#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 3.21 0.00 2.12 1.02 -1.20 -5.04 119.74 119.85 1pun s LYS 2 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1pun s LYS 2 Cb 0.00 -2.74 -0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1pun s LYS 2 CO 0.00 0.45 -0.00 -1.59 -0.92 0.00 0.00 175.35 173.28 1pun s LYS 3 N -0.22 0.03 -0.14 1.68 0.00 -1.26 0.27 119.74 120.11 1pun s LYS 3 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 55.97 55.93 1pun s LYS 3 Cb -0.13 -0.02 0.07 0.00 0.00 0.00 0.00 37.83 37.75 1pun s LYS 3 CO 0.03 0.01 0.29 -0.48 0.00 0.00 0.00 175.35 175.19 1pun s LEU 4 N -0.03 -0.34 0.13 2.77 0.05 0.22 -4.94 118.68 116.53 1pun s LEU 4 Ca -0.00 0.66 0.03 0.00 0.05 0.00 0.00 54.13 54.86 1pun s LEU 4 Cb -0.00 0.81 -0.04 0.00 -2.05 0.00 0.00 46.19 44.91 1pun s LEU 4 CO -0.00 -0.24 0.20 -1.10 -0.55 0.00 0.00 176.35 174.67 1pun s GLN 5 N 2.42 3.22 -0.07 1.48 -0.21 -1.26 -2.20 119.66 123.04 1pun s GLN 5 Ca 0.00 -0.66 -0.07 0.00 0.02 0.00 0.00 55.36 54.66 1pun s GLN 5 Cb -0.12 -2.86 0.02 0.00 1.00 0.00 0.00 33.01 31.05 1pun s GLN 5 CO -0.09 0.53 0.20 0.42 -2.12 0.00 0.00 175.29 174.23 1pun s ILE 6 N -1.66 0.01 -0.10 1.08 1.09 0.26 -4.10 121.20 117.78 1pun s ILE 6 Ca 0.33 -0.05 0.01 0.00 -1.10 0.00 0.00 60.65 59.84 1pun s ILE 6 Cb -0.11 -0.30 0.02 0.00 -1.06 0.00 0.00 42.46 41.00 1pun s ILE 6 CO 0.26 -0.03 -0.12 0.00 -0.10 0.00 0.00 174.94 174.95 1pun s ALA 7 N -0.01 1.51 0.09 9.38 0.00 -1.23 -0.12 121.76 131.37 1pun s ALA 7 Ca -0.01 -0.62 0.07 0.00 0.00 0.00 0.00 51.96 51.40 1pun s ALA 7 Cb -0.02 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1pun s ALA 7 CO 0.00 -0.14 -0.18 0.54 0.00 0.00 0.00 175.76 175.98 1pun s VAL 8 N 1.14 1.48 -0.03 0.00 0.11 0.34 -3.61 120.40 119.83 1pun s VAL 8 Ca -0.05 -1.46 -0.04 0.00 -2.93 0.00 0.00 61.98 57.51 1pun s VAL 8 Cb -0.14 -1.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.34 1pun s VAL 8 CO -0.03 -0.13 0.11 -0.83 -3.33 0.00 0.00 175.10 170.89 1pun s GLY 9 N -1.85 -0.06 -0.28 6.54 0.00 -0.60 0.08 107.32 111.16 1pun s GLY 9 Ca 0.03 0.23 -0.13 0.00 0.00 0.00 0.00 44.72 44.84 1pun s GLY 9 CO 0.03 0.17 0.30 -0.26 0.00 0.00 0.00 173.10 173.35 1pun s ILE 10 N -0.15 5.23 -0.43 0.90 -0.00 -1.21 -3.48 121.20 122.07 1pun s ILE 10 Ca -0.02 0.39 -0.26 0.00 -0.00 0.00 0.00 60.65 60.75 1pun s ILE 10 Cb -0.02 -3.64 0.02 0.00 -0.00 0.00 0.00 42.46 38.83 1pun s ILE 10 CO 0.00 0.18 0.97 -0.63 -0.00 0.00 0.00 174.94 175.46 1pun s ILE 11 N 1.94 4.46 0.50 8.37 1.01 -1.26 -2.84 121.20 133.38 1pun s ILE 11 Ca 0.12 1.03 -0.15 0.00 0.00 0.00 0.00 60.65 61.64 1pun s ILE 11 Cb -0.16 -4.43 -0.08 0.00 0.01 0.00 0.00 42.46 37.81 1pun s ILE 11 CO 0.10 -0.75 0.95 -0.13 0.00 0.00 0.00 174.94 175.11 1pun s ARG 12 N 3.78 3.91 0.22 2.79 1.81 -1.24 -2.15 118.95 128.07 1pun s ARG 12 Ca 0.40 0.87 0.03 0.00 -1.72 0.00 0.00 55.73 55.30 1pun s ARG 12 Cb -0.10 -2.18 -0.01 0.00 -0.45 0.00 0.00 34.95 32.21 1pun s ARG 12 CO 0.24 -0.23 0.10 0.27 -0.68 0.00 0.00 175.30 175.00 1pun n ASN 13 N -1.55 0.78 -0.15 0.23 6.94 -1.04 -2.86 115.26 117.61 1pun n ASN 13 Ca 0.06 -2.21 -0.04 0.00 -0.02 0.00 0.00 54.58 52.37 1pun n ASN 13 Cb 0.54 0.65 0.02 0.00 -2.36 0.00 0.00 39.78 38.64 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 -0.08 0.00 -3.83 4.22 -1.87 0.76 114.58 113.78 1pun h GLU 14 Ca -0.17 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.28 1pun h GLU 14 Cb 0.68 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1pun h GLU 14 CO 0.26 -0.05 0.00 -1.71 -2.18 0.00 0.00 179.01 175.33 1pun n ASN 15 N -5.39 0.09 0.00 1.04 5.15 -1.26 -4.81 115.26 110.08 1pun n ASN 15 Ca 0.04 0.54 0.00 0.00 -0.60 0.00 0.00 54.58 54.55 1pun n ASN 15 Cb 0.30 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 39.00 1pun n ASN 15 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1pun n ASN 16 N -1.61 -2.50 -4.66 1.20 5.15 0.26 -5.03 115.26 108.07 1pun n ASN 16 Ca 0.01 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.67 1pun n ASN 16 Cb 0.05 -0.42 -0.09 0.00 -0.53 0.00 0.00 39.78 38.79 1pun n ASN 16 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1pun s GLU 17 N -0.04 2.68 -0.29 1.20 2.02 -1.26 -4.64 118.70 118.38 1pun s GLU 17 Ca 0.00 -0.67 -0.09 0.00 0.02 0.00 0.00 54.97 54.23 1pun s GLU 17 Cb 0.00 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 1pun s GLU 17 CO 0.00 0.61 0.13 -1.50 0.02 0.00 0.00 175.26 174.52 1pun s ILE 18 N -1.09 4.57 -0.31 -1.63 -1.16 0.19 -2.49 121.20 119.27 1pun s ILE 18 Ca 0.20 -0.32 -0.28 0.00 -0.51 0.00 0.00 60.65 59.74 1pun s ILE 18 Cb -0.11 -3.27 -0.04 0.00 0.61 0.00 0.00 42.46 39.64 1pun s ILE 18 CO 0.10 0.15 2.13 0.72 -2.81 0.00 0.00 174.94 175.24 1pun s PHE 19 N 1.62 1.33 0.19 3.50 -0.12 -0.91 -2.88 117.98 120.71 1pun s PHE 19 Ca 0.05 0.75 0.11 0.00 -0.05 0.00 0.00 56.93 57.80 1pun s PHE 19 Cb -0.16 -3.92 -0.04 0.00 -0.63 0.00 0.00 43.02 38.26 1pun s PHE 19 CO 0.06 -3.45 -0.22 0.96 -0.05 0.00 0.00 175.22 172.52 1pun s ILE 20 N 8.71 2.45 -0.32 -4.49 -4.36 -1.22 -4.41 121.20 117.56 1pun s ILE 20 Ca 0.93 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 59.04 1pun s ILE 20 Cb -0.27 -2.18 -0.01 0.00 1.25 0.00 0.00 42.46 41.25 1pun s ILE 20 CO 0.32 -0.12 1.63 0.28 0.24 0.00 0.00 174.94 177.29 1pun s THR 21 N -1.69 3.67 -0.91 8.37 -1.32 -1.10 -3.58 115.64 119.08 1pun s THR 21 Ca 0.21 0.71 -0.07 0.00 -1.21 0.00 0.00 61.69 61.33 1pun s THR 21 Cb -0.08 -3.83 0.23 0.00 -1.51 0.00 0.00 72.50 67.31 1pun s THR 21 CO 0.11 -0.48 0.83 -0.60 -2.21 0.00 0.00 174.62 172.27 1pun s ARG 22 N 5.15 3.53 -1.56 7.08 3.52 -1.26 -3.73 118.95 131.69 1pun s ARG 22 Ca 0.72 -2.97 0.00 0.00 -0.13 0.00 0.00 55.73 53.34 1pun s ARG 22 Cb -0.21 -4.21 0.00 0.00 -1.56 0.00 0.00 34.95 28.97 1pun s ARG 22 CO 0.32 -1.25 0.00 0.54 -0.81 0.00 0.00 175.30 174.10 1pun n ARG 23 N 2.97 -1.48 0.00 5.12 1.74 -1.26 -4.33 116.66 119.43 1pun n ARG 23 Ca 0.18 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 58.14 1pun n ARG 23 Cb 0.40 -5.23 0.00 0.00 -1.02 0.00 0.00 32.46 26.61 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 0.15 0.00 0.07 7.54 0.00 -1.26 -2.74 120.51 124.27 1pun n ALA 24 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1pun n ALA 24 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 2.32 3.00 0.00 0.00 0.00 -1.26 -4.91 120.51 119.66 1pun n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pun n ALA 25 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -3.42 0.00 -2.27 0.00 9.92 -1.11 -5.13 116.55 114.54 1pun n ASP 26 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1pun n ASP 26 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1pun n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pun n ALA 27 N -0.11 -3.20 -1.00 2.24 0.00 -1.26 -4.90 120.51 112.28 1pun n ALA 27 Ca 0.00 1.51 0.12 0.00 0.00 0.00 0.00 53.44 55.07 1pun n ALA 27 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 19.45 16.36 1pun n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1pun n HIS 28 N 1.36 -3.01 -2.40 0.00 -0.00 -1.26 -4.82 115.22 105.09 1pun n HIS 28 Ca -0.24 1.14 -0.20 0.00 0.46 0.00 0.00 57.72 58.88 1pun n HIS 28 Cb 0.38 -2.08 -0.01 0.00 -0.12 0.00 0.00 29.99 28.16 1pun n HIS 28 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1pun n MET 29 N -2.97 -1.76 0.17 1.57 2.81 -1.26 -4.86 117.12 110.82 1pun n MET 29 Ca 0.01 0.96 0.09 0.00 -1.81 0.00 0.00 57.70 56.95 1pun n MET 29 Cb 0.42 -5.61 0.09 0.00 -0.71 0.00 0.00 33.22 27.40 1pun n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pun h ALA 30 N 1.00 0.81 -0.74 3.04 0.00 -1.88 -3.28 119.26 118.21 1pun h ALA 30 Ca -0.47 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.00 1pun h ALA 30 Cb 1.35 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.95 1pun h ALA 30 CO 0.55 0.16 0.40 -1.71 0.00 0.00 0.00 179.25 178.66 1pun n ASN 31 N -3.02 4.02 -0.90 0.00 5.15 -1.23 -4.23 115.26 115.06 1pun n ASN 31 Ca 0.02 -3.19 0.02 0.00 -0.60 0.00 0.00 54.58 50.82 1pun n ASN 31 Cb 0.59 -0.75 0.21 0.00 -0.53 0.00 0.00 39.78 39.30 1pun n ASN 31 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1pun n LYS 32 N -0.49 1.99 -0.71 1.20 0.00 -0.97 -1.31 118.16 117.88 1pun n LYS 32 Ca 0.43 -3.05 -0.30 0.00 0.00 0.00 0.00 58.31 55.39 1pun n LYS 32 Cb 1.37 -1.76 -0.05 0.00 0.00 0.00 0.00 35.03 34.59 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 -1.02 3.08 -4.81 3.14 0.00 -0.05 -4.73 117.00 112.60 1pun n LEU 33 Ca 0.27 -2.31 -0.24 0.00 0.00 0.00 0.00 56.01 53.72 1pun n LEU 33 Cb 0.91 -0.89 -0.05 0.00 0.00 0.00 0.00 43.42 43.39 1pun n LEU 33 CO 0.13 -0.52 -0.08 -1.61 0.00 0.00 0.00 177.39 175.31 1pun s GLU 34 N 4.89 2.32 0.39 1.96 0.41 -1.25 -4.26 118.70 123.16 1pun s GLU 34 Ca 0.44 -1.80 0.08 0.00 -0.41 0.00 0.00 54.97 53.28 1pun s GLU 34 Cb 0.11 -2.11 -0.07 0.00 -1.78 0.00 0.00 34.13 30.28 1pun s GLU 34 CO 0.09 -0.24 -0.02 -0.59 -0.49 0.00 0.00 175.26 174.02 1pun s PHE 35 N -2.60 2.49 1.06 1.61 -0.71 -1.26 -2.71 117.98 115.86 1pun s PHE 35 Ca 0.41 -0.61 -0.21 0.00 -1.04 0.00 0.00 56.93 55.48 1pun s PHE 35 Cb 0.01 -1.65 -0.02 0.00 -1.21 0.00 0.00 43.02 40.15 1pun s PHE 35 CO 0.23 0.49 -0.53 -0.35 -1.34 0.00 0.00 175.22 173.72 1pun n PRO 36 N -0.92 -0.87 0.00 1.99 -0.04 -1.23 -4.62 135.00 129.32 1pun n PRO 36 Ca -0.05 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 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 0.83 2.72 0.55 0.00 -1.25 -1.55 105.19 109.06 1pun n GLY 37 Ca 0.00 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.73 0.62 0.00 -0.02 0.00 -1.24 -3.51 107.32 101.44 1pun s GLY 38 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1pun s GLY 38 CO 0.00 1.43 0.00 1.17 0.00 0.00 0.00 173.10 175.70 1pun n LYS 39 N 5.10 0.00 -0.00 2.90 4.81 -1.26 -5.04 118.16 124.67 1pun n LYS 39 Ca -0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1pun n LYS 39 Cb 0.48 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.53 1pun n LYS 39 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1pun h ILE 40 N 0.00 0.00 0.00 3.15 2.10 -1.86 -3.24 117.51 117.65 1pun h ILE 40 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1pun h ILE 40 Cb 0.00 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 35.73 1pun h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 175.23 1pun n GLU 41 N -2.84 0.00 0.00 2.19 0.28 -1.26 -4.37 120.64 114.64 1pun n GLU 41 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1pun n GLU 41 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 -0.18 0.00 -0.04 3.44 2.81 -1.23 -3.36 117.12 118.57 1pun n MET 42 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 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 0.99 0.00 3.03 0.00 -1.26 -5.12 105.19 102.84 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 1.04 -3.51 1.61 4.71 -1.21 -5.06 120.64 118.21 1pun n GLU 44 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 56.91 1pun n GLU 44 Cb 0.50 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.91 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 0.04 5.14 0.59 2.62 2.01 -1.26 -4.72 115.64 120.05 1pun s THR 45 Ca 0.00 -0.47 0.32 0.00 0.31 0.00 0.00 61.69 61.85 1pun s THR 45 Cb 0.00 -3.83 0.46 0.00 0.01 0.00 0.00 72.50 69.14 1pun s THR 45 CO 0.00 -0.44 1.54 1.55 -0.69 0.00 0.00 174.62 176.58 1pun h PRO 46 N 1.11 0.00 0.00 4.92 0.13 -1.97 0.90 132.00 137.09 1pun h PRO 46 Ca -0.50 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.27 1pun h PRO 46 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1pun h PRO 46 CO 0.63 0.00 -2.20 0.39 -0.23 0.00 0.00 178.00 176.58 1pun n GLU 47 N -3.55 0.47 0.00 0.86 1.02 -1.26 -4.46 120.64 113.71 1pun n GLU 47 Ca 0.23 0.20 0.09 0.00 -0.02 0.00 0.00 57.16 57.66 1pun n GLU 47 Cb 1.37 -1.28 0.48 0.00 -0.02 0.00 0.00 31.44 31.99 1pun n GLU 47 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pun n GLN 48 N -3.99 0.34 0.01 3.49 1.13 -0.72 -2.13 117.38 115.52 1pun n GLN 48 Ca -0.43 0.09 -0.21 0.00 -1.94 0.00 0.00 57.00 54.51 1pun n GLN 48 Cb 0.80 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 29.51 1pun n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pun h ALA 49 N 2.94 0.12 0.05 -1.58 0.00 0.58 -3.35 119.26 118.02 1pun h ALA 49 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 54.91 53.67 1pun h ALA 49 Cb 0.12 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1pun h ALA 49 CO 0.00 0.73 -1.07 -0.24 0.00 0.00 0.00 179.25 178.67 1pun h VAL 50 N -0.33 1.59 -0.97 0.00 3.04 -1.72 -3.28 116.25 114.58 1pun h VAL 50 Ca -0.27 -3.12 0.23 0.00 -1.01 0.00 0.00 66.70 62.53 1pun h VAL 50 Cb 1.73 2.81 -0.08 0.00 -2.01 0.00 0.00 31.29 33.74 1pun h VAL 50 CO 0.07 0.90 0.63 0.58 -1.01 0.00 0.00 177.57 178.75 1pun h VAL 51 N 0.05 0.62 -0.00 1.51 2.07 -1.58 1.62 116.25 120.54 1pun h VAL 51 Ca -0.07 -0.14 -0.17 0.00 0.82 0.00 0.00 66.70 67.14 1pun h VAL 51 Cb 1.80 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1pun h VAL 51 CO 0.16 0.08 -0.80 -0.09 0.02 0.00 0.00 177.57 176.94 1pun h ARG 52 N 0.42 0.06 0.18 1.57 1.12 -1.69 -3.18 114.38 112.85 1pun h ARG 52 Ca 0.52 -0.06 -0.30 0.00 -1.11 0.00 0.00 59.98 59.03 1pun h ARG 52 Cb 1.29 0.02 0.02 0.00 -0.01 0.00 0.00 29.97 31.29 1pun h ARG 52 CO -0.23 0.83 -1.33 0.93 -3.11 0.00 0.00 179.97 177.06 1pun h GLU 53 N 0.03 0.45 -0.64 0.20 4.39 -0.28 -3.14 114.58 115.59 1pun h GLU 53 Ca -0.02 -0.72 0.13 0.00 0.34 0.00 0.00 59.36 59.10 1pun h GLU 53 Cb 1.41 0.26 -0.12 0.00 -0.10 0.00 0.00 28.75 30.20 1pun h GLU 53 CO 0.11 1.34 -0.07 1.25 -1.16 0.00 0.00 179.01 180.48 1pun h LEU 54 N 0.14 -0.42 -1.00 1.33 5.85 0.21 2.04 115.31 123.46 1pun h LEU 54 Ca -0.19 0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1pun h LEU 54 Cb 2.03 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 43.38 1pun h LEU 54 CO 0.24 -0.17 -0.39 1.56 -0.34 0.00 0.00 178.44 179.34 1pun h GLN 55 N 0.06 0.00 0.00 1.25 4.20 -1.66 0.45 115.11 119.41 1pun h GLN 55 Ca 0.33 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.91 1pun h GLN 55 Cb 0.53 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1pun h GLN 55 CO -0.60 0.39 -0.62 1.49 -0.67 0.00 0.00 178.83 178.82 1pun h GLU 56 N 0.00 0.00 -0.27 1.46 4.81 0.81 0.39 114.58 121.78 1pun h GLU 56 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pun h GLU 56 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1pun h GLU 56 CO 0.05 0.62 0.00 0.39 -0.73 0.00 0.00 179.01 179.34 1pun n GLU 57 N -3.42 2.08 0.00 1.92 4.71 0.61 0.11 120.64 126.65 1pun n GLU 57 Ca 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 57.16 55.31 1pun n GLU 57 Cb 0.71 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.84 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 0.12 -4.01 118.33 118.15 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 0.42 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 2.06 0.49 2.42 2.92 0.00 0.14 0.94 105.19 114.15 1pun n GLY 59 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.85 119.36 103.58 1pun n ILE 60 Ca 0.00 -0.55 -0.36 0.00 -0.27 0.00 0.00 62.75 61.57 1pun n ILE 60 Cb 0.00 -1.56 -0.09 0.00 -1.74 0.00 0.00 39.64 36.25 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 -2.72 3.80 0.23 7.28 -4.23 -1.26 -4.95 115.64 113.79 1pun s THR 61 Ca 0.48 -3.13 0.08 0.00 -1.18 0.00 0.00 61.69 57.94 1pun s THR 61 Cb -0.02 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 1pun s THR 61 CO 0.34 -0.91 0.06 -2.16 -0.54 0.00 0.00 174.62 171.41 1pun s PRO 62 N -0.29 2.54 -1.23 3.99 0.04 -1.26 -3.13 135.00 135.65 1pun s PRO 62 Ca 0.19 -1.20 -0.17 0.00 0.04 0.00 0.00 61.00 59.85 1pun s PRO 62 Cb -0.18 -2.36 0.10 0.00 0.04 0.00 0.00 34.50 32.10 1pun s PRO 62 CO -0.05 0.41 1.60 1.14 0.04 0.00 0.00 177.00 180.14 1pun s GLN 63 N -3.49 3.96 -0.07 4.56 -2.07 0.27 -4.88 119.66 117.94 1pun s GLN 63 Ca 0.31 -2.07 0.03 0.00 -1.82 0.00 0.00 55.36 51.81 1pun s GLN 63 Cb -0.08 -5.36 0.01 0.00 -1.09 0.00 0.00 33.01 26.49 1pun s GLN 63 CO 0.21 -2.09 -0.16 -1.58 -1.32 0.00 0.00 175.29 170.35 1pun s HIS 64 N 3.48 1.81 -1.24 9.60 2.46 -1.24 0.71 115.29 130.87 1pun s HIS 64 Ca 0.49 -0.68 0.00 0.00 0.47 0.00 0.00 55.06 55.34 1pun s HIS 64 Cb 0.01 -1.26 0.00 0.00 -0.13 0.00 0.00 32.58 31.20 1pun s HIS 64 CO 0.03 -0.30 0.00 0.34 -2.47 0.00 0.00 174.74 172.34 1pun n PHE 65 N 3.63 0.00 -0.54 3.88 7.35 -1.26 -4.93 117.46 125.59 1pun n PHE 65 Ca -0.21 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.55 1pun n PHE 65 Cb 0.52 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.32 1pun n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1pun n SER 66 N 0.72 -3.02 -4.03 -2.13 7.64 -1.26 -3.15 113.62 108.39 1pun n SER 66 Ca 0.00 0.51 -0.30 0.00 1.01 0.00 0.00 58.87 60.09 1pun n SER 66 Cb 0.00 -1.84 -0.16 0.00 -1.01 0.00 0.00 64.21 61.20 1pun n SER 66 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1pun s LEU 67 N -5.39 1.74 0.08 -3.43 0.05 -1.26 0.10 118.68 110.58 1pun s LEU 67 Ca 0.00 -0.51 -0.12 0.00 0.05 0.00 0.00 54.13 53.55 1pun s LEU 67 Cb 0.00 -1.22 -0.21 0.00 -2.05 0.00 0.00 46.19 42.71 1pun s LEU 67 CO 0.00 -0.05 1.21 0.15 -0.55 0.00 0.00 176.35 177.11 1pun h PHE 68 N 8.03 0.96 -1.81 3.48 3.04 -0.99 -3.42 116.94 126.23 1pun h PHE 68 Ca -0.39 -0.53 0.24 0.00 3.98 0.00 0.00 57.97 61.27 1pun h PHE 68 Cb 1.14 -0.11 -0.13 0.00 2.56 0.00 0.00 35.95 39.41 1pun h PHE 68 CO 0.47 1.37 0.68 -2.00 -2.02 0.00 0.00 178.31 176.81 1pun s GLU 69 N -3.28 0.66 -0.07 1.11 2.12 -1.12 -5.01 118.70 113.10 1pun s GLU 69 Ca -0.09 -0.33 -0.03 0.00 0.36 0.00 0.00 54.97 54.88 1pun s GLU 69 Cb 0.07 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.74 1pun s GLU 69 CO 0.91 -0.30 0.15 -1.59 -0.54 0.00 0.00 175.26 173.90 1pun s LYS 70 N -2.76 0.12 -0.33 4.30 -2.85 -1.26 0.16 119.74 117.12 1pun s LYS 70 Ca 0.11 0.34 -0.15 0.00 -1.00 0.00 0.00 55.97 55.27 1pun s LYS 70 Cb 0.01 -0.12 -0.02 0.00 -2.06 0.00 0.00 37.83 35.65 1pun s LYS 70 CO -0.03 -0.13 0.37 -1.17 0.10 0.00 0.00 175.35 174.49 1pun s LEU 71 N 0.93 4.33 -0.32 2.77 1.98 0.57 -4.92 118.68 124.02 1pun s LEU 71 Ca -0.07 -0.10 -0.01 0.00 -2.89 0.00 0.00 54.13 51.05 1pun s LEU 71 Cb -0.09 -2.37 0.07 0.00 0.66 0.00 0.00 46.19 44.46 1pun s LEU 71 CO -0.05 -0.31 0.04 -0.70 -1.89 0.00 0.00 176.35 173.45 1pun s GLU 72 N 2.05 2.28 -0.08 1.98 2.12 -1.26 -0.57 118.70 125.22 1pun s GLU 72 Ca 0.13 -1.42 -0.03 0.00 0.36 0.00 0.00 54.97 54.01 1pun s GLU 72 Cb -0.16 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 31.02 1pun s GLU 72 CO 0.11 -0.73 0.16 -0.47 -0.54 0.00 0.00 175.26 173.79 1pun s TYR 73 N 1.20 -0.18 -0.21 5.30 5.04 -1.08 -5.08 117.35 122.34 1pun s TYR 73 Ca -0.02 0.57 0.02 0.00 -2.44 0.00 0.00 57.07 55.20 1pun s TYR 73 Cb -0.20 -0.18 0.04 0.00 0.35 0.00 0.00 41.96 41.97 1pun s TYR 73 CO -0.02 -0.23 -0.14 -1.83 -1.34 0.00 0.00 175.55 171.99 1pun s GLU 74 N 1.82 2.39 0.68 4.97 -1.05 -1.26 -1.97 118.70 124.29 1pun s GLU 74 Ca -0.02 -0.99 -0.11 0.00 -0.15 0.00 0.00 54.97 53.70 1pun s GLU 74 Cb -0.12 -2.60 0.00 0.00 -0.44 0.00 0.00 34.13 30.97 1pun s GLU 74 CO -0.06 -0.40 1.08 -0.06 0.95 0.00 0.00 175.26 176.77 1pun s PHE 75 N 1.28 3.39 -0.71 4.83 0.40 -0.80 -4.81 117.98 121.55 1pun s PHE 75 Ca -0.02 1.09 -0.15 0.00 -0.60 0.00 0.00 56.93 57.26 1pun s PHE 75 Cb -0.16 -2.99 -0.18 0.00 0.51 0.00 0.00 43.02 40.20 1pun s PHE 75 CO -0.09 -1.07 1.91 -0.35 0.70 0.00 0.00 175.22 176.33 1pun n PRO 76 N -2.94 0.16 -0.58 0.24 -0.04 -1.26 0.22 135.00 130.79 1pun n PRO 76 Ca 0.07 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1pun n PRO 76 Cb 0.56 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1pun n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1pun n ASP 77 N 11.87 -0.50 -4.06 3.54 2.03 -1.26 -4.97 116.55 123.20 1pun n ASP 77 Ca 0.39 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.59 1pun n ASP 77 Cb 0.38 -0.17 -0.11 0.00 -0.72 0.00 0.00 41.12 40.51 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 -1.66 0.52 -0.19 -0.67 3.52 0.59 -3.22 118.95 117.85 1pun s ARG 78 Ca 0.00 -0.85 -0.04 0.00 -0.13 0.00 0.00 55.73 54.71 1pun s ARG 78 Cb 0.00 -0.11 0.09 0.00 -1.56 0.00 0.00 34.95 33.37 1pun s ARG 78 CO 0.00 -0.01 0.27 -1.01 -0.81 0.00 0.00 175.30 173.74 1pun s HIS 79 N -2.01 -0.44 -0.04 5.12 3.76 0.14 -1.91 115.29 119.91 1pun s HIS 79 Ca -0.07 0.60 0.04 0.00 -0.15 0.00 0.00 55.06 55.48 1pun s HIS 79 Cb -0.06 -0.18 -0.00 0.00 1.11 0.00 0.00 32.58 33.45 1pun s HIS 79 CO -0.02 -0.54 -0.16 -1.50 -0.85 0.00 0.00 174.74 171.67 1pun s ILE 80 N 2.40 1.32 -0.10 0.60 2.07 -0.83 0.73 121.20 127.39 1pun s ILE 80 Ca 0.06 -0.65 -0.01 0.00 -1.41 0.00 0.00 60.65 58.63 1pun s ILE 80 Cb -0.14 -1.14 0.03 0.00 0.13 0.00 0.00 42.46 41.34 1pun s ILE 80 CO -0.12 0.38 -0.01 0.42 -1.91 0.00 0.00 174.94 173.71 1pun s THR 81 N 0.08 0.51 -0.27 4.00 -4.23 -0.93 -2.63 115.64 112.17 1pun s THR 81 Ca -0.04 -0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1pun s THR 81 Cb -0.11 -0.71 0.03 0.00 1.34 0.00 0.00 72.50 73.05 1pun s THR 81 CO 0.02 0.20 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.51 1pun s LEU 82 N 1.91 3.46 -0.26 4.79 1.43 0.27 0.90 118.68 131.18 1pun s LEU 82 Ca 0.04 -0.95 -0.10 0.00 -1.03 0.00 0.00 54.13 52.08 1pun s LEU 82 Cb -0.13 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1pun s LEU 82 CO -0.06 -0.17 0.16 0.26 0.23 0.00 0.00 176.35 176.77 1pun s TRP 83 N 1.33 3.26 -0.27 0.29 0.52 0.82 0.21 118.94 125.10 1pun s TRP 83 Ca -0.01 0.14 -0.11 0.00 0.02 0.00 0.00 56.10 56.14 1pun s TRP 83 Cb -0.17 -2.31 -0.05 0.00 -1.15 0.00 0.00 33.47 29.79 1pun s TRP 83 CO -0.03 -0.05 0.18 -0.06 0.02 0.00 0.00 176.95 177.01 1pun s PHE 84 N 1.37 3.23 -0.25 -1.98 0.40 0.42 0.13 117.98 121.29 1pun s PHE 84 Ca 0.07 0.10 -0.11 0.00 -0.60 0.00 0.00 56.93 56.39 1pun s PHE 84 Cb -0.15 -2.35 -0.05 0.00 0.51 0.00 0.00 43.02 40.98 1pun s PHE 84 CO 0.07 -0.13 0.18 -1.58 0.70 0.00 0.00 175.22 174.46 1pun s TRP 85 N 1.62 3.28 -0.76 0.36 0.52 0.11 -0.40 118.94 123.68 1pun s TRP 85 Ca 0.07 0.20 -0.24 0.00 0.02 0.00 0.00 56.10 56.16 1pun s TRP 85 Cb -0.16 -2.33 0.06 0.00 -1.15 0.00 0.00 33.47 29.90 1pun s TRP 85 CO 0.09 -0.03 1.14 -1.17 0.02 0.00 0.00 176.95 177.01 1pun s LEU 86 N 1.36 3.98 0.43 2.99 2.96 0.29 -3.28 118.68 127.41 1pun s LEU 86 Ca 0.08 -1.01 -0.23 0.00 -0.22 0.00 0.00 54.13 52.74 1pun s LEU 86 Cb -0.15 -2.48 -0.08 0.00 0.50 0.00 0.00 46.19 43.99 1pun s LEU 86 CO 0.07 -1.53 1.12 -0.69 -1.32 0.00 0.00 176.35 174.01 1pun s VAL 87 N 4.53 3.33 -0.15 1.68 1.01 -1.13 -4.11 120.40 125.55 1pun s VAL 87 Ca 0.30 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.32 1pun s VAL 87 Cb -0.10 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 1pun s VAL 87 CO 0.07 0.00 -0.13 -0.62 0.00 0.00 0.00 175.10 174.42 1pun n GLU 88 N -0.29 0.46 -3.65 2.72 1.02 -0.75 -3.70 120.64 116.46 1pun n GLU 88 Ca 0.06 0.08 -0.08 0.00 -0.02 0.00 0.00 57.16 57.20 1pun n GLU 88 Cb 0.48 -1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 30.58 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 -2.30 1.36 -0.10 3.49 1.04 0.22 -3.81 118.95 118.85 1pun s ARG 89 Ca -0.20 -0.66 -0.05 0.00 -1.04 0.00 0.00 55.73 53.79 1pun s ARG 89 Cb 0.05 0.53 0.04 0.00 -2.04 0.00 0.00 34.95 33.53 1pun s ARG 89 CO 0.36 -0.61 0.23 1.67 -0.04 0.00 0.00 175.30 176.91 1pun s TRP 90 N -3.61 -0.30 0.49 5.89 -2.14 -1.18 0.98 118.94 119.07 1pun s TRP 90 Ca 0.07 0.74 -0.10 0.00 2.66 0.00 0.00 56.10 59.47 1pun s TRP 90 Cb -0.03 0.03 -0.05 0.00 -3.10 0.00 0.00 33.47 30.32 1pun s TRP 90 CO -0.03 -0.22 0.87 -1.21 -2.66 0.00 0.00 176.95 173.70 1pun s GLU 91 N 1.17 3.69 8.00 3.25 2.02 -1.18 -4.83 118.70 130.83 1pun s GLU 91 Ca -0.09 0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.43 1pun s GLU 91 Cb -0.10 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1pun s GLU 91 CO -0.08 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.37 1pun n GLY 92 N -1.96 4.39 3.04 -1.39 0.00 -1.26 -4.52 105.19 103.50 1pun n GLY 92 Ca 0.03 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 0.59 0.00 1.61 2.02 -1.26 -5.13 118.70 116.53 1pun s GLU 93 Ca 0.00 -0.54 -0.30 0.00 0.02 0.00 0.00 54.97 54.15 1pun s GLU 93 Cb 0.00 -0.49 -0.04 0.00 0.10 0.00 0.00 34.13 33.70 1pun s GLU 93 CO 0.00 0.12 1.11 -2.14 0.02 0.00 0.00 175.26 174.36 1pun s PRO 94 N -0.92 4.46 0.17 0.39 0.02 -1.26 -4.56 135.00 133.29 1pun s PRO 94 Ca -0.03 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.59 1pun s PRO 94 Cb -0.07 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1pun s PRO 94 CO 0.00 -0.23 0.00 -2.67 -0.33 0.00 0.00 177.00 173.78 1pun n TRP 95 N 4.25 -1.70 0.00 6.54 4.27 -0.43 -5.02 117.44 125.36 1pun n TRP 95 Ca 0.08 0.33 0.00 0.00 -3.89 0.00 0.00 57.50 54.02 1pun n TRP 95 Cb 0.48 0.80 0.00 0.00 -1.36 0.00 0.00 31.31 31.24 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 1.10 0.59 0.00 -1.67 0.00 0.27 -4.04 105.19 101.44 1pun n GLY 96 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.11 1.61 4.81 0.29 -4.69 118.16 120.08 1pun n LYS 97 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1pun n LYS 97 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1pun n LYS 97 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1pun n GLU 98 N 0.00 0.58 0.00 1.64 0.28 -1.26 -4.58 120.64 117.30 1pun n GLU 98 Ca 0.00 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1pun n GLU 98 Cb 0.00 -1.69 0.00 0.00 1.43 0.00 0.00 31.44 31.18 1pun n GLU 98 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pun n GLY 99 N 1.43 -1.15 3.54 -1.84 0.00 -1.26 -4.98 105.19 100.93 1pun n GLY 99 Ca -0.37 0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.50 0.42 1.61 1.11 -1.26 -5.04 119.66 119.99 1pun s GLN 100 Ca 0.00 -0.30 -0.22 0.00 0.01 0.00 0.00 55.36 54.85 1pun s GLN 100 Cb 0.00 -3.85 -0.14 0.00 -1.01 0.00 0.00 33.01 28.02 1pun s GLN 100 CO 0.00 -0.71 0.37 -2.30 0.01 0.00 0.00 175.29 172.66 1pun n PRO 101 N 5.75 0.34 -4.40 2.91 -0.02 -1.26 -4.34 135.00 133.98 1pun n PRO 101 Ca -0.05 0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.34 1pun n PRO 101 Cb 0.49 -1.32 -0.08 0.00 -0.02 0.00 0.00 33.50 32.56 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 -0.98 2.37 0.19 -1.23 0.00 -1.26 -4.43 107.32 101.97 1pun s GLY 102 Ca 0.62 -1.61 0.11 0.00 0.00 0.00 0.00 44.72 43.84 1pun s GLY 102 CO 0.60 -1.67 -0.24 -0.54 0.00 0.00 0.00 173.10 171.25 1pun s GLU 103 N -3.68 1.53 -0.32 2.90 0.41 -1.24 -4.82 118.70 113.49 1pun s GLU 103 Ca 0.32 -1.50 -0.28 0.00 -0.41 0.00 0.00 54.97 53.10 1pun s GLU 103 Cb 0.03 -1.86 -0.06 0.00 -1.78 0.00 0.00 34.13 30.46 1pun s GLU 103 CO 0.19 0.41 2.29 0.91 -0.49 0.00 0.00 175.26 178.56 1pun n TRP 104 N 0.31 1.76 -4.99 1.61 8.01 -1.26 -3.37 117.44 119.50 1pun n TRP 104 Ca -0.13 -0.02 -0.30 0.00 -1.31 0.00 0.00 57.50 55.74 1pun n TRP 104 Cb 0.56 -2.68 -0.15 0.00 -2.01 0.00 0.00 31.31 27.02 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 6.95 1.91 -0.08 -0.99 0.23 -1.14 -4.81 119.30 121.36 1pun s MET 105 Ca 1.01 -1.05 -0.30 0.00 -1.03 0.00 0.00 55.69 54.32 1pun s MET 105 Cb -0.34 -2.01 -0.08 0.00 -1.53 0.00 0.00 34.83 30.86 1pun s MET 105 CO 0.34 0.53 2.05 -1.13 -2.03 0.00 0.00 175.02 174.78 1pun n SER 106 N 1.94 3.67 0.24 -1.18 3.41 -1.26 0.54 113.62 120.97 1pun n SER 106 Ca -0.17 0.67 0.16 0.00 -0.26 0.00 0.00 58.87 59.28 1pun n SER 106 Cb 0.52 -1.50 0.66 0.00 -0.26 0.00 0.00 64.21 63.63 1pun n SER 106 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1pun h LEU 107 N 11.84 0.00 -1.28 1.04 7.12 -1.85 -3.11 115.31 129.06 1pun h LEU 107 Ca -0.46 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.55 1pun h LEU 107 Cb 1.25 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1pun h LEU 107 CO 0.95 0.00 0.27 1.62 -0.13 0.00 0.00 178.44 181.16 1pun h VAL 108 N 0.00 0.00 -1.05 1.05 3.04 -1.92 -1.77 116.25 115.60 1pun h VAL 108 Ca 0.00 0.00 -0.47 0.00 -1.01 0.00 0.00 66.70 65.22 1pun h VAL 108 Cb 0.44 0.43 -0.41 0.00 -2.01 0.00 0.00 31.29 29.74 1pun h VAL 108 CO 0.00 0.00 -0.93 0.61 -1.01 0.00 0.00 177.57 176.24 1pun n GLY 109 N -1.26 4.32 3.77 3.17 0.00 -1.18 -5.08 105.19 108.93 1pun n GLY 109 Ca -0.01 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 1pun n GLY 109 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1pun s LEU 110 N -3.49 4.35 -0.13 0.99 2.34 -0.67 -5.01 118.68 117.07 1pun s LEU 110 Ca 0.40 2.93 0.02 0.00 0.06 0.00 0.00 54.13 57.54 1pun s LEU 110 Cb 0.41 -3.65 0.01 0.00 -0.56 0.00 0.00 46.19 42.40 1pun s LEU 110 CO -0.06 -0.81 -0.17 0.20 -1.06 0.00 0.00 176.35 174.45 1pun s ASN 111 N 0.03 2.69 0.30 1.48 0.02 -1.26 -4.71 114.94 113.49 1pun s ASN 111 Ca 0.56 -0.49 0.26 0.00 -1.02 0.00 0.00 52.86 52.16 1pun s ASN 111 Cb -0.45 -1.22 0.96 0.00 0.02 0.00 0.00 41.25 40.57 1pun s ASN 111 CO 0.55 0.02 1.76 0.00 0.02 0.00 0.00 177.10 179.46 1pun h ALA 112 N 7.50 1.00 0.01 0.60 0.00 -1.90 -3.01 119.26 123.47 1pun h ALA 112 Ca -0.33 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1pun h ALA 112 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pun h ALA 112 CO 0.52 0.00 -0.11 0.38 0.00 0.00 0.00 179.25 180.04 1pun h ASP 113 N 0.00 0.07 0.84 0.00 2.03 -1.95 -3.30 116.42 114.12 1pun h ASP 113 Ca 0.00 -0.93 -0.00 0.00 -0.73 0.00 0.00 57.03 55.37 1pun h ASP 113 Cb 0.50 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1pun h ASP 113 CO 0.00 0.99 -0.00 0.44 -1.03 0.00 0.00 179.24 179.64 1pun h ASP 114 N -0.84 0.00 -1.89 4.15 5.19 -1.83 -3.44 116.42 117.76 1pun h ASP 114 Ca -0.02 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.94 1pun h ASP 114 Cb 1.02 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.53 1pun h ASP 114 CO 0.02 0.00 -0.37 0.72 -3.12 0.00 0.00 179.24 176.49 1pun s PHE 115 N -3.75 3.17 0.37 4.55 -0.71 -1.14 -0.87 117.98 119.60 1pun s PHE 115 Ca 0.00 -0.18 -0.28 0.00 -1.04 0.00 0.00 56.93 55.43 1pun s PHE 115 Cb 0.10 -1.88 -0.11 0.00 -1.21 0.00 0.00 43.02 39.92 1pun s PHE 115 CO 0.52 0.11 1.48 -1.25 -1.34 0.00 0.00 175.22 174.74 1pun s PRO 116 N -4.11 4.12 0.26 1.99 0.04 -0.42 -4.70 135.00 132.17 1pun s PRO 116 Ca 0.42 2.56 0.24 0.00 0.04 0.00 0.00 61.00 64.25 1pun s PRO 116 Cb -0.09 -2.97 1.00 0.00 0.04 0.00 0.00 34.50 32.47 1pun s PRO 116 CO 0.30 -0.52 1.71 -0.35 0.04 0.00 0.00 177.00 178.18 1pun n PRO 117 N 0.49 0.19 0.18 0.56 -0.04 -1.26 -2.79 135.00 132.34 1pun n PRO 117 Ca 0.01 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 1pun n PRO 117 Cb 0.39 -1.88 0.65 0.00 -0.04 0.00 0.00 33.50 32.62 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 2.25 1.00 0.00 0.55 0.00 -1.97 -1.58 119.26 119.51 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 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pun h ALA 118 CO 0.00 0.00 -0.02 0.09 0.00 0.00 0.00 179.25 179.32 1pun n ASN 119 N -2.40 1.64 -0.22 0.00 5.03 -1.12 -4.82 115.26 113.38 1pun n ASN 119 Ca -0.01 -1.99 0.02 0.00 0.87 0.00 0.00 54.58 53.47 1pun n ASN 119 Cb 0.09 -0.07 0.13 0.00 -1.02 0.00 0.00 39.78 38.91 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 0.00 0.20 -1.12 3.52 4.81 -1.37 -2.08 114.58 118.54 1pun h GLU 120 Ca 0.00 -0.01 0.34 0.00 -0.13 0.00 0.00 59.36 59.56 1pun h GLU 120 Cb 0.69 -0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.90 1pun h GLU 120 CO 0.00 0.13 0.70 -1.35 -0.73 0.00 0.00 179.01 177.76 1pun h PRO 121 N 0.21 0.26 0.02 0.92 0.11 -1.88 1.93 132.00 133.57 1pun h PRO 121 Ca 0.35 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.44 1pun h PRO 121 Cb 0.57 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1pun h PRO 121 CO -0.49 0.17 -0.01 0.28 -0.21 0.00 0.00 178.00 177.74 1pun h VAL 122 N 0.27 1.26 0.00 3.15 2.07 -1.77 -3.30 116.25 117.92 1pun h VAL 122 Ca 0.72 -1.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 1pun h VAL 122 Cb 1.92 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.99 1pun h VAL 122 CO -0.45 0.40 -0.51 0.40 0.02 0.00 0.00 177.57 177.43 1pun h ILE 123 N -0.94 1.13 -0.27 4.57 1.08 -1.37 -3.22 117.51 118.48 1pun h ILE 123 Ca -0.00 -1.93 0.06 0.00 -0.39 0.00 0.00 64.86 62.60 1pun h ILE 123 Cb 0.69 2.12 -0.06 0.00 -3.07 0.00 0.00 36.82 36.50 1pun h ILE 123 CO 0.01 0.50 -0.09 0.00 -0.69 0.00 0.00 178.15 177.88 1pun h ALA 124 N 1.49 0.15 -0.34 1.87 0.00 0.29 1.97 119.26 124.69 1pun h ALA 124 Ca -0.01 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1pun h ALA 124 Cb 1.08 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1pun h ALA 124 CO 0.07 -0.49 -0.00 -0.22 0.00 0.00 0.00 179.25 178.60 1pun h LYS 125 N -0.04 0.09 0.00 0.00 3.11 -1.63 0.46 116.57 118.57 1pun h LYS 125 Ca 0.14 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1pun h LYS 125 Cb 0.24 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1pun h LYS 125 CO -0.30 0.06 -0.02 -0.07 -2.81 0.00 0.00 179.45 176.31 1pun h LEU 126 N 0.09 0.01 -1.43 5.20 -0.00 -1.56 -3.32 115.31 114.30 1pun h LEU 126 Ca 0.16 -0.93 0.24 0.00 -0.00 0.00 0.00 57.88 57.35 1pun h LEU 126 Cb 0.22 -0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.80 1pun h LEU 126 CO -0.27 0.94 0.64 0.50 -0.00 0.00 0.00 178.44 180.24 1pun h LYS 127 N -0.91 0.40 0.00 1.13 3.64 0.32 1.83 116.57 122.98 1pun h LYS 127 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1pun h LYS 127 Cb 0.94 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1pun h LYS 127 CO 0.00 0.26 0.00 -2.13 -2.27 0.00 0.00 179.45 175.32 1pun n ARG 128 N -4.56 0.07 -0.03 1.90 0.63 0.15 -4.99 116.66 109.81 1pun n ARG 128 Ca 0.22 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 1pun n ARG 128 Cb 0.79 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 32.02 1pun n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40