00 0.31 0.00 0.00 61.69 61.53 1pun s THR 45 Cb 0.00 -3.81 0.59 0.00 0.01 0.00 0.00 72.50 69.30 1pun s THR 45 CO 0.00 -0.36 1.63 1.55 -0.69 0.00 0.00 174.62 176.75 1pun h PRO 46 N 1.04 0.00 0.00 4.92 0.13 -1.98 0.31 132.00 136.41 1pun h PRO 46 Ca -0.51 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.26 1pun h PRO 46 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1pun h PRO 46 CO 0.60 0.00 -2.21 0.39 -0.23 0.00 0.00 178.00 176.55 1pun n GLU 47 N -3.89 0.47 0.00 0.86 -0.58 -1.26 -4.52 120.64 111.72 1pun n GLU 47 Ca 0.32 0.19 0.09 0.00 -0.42 0.00 0.00 57.16 57.33 1pun n GLU 47 Cb 1.58 -1.29 0.46 0.00 -0.57 0.00 0.00 31.44 31.61 1pun n GLU 47 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1pun n GLN 48 N -3.85 0.33 0.01 3.49 7.27 -0.90 -2.24 117.38 121.50 1pun n GLN 48 Ca -0.42 0.09 -0.19 0.00 0.07 0.00 0.00 57.00 56.55 1pun n GLN 48 Cb 0.82 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.83 1pun n GLN 48 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pun h ALA 49 N 2.89 -0.02 0.05 1.69 0.00 -0.64 -3.34 119.26 119.90 1pun h ALA 49 Ca 0.00 -0.73 -0.23 0.00 0.00 0.00 0.00 54.91 53.94 1pun h ALA 49 Cb 0.12 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pun h ALA 49 CO 0.00 0.37 -1.07 -0.24 0.00 0.00 0.00 179.25 178.31 1pun h VAL 50 N -0.53 1.58 -0.92 0.00 3.04 -1.75 -3.27 116.25 114.40 1pun h VAL 50 Ca -0.14 -3.09 0.20 0.00 -1.01 0.00 0.00 66.70 62.66 1pun h VAL 50 Cb 1.51 2.80 -0.07 0.00 -2.01 0.00 0.00 31.29 33.51 1pun h VAL 50 CO 0.09 0.89 0.60 0.58 -1.01 0.00 0.00 177.57 178.73 1pun h VAL 51 N 0.06 0.69 0.06 1.51 2.07 -1.59 1.94 116.25 120.98 1pun h VAL 51 Ca -0.07 -0.17 -0.23 0.00 0.82 0.00 0.00 66.70 67.05 1pun h VAL 51 Cb 1.79 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1pun h VAL 51 CO 0.16 0.09 -1.06 0.03 0.02 0.00 0.00 177.57 176.81 1pun h ARG 52 N 0.49 0.20 0.13 1.57 3.08 -1.67 -3.27 114.38 114.90 1pun h ARG 52 Ca 0.49 -0.29 -0.28 0.00 0.07 0.00 0.00 59.98 59.97 1pun h ARG 52 Cb 1.10 0.10 0.01 0.00 0.08 0.00 0.00 29.97 31.26 1pun h ARG 52 CO -0.21 1.09 -1.24 0.93 -1.07 0.00 0.00 179.97 179.46 1pun h GLU 53 N 0.08 0.36 -0.68 0.04 4.39 -1.04 -3.02 114.58 114.70 1pun h GLU 53 Ca -0.08 -0.56 0.15 0.00 0.34 0.00 0.00 59.36 59.21 1pun h GLU 53 Cb 1.77 0.20 -0.12 0.00 -0.10 0.00 0.00 28.75 30.50 1pun h GLU 53 CO 0.16 1.25 -0.03 1.25 -1.16 0.00 0.00 179.01 180.48 1pun h LEU 54 N 0.12 -0.38 -0.50 1.33 5.85 0.29 2.20 115.31 124.22 1pun h LEU 54 Ca -0.15 0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1pun h LEU 54 Cb 1.94 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 43.29 1pun h LEU 54 CO 0.21 -0.16 -0.56 1.56 -0.34 0.00 0.00 178.44 179.15 1pun h GLN 55 N 0.08 0.00 0.00 1.25 4.20 -1.65 -1.63 115.11 117.37 1pun h GLN 55 Ca 0.36 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.98 1pun h GLN 55 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1pun h GLN 55 CO -0.62 0.56 -0.40 1.49 -0.67 0.00 0.00 178.83 179.19 1pun h GLU 56 N 0.00 0.00 -0.29 1.46 4.81 0.48 0.84 114.58 121.89 1pun h GLU 56 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1pun h GLU 56 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1pun h GLU 56 CO 0.07 0.40 0.00 0.39 -0.73 0.00 0.00 179.01 179.14 1pun n GLU 57 N -3.34 2.16 0.00 1.92 4.71 0.68 0.19 120.64 126.96 1pun n GLU 57 Ca 0.01 -1.88 0.00 0.00 -0.01 0.00 0.00 57.16 55.28 1pun n GLU 57 Cb 0.61 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.73 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 0.77 0.00 0.00 2.62 0.31 -0.62 -3.95 118.33 117.47 1pun n VAL 58 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1pun n VAL 58 Cb 0.43 -0.42 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 2.08 0.43 2.57 2.92 0.00 0.29 -0.29 105.19 113.20 1pun n GLY 59 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.00 -3.71 -0.61 -5.35 -1.26 -4.90 119.36 103.53 1pun n ILE 60 Ca 0.00 -0.59 -0.36 0.00 -0.27 0.00 0.00 62.75 61.53 1pun n ILE 60 Cb 0.00 -1.55 -0.09 0.00 -1.74 0.00 0.00 39.64 36.26 1pun n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1pun s THR 61 N -2.83 3.78 0.26 7.28 -4.23 -1.26 -4.96 115.64 113.67 1pun s THR 61 Ca 0.51 -3.12 0.09 0.00 -1.18 0.00 0.00 61.69 57.98 1pun s THR 61 Cb -0.02 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1pun s THR 61 CO 0.36 -0.91 0.07 -2.16 -0.54 0.00 0.00 174.62 171.45 1pun s PRO 62 N -0.28 2.52 -1.21 3.99 0.04 -1.26 -2.93 135.00 135.87 1pun s PRO 62 Ca 0.19 -1.29 -0.17 0.00 0.04 0.00 0.00 61.00 59.76 1pun s PRO 62 Cb -0.18 -2.30 0.12 0.00 0.04 0.00 0.00 34.50 32.17 1pun s PRO 62 CO -0.05 0.37 1.53 1.14 0.04 0.00 0.00 177.00 180.03 1pun s GLN 63 N -3.74 3.97 -0.07 4.56 -2.07 0.34 -4.88 119.66 117.77 1pun s GLN 63 Ca 0.32 -2.17 0.03 0.00 -1.82 0.00 0.00 55.36 51.72 1pun s GLN 63 Cb -0.07 -5.26 0.01 0.00 -1.09 0.00 0.00 33.01 26.60 1pun s GLN 63 CO 0.22 -2.00 -0.14 -1.58 -1.32 0.00 0.00 175.29 170.47 1pun s HIS 64 N 2.97 1.64 -1.46 9.60 2.46 -1.23 0.12 115.29 129.38 1pun s HIS 64 Ca 0.47 -0.61 0.00 0.00 0.47 0.00 0.00 55.06 55.38 1pun s HIS 64 Cb -0.00 -1.17 0.00 0.00 -0.13 0.00 0.00 32.58 31.28 1pun s HIS 64 CO 0.02 -0.29 0.00 0.34 -2.47 0.00 0.00 174.74 172.33 1pun n PHE 65 N 3.74 0.00 -0.38 3.88 7.35 -1.26 -4.93 117.46 125.85 1pun n PHE 65 Ca -0.22 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.51 1pun n PHE 65 Cb 0.52 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.33 1pun n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1pun n SER 66 N 0.82 -2.08 -4.11 -2.13 2.88 -1.26 -3.03 113.62 104.71 1pun n SER 66 Ca 0.00 0.41 -0.33 0.00 -1.33 0.00 0.00 58.87 57.62 1pun n SER 66 Cb 0.00 -1.18 -0.15 0.00 -0.75 0.00 0.00 64.21 62.13 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 -4.64 2.98 0.09 2.46 0.20 -1.26 0.14 118.68 118.65 1pun s LEU 67 Ca 0.00 -1.06 -0.12 0.00 0.69 0.00 0.00 54.13 53.63 1pun s LEU 67 Cb 0.00 -1.55 -0.21 0.00 -0.43 0.00 0.00 46.19 44.00 1pun s LEU 67 CO 0.00 -0.12 1.22 0.15 -0.29 0.00 0.00 176.35 177.31 1pun h PHE 68 N 7.87 0.99 -1.85 5.38 3.04 -1.32 -3.43 116.94 127.63 1pun h PHE 68 Ca -0.30 -0.53 0.21 0.00 3.98 0.00 0.00 57.97 61.32 1pun h PHE 68 Cb 1.08 -0.12 -0.15 0.00 2.56 0.00 0.00 35.95 39.33 1pun h PHE 68 CO 0.57 1.37 0.67 -2.00 -2.02 0.00 0.00 178.31 176.89 1pun s GLU 69 N -3.34 0.60 -0.06 1.11 2.12 -1.17 -5.01 118.70 112.95 1pun s GLU 69 Ca -0.09 -0.26 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 1pun s GLU 69 Cb 0.07 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.75 1pun s GLU 69 CO 0.91 -0.27 0.14 -1.59 -0.54 0.00 0.00 175.26 173.92 1pun s LYS 70 N -2.76 0.11 -0.35 4.30 0.00 -1.26 0.16 119.74 119.94 1pun s LYS 70 Ca 0.09 0.31 -0.16 0.00 0.00 0.00 0.00 55.97 56.21 1pun s LYS 70 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 37.83 37.72 1pun s LYS 70 CO -0.05 -0.12 0.39 -1.17 0.00 0.00 0.00 175.35 174.40 1pun s LEU 71 N 0.82 4.46 -0.31 2.77 2.96 0.63 -4.92 118.68 125.09 1pun s LEU 71 Ca -0.06 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1pun s LEU 71 Cb -0.08 -2.38 0.06 0.00 0.50 0.00 0.00 46.19 44.29 1pun s LEU 71 CO -0.04 -0.38 0.02 -0.70 -1.32 0.00 0.00 176.35 173.93 1pun s GLU 72 N 2.08 2.34 -0.04 1.98 2.12 -1.26 -0.46 118.70 125.47 1pun s GLU 72 Ca 0.13 -1.35 -0.03 0.00 0.36 0.00 0.00 54.97 54.08 1pun s GLU 72 Cb -0.16 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.03 1pun s GLU 72 CO 0.12 -0.68 0.09 -0.47 -0.54 0.00 0.00 175.26 173.79 1pun s TYR 73 N 1.22 -0.10 -0.22 5.30 5.04 -1.06 -5.08 117.35 122.45 1pun s TYR 73 Ca -0.03 0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.88 1pun s TYR 73 Cb -0.20 -0.02 0.04 0.00 0.35 0.00 0.00 41.96 42.13 1pun s TYR 73 CO -0.02 -0.07 -0.13 -1.83 -1.34 0.00 0.00 175.55 172.15 1pun s GLU 74 N 0.38 2.40 0.52 4.97 -1.05 -1.26 -0.82 118.70 123.83 1pun s GLU 74 Ca -0.03 -1.06 -0.04 0.00 -0.15 0.00 0.00 54.97 53.69 1pun s GLU 74 Cb -0.04 -2.67 -0.01 0.00 -0.44 0.00 0.00 34.13 30.97 1pun s GLU 74 CO -0.01 -0.43 0.80 -0.06 0.95 0.00 0.00 175.26 176.51 1pun s PHE 75 N 1.23 3.33 0.00 4.83 0.08 -0.76 -4.84 117.98 121.86 1pun s PHE 75 Ca -0.03 0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.58 1pun s PHE 75 Cb -0.17 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.79 1pun s PHE 75 CO -0.08 -0.53 0.62 -2.30 -0.10 0.00 0.00 175.22 172.83 1pun n PRO 76 N -2.34 0.00 0.00 0.24 -0.01 -1.26 -1.29 135.00 130.34 1pun n PRO 76 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.51 1pun n PRO 76 Cb 0.57 -0.64 0.00 0.00 -0.01 0.00 0.00 33.50 33.42 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 2.84 0.00 -4.49 2.55 -0.08 -1.26 -4.93 116.55 111.18 1pun n ASP 77 Ca 0.00 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.85 1pun n ASP 77 Cb 0.31 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.73 1pun n ASP 77 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1pun s ARG 78 N 0.00 3.22 0.16 -0.67 6.06 -0.42 -2.81 118.95 124.49 1pun s ARG 78 Ca 0.00 -0.55 0.01 0.00 -2.50 0.00 0.00 55.73 52.69 1pun s ARG 78 Cb 0.00 -4.13 -0.04 0.00 0.06 0.00 0.00 34.95 30.84 1pun s ARG 78 CO 0.00 -1.61 0.31 -1.01 -2.50 0.00 0.00 175.30 170.49 1pun s HIS 79 N 3.92 3.49 0.01 5.12 3.76 -0.35 -1.82 115.29 129.41 1pun s HIS 79 Ca 0.26 0.21 0.06 0.00 -0.15 0.00 0.00 55.06 55.44 1pun s HIS 79 Cb -0.15 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.78 1pun s HIS 79 CO 0.15 0.48 -0.20 -1.50 -0.85 0.00 0.00 174.74 172.82 1pun s ILE 80 N -1.76 1.56 -0.10 0.60 2.07 -0.00 -0.13 121.20 123.44 1pun s ILE 80 Ca 0.36 -0.95 -0.01 0.00 -1.41 0.00 0.00 60.65 58.63 1pun s ILE 80 Cb -0.11 -1.32 0.03 0.00 0.13 0.00 0.00 42.46 41.19 1pun s ILE 80 CO 0.29 0.35 -0.00 0.42 -1.91 0.00 0.00 174.94 174.08 1pun s THR 81 N -0.58 0.47 -0.24 4.00 -4.23 0.00 -2.58 115.64 112.49 1pun s THR 81 Ca 0.07 -0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.55 1pun s THR 81 Cb -0.08 -0.67 0.03 0.00 1.34 0.00 0.00 72.50 73.12 1pun s THR 81 CO 0.00 0.20 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.43 1pun s LEU 82 N 1.92 3.14 -0.24 4.79 1.43 0.39 0.13 118.68 130.25 1pun s LEU 82 Ca 0.04 -0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 52.08 1pun s LEU 82 Cb -0.13 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1pun s LEU 82 CO -0.06 -0.13 0.11 0.26 0.23 0.00 0.00 176.35 176.76 1pun s TRP 83 N 1.27 3.18 -0.24 0.29 0.52 0.79 0.23 118.94 124.98 1pun s TRP 83 Ca -0.01 -0.10 -0.12 0.00 0.02 0.00 0.00 56.10 55.88 1pun s TRP 83 Cb -0.17 -2.24 -0.05 0.00 -1.15 0.00 0.00 33.47 29.86 1pun s TRP 83 CO -0.06 -0.14 0.23 -0.06 0.02 0.00 0.00 176.95 176.94 1pun s PHE 84 N 1.30 3.30 -0.30 -1.98 0.40 0.41 0.52 117.98 121.63 1pun s PHE 84 Ca 0.06 0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 56.57 1pun s PHE 84 Cb -0.15 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.98 1pun s PHE 84 CO 0.05 -0.03 0.19 -1.58 0.70 0.00 0.00 175.22 174.55 1pun s TRP 85 N 1.37 3.20 -0.77 0.36 0.52 0.16 -0.94 118.94 122.84 1pun s TRP 85 Ca 0.10 -0.13 -0.26 0.00 0.02 0.00 0.00 56.10 55.83 1pun s TRP 85 Cb -0.14 -2.39 0.02 0.00 -1.15 0.00 0.00 33.47 29.80 1pun s TRP 85 CO 0.07 -0.28 1.45 -1.17 0.02 0.00 0.00 176.95 177.04 1pun s LEU 86 N 1.71 3.24 0.40 2.99 1.98 0.38 -3.32 118.68 126.07 1pun s LEU 86 Ca 0.06 -0.48 -0.24 0.00 -2.89 0.00 0.00 54.13 50.58 1pun s LEU 86 Cb -0.16 -2.56 -0.09 0.00 0.66 0.00 0.00 46.19 44.04 1pun s LEU 86 CO 0.09 -1.93 1.07 -0.69 -1.89 0.00 0.00 176.35 173.00 1pun s VAL 87 N 6.47 3.63 -0.13 1.68 1.01 -1.10 -4.01 120.40 127.95 1pun s VAL 87 Ca 0.45 1.26 0.02 0.00 0.00 0.00 0.00 61.98 63.70 1pun s VAL 87 Cb -0.07 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 1pun s VAL 87 CO 0.11 0.02 -0.11 -0.62 0.00 0.00 0.00 175.10 174.50 1pun n GLU 88 N -0.07 0.46 -3.67 2.72 1.02 -0.75 -3.69 120.64 116.66 1pun n GLU 88 Ca 0.05 0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 57.19 1pun n GLU 88 Cb 0.49 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.63 1pun n GLU 88 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1pun s ARG 89 N -2.27 1.35 -0.09 3.49 1.04 0.32 -3.80 118.95 118.99 1pun s ARG 89 Ca -0.17 -0.66 -0.05 0.00 -1.04 0.00 0.00 55.73 53.81 1pun s ARG 89 Cb 0.05 0.51 0.04 0.00 -2.04 0.00 0.00 34.95 33.51 1pun s ARG 89 CO 0.32 -0.61 0.21 1.67 -0.04 0.00 0.00 175.30 176.85 1pun s TRP 90 N -3.57 -0.26 -0.34 5.89 -2.14 -1.22 0.13 118.94 117.43 1pun s TRP 90 Ca 0.08 0.65 -0.29 0.00 2.66 0.00 0.00 56.10 59.21 1pun s TRP 90 Cb -0.03 0.00 0.02 0.00 -3.10 0.00 0.00 33.47 30.37 1pun s TRP 90 CO -0.02 -0.20 1.06 -1.21 -2.66 0.00 0.00 176.95 173.93 1pun s GLU 91 N 1.11 4.02 4.17 3.25 2.02 -1.15 -4.74 118.70 127.38 1pun s GLU 91 Ca -0.08 0.98 0.00 0.00 0.02 0.00 0.00 54.97 55.89 1pun s GLU 91 Cb -0.10 -3.76 0.00 0.00 0.10 0.00 0.00 34.13 30.38 1pun s GLU 91 CO -0.07 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 174.68 1pun n GLY 92 N 4.00 1.58 2.96 -1.39 0.00 -1.26 -4.37 105.19 106.71 1pun n GLY 92 Ca 0.11 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 1pun n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pun s GLU 93 N 0.00 0.55 0.08 1.61 2.02 -1.26 -5.13 118.70 116.57 1pun s GLU 93 Ca 0.00 -0.19 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 1pun s GLU 93 Cb 0.00 -0.55 -0.06 0.00 0.10 0.00 0.00 34.13 33.63 1pun s GLU 93 CO 0.00 0.09 1.11 -2.14 0.02 0.00 0.00 175.26 174.33 1pun s PRO 94 N 0.08 4.52 0.23 0.39 0.02 -1.26 -4.62 135.00 134.36 1pun s PRO 94 Ca -0.01 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.67 1pun s PRO 94 Cb -0.05 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1pun s PRO 94 CO -0.00 -0.08 0.00 -2.67 -0.33 0.00 0.00 177.00 173.91 1pun n TRP 95 N 3.39 -1.97 0.00 6.54 4.27 0.38 -5.00 117.44 125.05 1pun n TRP 95 Ca 0.06 0.35 0.00 0.00 -3.89 0.00 0.00 57.50 54.02 1pun n TRP 95 Cb 0.47 0.55 0.00 0.00 -1.36 0.00 0.00 31.31 30.97 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 1.62 1.18 0.40 -1.67 0.00 0.61 -3.46 105.19 103.86 1pun n GLY 96 Ca 0.00 0.62 -0.00 0.00 0.00 0.00 0.00 46.02 46.64 1pun n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pun n LYS 97 N 0.00 0.00 0.27 1.61 4.76 0.50 -4.74 118.16 120.57 1pun n LYS 97 Ca 0.00 -0.06 0.13 0.00 -2.87 0.00 0.00 58.31 55.51 1pun n LYS 97 Cb 0.00 0.04 0.81 0.00 -1.84 0.00 0.00 35.03 34.05 1pun n LYS 97 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1pun h GLU 98 N 0.00 0.00 -5.12 1.97 4.11 -1.74 -3.46 114.58 110.34 1pun h GLU 98 Ca -0.04 0.00 -0.41 0.00 0.07 0.00 0.00 59.36 58.99 1pun h GLU 98 Cb 0.76 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.10 1pun h GLU 98 CO -0.02 0.00 -0.64 0.41 0.07 0.00 0.00 179.01 178.83 1pun n GLY 99 N -1.41 -0.54 2.56 1.06 0.00 -1.26 -4.99 105.19 100.61 1pun n GLY 99 Ca -0.02 0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -6.00 0.24 0.07 1.61 -0.21 -1.26 -5.06 119.66 109.05 1pun s GLN 100 Ca 0.44 -0.56 -0.37 0.00 0.02 0.00 0.00 55.36 54.89 1pun s GLN 100 Cb -0.19 -1.11 -0.18 0.00 1.00 0.00 0.00 33.01 32.52 1pun s GLN 100 CO 0.54 -1.04 1.11 -2.30 -2.12 0.00 0.00 175.29 171.49 1pun n PRO 101 N 5.15 0.50 -4.40 2.91 -0.02 -1.13 -4.45 135.00 133.56 1pun n PRO 101 Ca -0.04 0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 61.40 1pun n PRO 101 Cb 0.42 -1.68 -0.08 0.00 -0.02 0.00 0.00 33.50 32.14 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 0.05 2.38 -0.08 -1.23 0.00 -1.26 -2.76 107.32 104.42 1pun s GLY 102 Ca 0.84 -1.62 -0.19 0.00 0.00 0.00 0.00 44.72 43.74 1pun s GLY 102 CO 0.53 -1.66 0.46 1.85 0.00 0.00 0.00 173.10 174.28 1pun s GLU 103 N -3.66 0.73 -0.33 2.90 2.12 -0.68 -4.90 118.70 114.87 1pun s GLU 103 Ca 0.32 0.20 -0.28 0.00 0.36 0.00 0.00 54.97 55.57 1pun s GLU 103 Cb 0.03 0.34 -0.06 0.00 0.26 0.00 0.00 34.13 34.70 1pun s GLU 103 CO 0.19 -0.18 2.30 0.91 -0.54 0.00 0.00 175.26 177.94 1pun n TRP 104 N 1.69 1.73 -4.39 5.30 8.01 -1.26 -2.65 117.44 125.86 1pun n TRP 104 Ca -0.18 -0.01 -0.29 0.00 -1.31 0.00 0.00 57.50 55.71 1pun n TRP 104 Cb 0.56 -2.68 -0.13 0.00 -2.01 0.00 0.00 31.31 27.06 1pun n TRP 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1pun s MET 105 N 7.07 1.40 -0.21 -0.99 0.23 -1.03 -4.84 119.30 120.93 1pun s MET 105 Ca 1.01 -1.34 -0.29 0.00 -1.03 0.00 0.00 55.69 54.04 1pun s MET 105 Cb -0.33 -1.89 -0.02 0.00 -1.53 0.00 0.00 34.83 31.06 1pun s MET 105 CO 0.33 0.45 1.41 -1.54 -2.03 0.00 0.00 175.02 173.64 1pun s SER 106 N -2.05 6.67 0.50 -1.18 1.04 -1.26 0.13 113.70 117.55 1pun s SER 106 Ca 0.14 1.57 0.33 0.00 0.48 0.00 0.00 55.95 58.47 1pun s SER 106 Cb -0.10 -2.54 1.54 0.00 0.10 0.00 0.00 66.02 65.02 1pun s SER 106 CO 0.06 -1.02 2.00 0.25 0.98 0.00 0.00 173.24 175.51 1pun h LEU 107 N 10.69 0.00 -0.70 2.42 7.12 -1.89 -2.94 115.31 130.01 1pun h LEU 107 Ca -0.30 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.71 1pun h LEU 107 Cb 1.12 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1pun h LEU 107 CO 1.00 0.00 0.12 0.55 -0.13 0.00 0.00 178.44 179.98 1pun n VAL 108 N -2.85 1.16 -2.73 1.05 3.14 -1.26 -2.10 118.33 114.74 1pun n VAL 108 Ca -0.00 0.64 -0.16 0.00 -2.96 0.00 0.00 64.34 61.86 1pun n VAL 108 Cb 0.21 -1.64 0.01 0.00 -1.06 0.00 0.00 33.84 31.35 1pun n VAL 108 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pun n GLY 109 N -1.33 3.26 3.73 7.55 0.00 -1.11 -5.09 105.19 112.19 1pun n GLY 109 Ca -0.01 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.13 4.36 -0.28 0.99 1.98 -0.89 -4.99 118.68 116.72 1pun s LEU 110 Ca 0.36 2.81 -0.01 0.00 -2.89 0.00 0.00 54.13 54.40 1pun s LEU 110 Cb 0.41 -3.61 0.05 0.00 0.66 0.00 0.00 46.19 43.70 1pun s LEU 110 CO -0.05 -0.90 -0.04 0.20 -1.89 0.00 0.00 176.35 173.68 1pun s ASN 111 N 0.91 4.65 0.30 3.68 0.02 -1.26 -4.82 114.94 118.43 1pun s ASN 111 Ca 0.69 -1.19 0.26 0.00 -1.02 0.00 0.00 52.86 51.59 1pun s ASN 111 Cb -0.47 -1.67 0.98 0.00 0.02 0.00 0.00 41.25 40.11 1pun s ASN 111 CO 0.37 -0.21 1.76 0.00 0.02 0.00 0.00 177.10 179.04 1pun h ALA 112 N 7.96 1.00 0.07 0.60 0.00 -1.91 -2.84 119.26 124.14 1pun h ALA 112 Ca -0.24 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1pun h ALA 112 Cb 1.07 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1pun h ALA 112 CO 0.53 0.00 -0.57 0.38 0.00 0.00 0.00 179.25 179.59 1pun h ASP 113 N 0.00 0.37 1.15 0.00 2.03 -1.96 -3.29 116.42 114.72 1pun h ASP 113 Ca 0.00 -0.90 0.00 0.00 -0.73 0.00 0.00 57.03 55.40 1pun h ASP 113 Cb 0.49 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 1pun h ASP 113 CO 0.00 1.24 0.00 0.44 -1.03 0.00 0.00 179.24 179.89 1pun h ASP 114 N -0.44 0.00 -2.02 4.15 5.19 -1.88 -3.45 116.42 117.97 1pun h ASP 114 Ca -0.09 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 55.86 1pun h ASP 114 Cb 1.39 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.90 1pun h ASP 114 CO 0.11 0.00 -0.40 0.72 -3.12 0.00 0.00 179.24 176.54 1pun s PHE 115 N -3.41 3.26 0.12 4.55 -0.71 -1.08 -1.47 117.98 119.24 1pun s PHE 115 Ca 0.04 -0.12 -0.33 0.00 -1.04 0.00 0.00 56.93 55.48 1pun s PHE 115 Cb 0.09 -1.73 -0.13 0.00 -1.21 0.00 0.00 43.02 40.04 1pun s PHE 115 CO 0.52 0.26 1.67 -0.35 -1.34 0.00 0.00 175.22 175.98 1pun n PRO 116 N -1.48 2.28 0.20 1.99 -0.04 -0.68 -4.73 135.00 132.55 1pun n PRO 116 Ca -0.05 0.83 0.14 0.00 -0.04 0.00 0.00 63.50 64.38 1pun n PRO 116 Cb 0.58 -2.63 0.68 0.00 -0.04 0.00 0.00 33.50 32.09 1pun n PRO 116 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1pun h PRO 117 N 6.80 0.00 0.00 0.54 0.13 -1.83 -2.44 132.00 135.19 1pun h PRO 117 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1pun h PRO 117 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pun h PRO 117 CO 0.91 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.68 1pun h ALA 118 N 2.09 1.00 -0.12 -0.56 0.00 -1.97 -1.33 119.26 118.37 1pun h ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pun h ALA 118 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pun h ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1pun n ASN 119 N -2.75 2.46 -0.00 0.00 5.03 -0.92 -4.71 115.26 114.37 1pun n ASN 119 Ca -0.01 -2.21 0.03 0.00 0.87 0.00 0.00 54.58 53.26 1pun n ASN 119 Cb 0.12 -0.16 0.38 0.00 -1.02 0.00 0.00 39.78 39.10 1pun n ASN 119 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1pun h GLU 120 N 0.75 0.54 -0.81 3.52 4.81 -1.32 -3.18 114.58 118.89 1pun h GLU 120 Ca 0.00 -0.06 0.19 0.00 -0.13 0.00 0.00 59.36 59.36 1pun h GLU 120 Cb 0.70 -0.11 -0.15 0.00 0.63 0.00 0.00 28.75 29.83 1pun h GLU 120 CO 0.02 0.43 -0.03 -1.35 -0.73 0.00 0.00 179.01 177.35 1pun h PRO 121 N 0.54 0.07 0.02 0.92 0.11 -1.84 2.11 132.00 133.92 1pun h PRO 121 Ca 0.14 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1pun h PRO 121 Cb 0.07 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1pun h PRO 121 CO -0.02 0.05 -0.01 0.28 -0.21 0.00 0.00 178.00 178.09 1pun h VAL 122 N 0.07 1.00 0.00 3.15 2.07 -1.95 -3.32 116.25 117.27 1pun h VAL 122 Ca 0.44 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1pun h VAL 122 Cb 0.80 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1pun h VAL 122 CO -0.75 0.33 -0.04 0.40 0.02 0.00 0.00 177.57 177.53 1pun h ILE 123 N -0.98 0.66 -0.55 4.57 1.08 -1.50 -2.10 117.51 118.69 1pun h ILE 123 Ca -0.00 -0.16 0.08 0.00 -0.39 0.00 0.00 64.86 64.39 1pun h ILE 123 Cb 0.56 1.10 -0.07 0.00 -3.07 0.00 0.00 36.82 35.34 1pun h ILE 123 CO 0.00 0.04 0.18 0.00 -0.69 0.00 0.00 178.15 177.69 1pun h ALA 124 N 1.96 0.68 -0.04 1.87 0.00 0.33 2.09 119.26 126.15 1pun h ALA 124 Ca -0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1pun h ALA 124 Cb 0.09 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1pun h ALA 124 CO 0.01 -0.22 -0.22 0.87 0.00 0.00 0.00 179.25 179.68 1pun h LYS 125 N 0.35 -0.31 0.11 0.00 1.79 -1.50 -0.58 116.57 116.43 1pun h LYS 125 Ca 0.27 0.02 -0.20 0.00 -2.18 0.00 0.00 60.65 58.56 1pun h LYS 125 Cb 0.33 0.07 0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1pun h LYS 125 CO -0.29 -0.21 -0.85 1.25 -1.08 0.00 0.00 179.45 178.27 1pun h LEU 126 N -0.32 0.55 -0.90 2.94 5.85 -1.54 -3.33 115.31 118.57 1pun h LEU 126 Ca 0.07 -0.89 0.19 0.00 0.84 0.00 0.00 57.88 58.09 1pun h LEU 126 Cb 0.43 -0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.17 1pun h LEU 126 CO -0.23 1.39 0.45 0.50 -0.34 0.00 0.00 178.44 180.21 1pun h LYS 127 N -0.20 0.53 0.00 1.25 3.64 0.35 1.68 116.57 123.82 1pun h LYS 127 Ca -0.14 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1pun h LYS 127 Cb 1.62 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1pun h LYS 127 CO 0.16 0.35 0.00 -2.13 -2.27 0.00 0.00 179.45 175.56 1pun n ARG 128 N -4.93 0.01 -0.07 1.90 0.63 -0.23 -4.96 116.66 109.00 1pun n ARG 128 Ca 0.20 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 1pun n ARG 128 Cb 0.56 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.95 1pun n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40