#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 0.04 0.03 2.47 -0.91 -5.05 119.74 119.94 1pun s LYS 2 Ca 0.00 -0.55 -0.01 0.00 -1.56 0.00 0.00 55.97 53.85 1pun s LYS 2 Cb 0.00 -2.86 -0.04 0.00 -1.46 0.00 0.00 37.83 33.48 1pun s LYS 2 CO 0.00 0.23 -0.03 -1.59 0.16 0.00 0.00 175.35 174.13 1pun s LYS 3 N 0.36 0.55 -0.13 4.03 0.00 -1.26 0.37 119.74 123.67 1pun s LYS 3 Ca -0.05 -1.10 -0.05 0.00 0.00 0.00 0.00 55.97 54.77 1pun s LYS 3 Cb -0.15 0.19 0.06 0.00 0.00 0.00 0.00 37.83 37.94 1pun s LYS 3 CO 0.03 -0.10 0.26 -0.48 0.00 0.00 0.00 175.35 175.06 1pun s LEU 4 N -2.63 -0.29 0.03 2.77 0.05 0.50 -4.87 118.68 114.24 1pun s LEU 4 Ca 0.02 0.58 0.00 0.00 0.05 0.00 0.00 54.13 54.78 1pun s LEU 4 Cb 0.04 0.68 -0.04 0.00 -2.05 0.00 0.00 46.19 44.83 1pun s LEU 4 CO -0.08 -0.24 0.14 -1.10 -0.55 0.00 0.00 176.35 174.51 1pun s GLN 5 N 2.41 3.20 -0.12 1.48 -0.21 -1.26 -0.92 119.66 124.25 1pun s GLN 5 Ca 0.01 -0.49 -0.07 0.00 0.02 0.00 0.00 55.36 54.83 1pun s GLN 5 Cb -0.12 -2.93 0.04 0.00 1.00 0.00 0.00 33.01 31.01 1pun s GLN 5 CO -0.08 0.62 0.28 0.42 -2.12 0.00 0.00 175.29 174.41 1pun s ILE 6 N -1.36 -0.03 -0.11 1.08 1.09 0.16 -3.61 121.20 118.43 1pun s ILE 6 Ca 0.29 0.10 0.02 0.00 -1.10 0.00 0.00 60.65 59.95 1pun s ILE 6 Cb -0.12 -0.42 0.02 0.00 -1.06 0.00 0.00 42.46 40.87 1pun s ILE 6 CO 0.21 0.04 -0.15 0.00 -0.10 0.00 0.00 174.94 174.94 1pun s ALA 7 N 1.01 1.66 0.29 9.38 0.00 -1.21 -0.11 121.76 132.78 1pun s ALA 7 Ca -0.07 -0.71 0.10 0.00 0.00 0.00 0.00 51.96 51.28 1pun s ALA 7 Cb -0.08 -0.83 -0.06 0.00 0.00 0.00 0.00 23.12 22.15 1pun s ALA 7 CO -0.07 -0.10 -0.14 0.14 0.00 0.00 0.00 175.76 175.59 1pun s VAL 8 N 1.03 2.19 -0.02 0.00 -7.23 0.48 -3.68 120.40 113.18 1pun s VAL 8 Ca -0.06 -2.28 -0.12 0.00 -1.81 0.00 0.00 61.98 57.71 1pun s VAL 8 Cb -0.15 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.40 1pun s VAL 8 CO -0.02 -0.34 0.26 -0.83 -0.31 0.00 0.00 175.10 173.86 1pun s GLY 9 N -3.51 -0.11 -0.27 2.32 0.00 -0.33 0.59 107.32 106.01 1pun s GLY 9 Ca 0.30 0.26 -0.09 0.00 0.00 0.00 0.00 44.72 45.18 1pun s GLY 9 CO 0.14 0.08 0.14 -0.26 0.00 0.00 0.00 173.10 173.20 1pun s ILE 10 N -1.18 4.90 -0.33 0.90 -0.00 -1.08 -3.36 121.20 121.05 1pun s ILE 10 Ca -0.12 0.03 -0.29 0.00 -0.00 0.00 0.00 60.65 60.27 1pun s ILE 10 Cb -0.05 -3.32 0.02 0.00 -0.00 0.00 0.00 42.46 39.11 1pun s ILE 10 CO 0.03 0.29 1.08 -0.63 -0.00 0.00 0.00 174.94 175.70 1pun s ILE 11 N 1.70 4.49 0.50 8.37 1.01 -1.26 -2.17 121.20 133.83 1pun s ILE 11 Ca 0.07 1.69 -0.19 0.00 0.00 0.00 0.00 60.65 62.22 1pun s ILE 11 Cb -0.16 -4.43 -0.08 0.00 0.01 0.00 0.00 42.46 37.80 1pun s ILE 11 CO 0.08 -0.52 1.00 -0.13 0.00 0.00 0.00 174.94 175.37 1pun s ARG 12 N 3.71 3.88 0.46 2.79 1.81 -1.21 -3.17 118.95 127.21 1pun s ARG 12 Ca 0.45 1.16 0.04 0.00 -1.72 0.00 0.00 55.73 55.67 1pun s ARG 12 Cb -0.12 -2.12 -0.05 0.00 -0.45 0.00 0.00 34.95 32.22 1pun s ARG 12 CO 0.17 -0.34 0.01 1.21 -0.68 0.00 0.00 175.30 175.66 1pun s ASN 13 N -2.46 3.98 0.30 0.23 2.47 -1.20 -3.43 114.94 114.83 1pun s ASN 13 Ca 0.63 -1.51 0.04 0.00 0.42 0.00 0.00 52.86 52.44 1pun s ASN 13 Cb -0.13 0.05 0.77 0.00 -1.45 0.00 0.00 41.25 40.50 1pun s ASN 13 CO 0.24 -0.65 1.63 -0.08 -3.72 0.00 0.00 177.10 174.53 1pun h GLU 14 N 1.57 0.17 0.00 0.43 4.22 -1.88 -3.21 114.58 115.89 1pun h GLU 14 Ca -0.44 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1pun h GLU 14 Cb 1.28 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1pun h GLU 14 CO 0.78 0.11 0.00 -1.71 -2.18 0.00 0.00 179.01 176.01 1pun n ASN 15 N -5.25 0.00 0.00 1.04 2.85 -1.26 -5.02 115.26 107.62 1pun n ASN 15 Ca 0.23 0.35 0.00 0.00 -0.11 0.00 0.00 54.58 55.05 1pun n ASN 15 Cb 0.74 -0.49 0.00 0.00 1.24 0.00 0.00 39.78 41.28 1pun n ASN 15 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1pun n ASN 16 N -2.10 0.00 -4.46 1.20 4.13 -1.21 -5.15 115.26 107.67 1pun n ASN 16 Ca 0.00 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.93 1pun n ASN 16 Cb 0.00 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.11 1pun n ASN 16 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1pun s GLU 17 N 0.00 3.28 -0.26 3.52 2.02 -1.26 -4.52 118.70 121.49 1pun s GLU 17 Ca 0.00 -0.61 -0.09 0.00 0.02 0.00 0.00 54.97 54.29 1pun s GLU 17 Cb 0.00 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 1pun s GLU 17 CO 0.00 0.34 0.13 -1.50 0.02 0.00 0.00 175.26 174.25 1pun s ILE 18 N 0.05 4.90 -0.50 -1.63 -1.16 0.31 -3.24 121.20 119.93 1pun s ILE 18 Ca -0.03 0.03 -0.26 0.00 -0.51 0.00 0.00 60.65 59.88 1pun s ILE 18 Cb -0.14 -3.31 -0.06 0.00 0.61 0.00 0.00 42.46 39.56 1pun s ILE 18 CO 0.04 0.31 2.36 0.12 -2.81 0.00 0.00 174.94 174.95 1pun s PHE 19 N 1.56 1.12 -0.12 3.50 5.36 -1.19 -2.68 117.98 125.52 1pun s PHE 19 Ca 0.07 1.49 -0.05 0.00 -0.96 0.00 0.00 56.93 57.48 1pun s PHE 19 Cb -0.15 -3.63 -0.04 0.00 -0.34 0.00 0.00 43.02 38.86 1pun s PHE 19 CO 0.07 -2.54 0.06 0.42 -1.46 0.00 0.00 175.22 171.77 1pun s ILE 20 N 11.91 4.78 -0.32 3.12 1.01 -1.21 -4.59 121.20 135.91 1pun s ILE 20 Ca 0.95 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 61.26 1pun s ILE 20 Cb -0.17 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1pun s ILE 20 CO 0.26 0.57 1.66 0.28 0.00 0.00 0.00 174.94 177.72 1pun s THR 21 N -0.62 3.63 -0.10 2.92 -1.32 -0.49 -3.92 115.64 115.74 1pun s THR 21 Ca 0.11 0.66 0.02 0.00 -1.21 0.00 0.00 61.69 61.27 1pun s THR 21 Cb -0.12 -3.78 0.01 0.00 -1.51 0.00 0.00 72.50 67.10 1pun s THR 21 CO 0.02 -0.46 -0.16 -0.60 -2.21 0.00 0.00 174.62 171.21 1pun s ARG 22 N 5.23 2.30 -0.36 7.08 3.52 -1.26 -2.02 118.95 133.44 1pun s ARG 22 Ca 0.74 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.73 1pun s ARG 22 Cb -0.21 -1.91 0.00 0.00 -1.56 0.00 0.00 34.95 31.27 1pun s ARG 22 CO 0.32 -0.01 0.00 0.54 -0.81 0.00 0.00 175.30 175.34 1pun n ARG 23 N 4.04 -2.20 -2.27 5.12 1.74 -1.24 -0.60 116.66 121.25 1pun n ARG 23 Ca -0.20 0.20 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1pun n ARG 23 Cb 0.52 -4.59 -0.01 0.00 -1.02 0.00 0.00 32.46 27.36 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 -1.80 -0.75 -2.15 7.54 0.00 -1.26 0.66 120.51 122.75 1pun n ALA 24 Ca -0.04 0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 1pun n ALA 24 Cb 0.40 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.00 -0.56 -3.00 0.00 0.00 0.23 -4.78 120.51 110.41 1pun n ALA 25 Ca -0.09 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1pun n ALA 25 Cb 0.52 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.67 0.00 -4.42 0.00 8.00 0.21 -5.10 116.55 113.57 1pun n ASP 26 Ca -0.20 -0.55 -0.44 0.00 0.71 0.00 0.00 54.79 54.31 1pun n ASP 26 Cb 0.64 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 1pun n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pun s ALA 27 N -1.00 3.39 0.00 2.24 0.00 -1.26 -4.69 121.76 120.43 1pun s ALA 27 Ca 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 51.96 49.53 1pun s ALA 27 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1pun s ALA 27 CO 0.00 -2.67 0.00 0.72 0.00 0.00 0.00 175.76 173.81 1pun n HIS 28 N 6.52 -0.09 -3.57 0.00 8.25 -1.26 -5.09 115.22 119.97 1pun n HIS 28 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.23 1pun n HIS 28 Cb 0.46 0.08 -0.15 0.00 1.12 0.00 0.00 29.99 31.50 1pun n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pun s MET 29 N -0.16 0.22 0.16 -0.41 0.23 -1.26 -4.99 119.30 113.09 1pun s MET 29 Ca 0.00 -0.50 0.18 0.00 -1.03 0.00 0.00 55.69 54.34 1pun s MET 29 Cb 0.00 -1.37 0.79 0.00 -1.53 0.00 0.00 34.83 32.72 1pun s MET 29 CO 0.00 -0.95 1.55 0.00 -2.03 0.00 0.00 175.02 173.59 1pun n ALA 30 N 5.22 1.51 -0.72 3.16 0.00 -1.26 -2.25 120.51 126.17 1pun n ALA 30 Ca -0.06 0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 1pun n ALA 30 Cb 0.43 -1.29 0.24 0.00 0.00 0.00 0.00 19.45 18.83 1pun n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pun n ASN 31 N -1.93 4.26 -0.88 0.00 5.15 -1.22 -4.19 115.26 116.45 1pun n ASN 31 Ca 0.02 -3.07 0.02 0.00 -0.60 0.00 0.00 54.58 50.95 1pun n ASN 31 Cb 0.16 -0.72 0.21 0.00 -0.53 0.00 0.00 39.78 38.90 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 -0.20 2.02 -1.02 1.20 3.00 -0.95 -2.06 118.16 120.13 1pun n LYS 32 Ca 0.37 -3.03 -0.30 0.00 -0.00 0.00 0.00 58.31 55.35 1pun n LYS 32 Cb 1.27 -1.76 -0.02 0.00 0.00 0.00 0.00 35.03 34.52 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 -1.01 6.71 0.00 3.14 0.00 -0.65 -4.24 117.00 120.96 1pun n LEU 33 Ca 0.26 -3.59 -0.13 0.00 0.00 0.00 0.00 56.01 52.55 1pun n LEU 33 Cb 0.91 -1.32 -0.02 0.00 0.00 0.00 0.00 43.42 42.99 1pun n LEU 33 CO 0.13 1.28 -0.08 1.21 0.00 0.00 0.00 177.39 179.93 1pun n GLU 34 N 4.01 1.42 -4.56 1.96 2.13 -0.86 -4.39 120.64 120.35 1pun n GLU 34 Ca 0.60 -1.54 -0.26 0.00 0.66 0.00 0.00 57.16 56.62 1pun n GLU 34 Cb 0.19 0.37 -0.11 0.00 0.27 0.00 0.00 31.44 32.16 1pun n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1pun s PHE 35 N -1.66 2.42 1.09 4.31 0.40 -1.26 -1.40 117.98 121.87 1pun s PHE 35 Ca 0.02 -0.56 -0.18 0.00 -0.60 0.00 0.00 56.93 55.62 1pun s PHE 35 Cb -0.00 -1.48 0.08 0.00 0.51 0.00 0.00 43.02 42.13 1pun s PHE 35 CO 0.01 0.54 0.01 -0.35 0.70 0.00 0.00 175.22 176.13 1pun n PRO 36 N -0.84 -1.31 0.00 0.24 -0.04 -1.21 -4.61 135.00 127.23 1pun n PRO 36 Ca -0.05 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 1pun n PRO 36 Cb 0.64 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 2.00 0.85 2.80 0.55 0.00 -1.25 -1.19 105.19 108.95 1pun n GLY 37 Ca 0.02 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.80 0.90 0.00 -0.02 0.00 -1.24 -3.35 107.32 101.81 1pun s GLY 38 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1pun s GLY 38 CO 0.00 1.26 0.00 1.17 0.00 0.00 0.00 173.10 175.53 1pun n LYS 39 N 4.93 0.00 -0.02 2.90 4.81 -1.26 -5.00 118.16 124.52 1pun n LYS 39 Ca -0.10 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.45 1pun n LYS 39 Cb 0.46 0.00 0.52 0.00 0.02 0.00 0.00 35.03 36.04 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 0.93 0.00 3.15 3.07 -1.82 -3.26 117.51 119.59 1pun h ILE 40 Ca 0.00 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.29 1pun h ILE 40 Cb 0.00 0.56 0.00 0.00 -0.27 0.00 0.00 36.82 37.11 1pun h ILE 40 CO 0.00 0.06 0.00 -1.84 -1.05 0.00 0.00 178.15 175.32 1pun n GLU 41 N -4.47 0.00 0.00 0.16 0.28 -1.24 -4.26 120.64 111.11 1pun n GLU 41 Ca 0.07 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 1pun n GLU 41 Cb 0.31 -0.75 0.00 0.00 1.43 0.00 0.00 31.44 32.43 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 -0.46 0.00 -0.94 3.44 2.81 -1.23 -2.54 117.12 118.20 1pun n MET 42 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1pun n MET 42 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 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 -0.18 0.00 3.03 0.00 -1.26 -5.14 105.19 101.65 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 1.32 -3.66 1.61 4.71 -1.05 -5.07 120.64 118.39 1pun n GLU 44 Ca -0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.85 1pun n GLU 44 Cb 0.44 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.86 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 0.97 5.05 0.58 2.62 2.01 -1.26 -4.74 115.64 120.87 1pun s THR 45 Ca 0.00 -0.76 0.34 0.00 0.31 0.00 0.00 61.69 61.58 1pun s THR 45 Cb 0.00 -3.81 0.49 0.00 0.01 0.00 0.00 72.50 69.19 1pun s THR 45 CO 0.00 -0.41 1.56 1.55 -0.69 0.00 0.00 174.62 176.63 1pun h PRO 46 N 0.95 0.00 0.00 4.92 0.13 -1.99 0.52 132.00 136.53 1pun h PRO 46 Ca -0.50 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.28 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 -2.12 0.39 -0.23 0.00 0.00 178.00 176.64 1pun n GLU 47 N -3.63 0.46 0.00 0.86 1.02 -1.26 -4.47 120.64 113.62 1pun n GLU 47 Ca 0.25 0.20 0.07 0.00 -0.02 0.00 0.00 57.16 57.66 1pun n GLU 47 Cb 1.43 -1.27 0.36 0.00 -0.02 0.00 0.00 31.44 31.94 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 0.24 0.05 3.49 1.13 -0.80 -1.58 117.38 115.91 1pun n GLN 48 Ca -0.41 0.13 -0.22 0.00 -1.94 0.00 0.00 57.00 54.56 1pun n GLN 48 Cb 0.78 -1.50 -0.15 0.00 0.11 0.00 0.00 30.24 29.48 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 2.69 0.10 0.23 -1.58 0.00 -0.22 -3.30 119.26 117.18 1pun h ALA 49 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 54.91 53.54 1pun h ALA 49 Cb 0.11 0.40 0.03 0.00 0.00 0.00 0.00 17.79 18.33 1pun h ALA 49 CO 0.00 0.83 -1.43 -0.24 0.00 0.00 0.00 179.25 178.42 1pun h VAL 50 N -0.11 1.31 -0.93 0.00 3.04 -1.69 -3.25 116.25 114.61 1pun h VAL 50 Ca -0.30 -2.72 0.19 0.00 -1.01 0.00 0.00 66.70 62.86 1pun h VAL 50 Cb 1.92 2.99 -0.08 0.00 -2.01 0.00 0.00 31.29 34.11 1pun h VAL 50 CO 0.14 0.81 0.60 0.58 -1.01 0.00 0.00 177.57 178.69 1pun h VAL 51 N 0.15 0.71 0.00 1.51 2.07 -1.45 1.36 116.25 120.60 1pun h VAL 51 Ca -0.23 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 66.96 1pun h VAL 51 Cb 2.12 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1pun h VAL 51 CO 0.26 0.10 -0.67 0.03 0.02 0.00 0.00 177.57 177.31 1pun h ARG 52 N 0.54 0.00 0.17 1.57 2.47 -1.65 -3.15 114.38 114.33 1pun h ARG 52 Ca 0.49 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.91 1pun h ARG 52 Cb 1.04 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.38 1pun h ARG 52 CO -0.23 0.67 -1.31 0.93 0.56 0.00 0.00 179.97 180.60 1pun h GLU 53 N 0.00 0.45 -0.65 0.04 3.07 -0.57 -2.96 114.58 113.97 1pun h GLU 53 Ca -0.01 -0.71 0.14 0.00 -0.50 0.00 0.00 59.36 58.29 1pun h GLU 53 Cb 1.36 0.25 -0.12 0.00 -0.84 0.00 0.00 28.75 29.41 1pun h GLU 53 CO 0.09 1.32 -0.05 1.25 -1.40 0.00 0.00 179.01 180.22 1pun h LEU 54 N 0.15 -0.39 -0.61 1.33 5.85 0.16 1.85 115.31 123.66 1pun h LEU 54 Ca -0.19 0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1pun h LEU 54 Cb 2.01 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 43.35 1pun h LEU 54 CO 0.24 -0.16 -0.51 -0.61 -0.34 0.00 0.00 178.44 177.06 1pun h GLN 55 N 0.07 0.00 -0.00 1.25 4.15 -1.65 0.59 115.11 119.52 1pun h GLN 55 Ca 0.34 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.60 1pun h GLN 55 Cb 0.55 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1pun h GLN 55 CO -0.60 0.51 -0.77 1.49 -1.93 0.00 0.00 178.83 177.53 1pun h GLU 56 N 0.00 0.00 -0.26 1.69 4.22 0.32 0.53 114.58 121.09 1pun h GLU 56 Ca -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1pun h GLU 56 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1pun h GLU 56 CO 0.07 0.77 0.00 0.39 -2.18 0.00 0.00 179.01 178.06 1pun n GLU 57 N -3.63 2.05 0.00 1.92 4.71 0.57 0.15 120.64 126.42 1pun n GLU 57 Ca -0.01 -1.82 0.00 0.00 -0.01 0.00 0.00 57.16 55.33 1pun n GLU 57 Cb 0.74 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.88 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 0.73 0.00 0.00 2.62 0.31 0.19 -4.04 118.33 118.15 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 0.41 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 0.67 2.21 2.92 0.00 0.19 0.14 105.19 113.37 1pun n GLY 59 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.68 -0.61 -5.35 -1.26 -4.85 119.36 103.61 1pun n ILE 60 Ca 0.00 -0.50 -0.37 0.00 -0.27 0.00 0.00 62.75 61.61 1pun n ILE 60 Cb 0.00 -1.57 -0.09 0.00 -1.74 0.00 0.00 39.64 36.24 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 -2.57 3.94 0.04 7.28 -4.23 -1.26 -4.88 115.64 113.96 1pun s THR 61 Ca 0.43 -3.07 0.02 0.00 -1.18 0.00 0.00 61.69 57.90 1pun s THR 61 Cb -0.02 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 1pun s THR 61 CO 0.31 -0.92 0.03 -2.16 -0.54 0.00 0.00 174.62 171.34 1pun s PRO 62 N -0.24 2.79 -1.24 3.99 0.04 -1.26 -3.11 135.00 135.96 1pun s PRO 62 Ca 0.19 -0.67 -0.20 0.00 0.04 0.00 0.00 61.00 60.35 1pun s PRO 62 Cb -0.18 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 1pun s PRO 62 CO -0.05 0.59 1.84 1.04 0.04 0.00 0.00 177.00 180.47 1pun n GLN 63 N 0.93 2.38 -4.89 4.56 6.02 0.15 -4.86 117.38 121.67 1pun n GLN 63 Ca -0.12 -2.85 -0.32 0.00 -0.01 0.00 0.00 57.00 53.69 1pun n GLN 63 Cb 0.52 -3.61 -0.16 0.00 1.02 0.00 0.00 30.24 28.01 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 7.68 2.64 -1.02 1.08 2.46 -1.25 0.04 115.29 126.92 1pun s HIS 64 Ca 0.61 -1.15 0.00 0.00 0.47 0.00 0.00 55.06 54.99 1pun s HIS 64 Cb 0.02 -1.78 0.00 0.00 -0.13 0.00 0.00 32.58 30.69 1pun s HIS 64 CO 0.11 -0.49 0.00 0.34 -2.47 0.00 0.00 174.74 172.22 1pun n PHE 65 N 3.81 0.00 -2.50 3.88 7.35 -1.25 -4.93 117.46 123.82 1pun n PHE 65 Ca -0.19 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.46 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 0.61 -2.32 -4.68 -2.13 7.64 -1.26 -2.99 113.62 108.50 1pun n SER 66 Ca 0.00 1.22 -0.46 0.00 1.01 0.00 0.00 58.87 60.64 1pun n SER 66 Cb 0.00 -4.83 -0.04 0.00 -1.01 0.00 0.00 64.21 58.33 1pun n SER 66 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pun n LEU 67 N 1.28 3.53 0.06 -3.43 -0.00 -1.26 0.17 117.00 117.35 1pun n LEU 67 Ca -0.28 0.99 -0.14 0.00 -0.00 0.00 0.00 56.01 56.58 1pun n LEU 67 Cb 0.43 -1.42 -0.05 0.00 -0.00 0.00 0.00 43.42 42.39 1pun n LEU 67 CO 0.37 -0.04 0.18 0.15 -0.00 0.00 0.00 177.39 178.05 1pun h PHE 68 N 8.65 0.64 -1.83 1.47 3.04 -0.63 -3.42 116.94 124.86 1pun h PHE 68 Ca -0.48 -0.35 0.20 0.00 3.98 0.00 0.00 57.97 61.33 1pun h PHE 68 Cb 1.26 -0.07 -0.16 0.00 2.56 0.00 0.00 35.95 39.53 1pun h PHE 68 CO 0.83 1.17 0.67 -2.00 -2.02 0.00 0.00 178.31 176.96 1pun s GLU 69 N -3.29 0.56 -0.06 1.11 2.12 -1.03 -4.98 118.70 113.12 1pun s GLU 69 Ca -0.06 -0.22 -0.03 0.00 0.36 0.00 0.00 54.97 55.01 1pun s GLU 69 Cb 0.09 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.76 1pun s GLU 69 CO 0.87 -0.25 0.15 -1.59 -0.54 0.00 0.00 175.26 173.90 1pun s LYS 70 N -2.74 0.11 -0.33 4.30 0.00 -1.26 0.19 119.74 120.01 1pun s LYS 70 Ca 0.08 0.34 -0.16 0.00 0.00 0.00 0.00 55.97 56.24 1pun s LYS 70 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 37.83 37.68 1pun s LYS 70 CO -0.06 -0.14 0.39 -1.17 0.00 0.00 0.00 175.35 174.37 1pun s LEU 71 N 0.96 4.37 -0.32 2.77 1.98 0.59 -4.92 118.68 124.10 1pun s LEU 71 Ca -0.07 -0.13 -0.02 0.00 -2.89 0.00 0.00 54.13 51.02 1pun s LEU 71 Cb -0.09 -2.39 0.06 0.00 0.66 0.00 0.00 46.19 44.43 1pun s LEU 71 CO -0.05 -0.34 0.04 -0.70 -1.89 0.00 0.00 176.35 173.41 1pun s GLU 72 N 2.08 2.36 -0.06 1.98 2.12 -1.26 -0.61 118.70 125.31 1pun s GLU 72 Ca 0.13 -1.36 -0.02 0.00 0.36 0.00 0.00 54.97 54.08 1pun s GLU 72 Cb -0.16 -3.27 0.04 0.00 0.26 0.00 0.00 34.13 31.00 1pun s GLU 72 CO 0.12 -0.70 0.13 -0.47 -0.54 0.00 0.00 175.26 173.79 1pun s TYR 73 N 1.24 -0.13 -0.21 5.30 6.14 -1.11 -5.08 117.35 123.50 1pun s TYR 73 Ca -0.02 0.44 -0.03 0.00 0.64 0.00 0.00 57.07 58.09 1pun s TYR 73 Cb -0.20 -0.16 -0.01 0.00 0.42 0.00 0.00 41.96 42.01 1pun s TYR 73 CO -0.01 -0.17 -0.06 -1.83 0.64 0.00 0.00 175.55 174.12 1pun s GLU 74 N 1.40 3.37 0.45 4.97 -1.05 -1.26 -1.32 118.70 125.26 1pun s GLU 74 Ca -0.06 -0.63 -0.01 0.00 -0.15 0.00 0.00 54.97 54.11 1pun s GLU 74 Cb -0.12 -2.96 -0.01 0.00 -0.44 0.00 0.00 34.13 30.60 1pun s GLU 74 CO -0.05 -0.16 0.69 -0.06 0.95 0.00 0.00 175.26 176.63 1pun s PHE 75 N 1.36 3.30 -0.10 4.83 0.08 -0.18 -4.87 117.98 122.41 1pun s PHE 75 Ca 0.04 0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.44 1pun s PHE 75 Cb -0.14 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 1pun s PHE 75 CO -0.03 -0.32 0.85 -2.30 -0.10 0.00 0.00 175.22 173.32 1pun n PRO 76 N -2.11 0.00 0.00 0.24 -0.01 -1.26 -1.29 135.00 130.57 1pun n PRO 76 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.50 1pun n PRO 76 Cb 0.57 -0.74 0.00 0.00 -0.01 0.00 0.00 33.50 33.32 1pun n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 1pun n ASP 77 N 3.42 0.00 -4.54 2.55 8.00 -1.26 -4.94 116.55 119.78 1pun n ASP 77 Ca 0.07 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.14 1pun n ASP 77 Cb 0.33 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 1pun n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1pun s ARG 78 N 0.00 3.42 0.17 -1.24 6.06 -0.41 -2.13 118.95 124.81 1pun s ARG 78 Ca 0.00 -0.08 0.01 0.00 -2.50 0.00 0.00 55.73 53.17 1pun s ARG 78 Cb 0.00 -4.00 -0.04 0.00 0.06 0.00 0.00 34.95 30.97 1pun s ARG 78 CO 0.00 -1.38 0.33 -1.01 -2.50 0.00 0.00 175.30 170.74 1pun s HIS 79 N 3.88 3.48 -0.01 5.12 3.76 0.16 -1.01 115.29 130.68 1pun s HIS 79 Ca 0.33 0.20 0.04 0.00 -0.15 0.00 0.00 55.06 55.48 1pun s HIS 79 Cb -0.11 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 1pun s HIS 79 CO 0.22 0.46 -0.12 -1.50 -0.85 0.00 0.00 174.74 172.96 1pun s ILE 80 N -1.80 0.93 -0.09 0.60 2.07 -0.44 -0.37 121.20 122.11 1pun s ILE 80 Ca 0.36 -0.53 -0.01 0.00 -1.41 0.00 0.00 60.65 59.06 1pun s ILE 80 Cb -0.11 -0.78 0.03 0.00 0.13 0.00 0.00 42.46 41.72 1pun s ILE 80 CO 0.29 0.25 -0.03 0.42 -1.91 0.00 0.00 174.94 173.95 1pun s THR 81 N -0.31 0.65 -0.25 4.00 -4.23 -0.09 -2.76 115.64 112.65 1pun s THR 81 Ca 0.04 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.51 1pun s THR 81 Cb -0.05 -0.75 0.04 0.00 1.34 0.00 0.00 72.50 73.09 1pun s THR 81 CO -0.00 0.30 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.52 1pun s LEU 82 N 1.84 3.18 -0.24 4.79 1.43 0.22 0.36 118.68 130.26 1pun s LEU 82 Ca 0.05 -1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 51.98 1pun s LEU 82 Cb -0.12 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1pun s LEU 82 CO -0.06 -0.14 0.12 0.26 0.23 0.00 0.00 176.35 176.75 1pun s TRP 83 N 1.22 3.19 -0.18 0.29 0.52 0.84 0.22 118.94 125.04 1pun s TRP 83 Ca -0.03 -0.08 -0.08 0.00 0.02 0.00 0.00 56.10 55.93 1pun s TRP 83 Cb -0.18 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 1pun s TRP 83 CO -0.06 -0.15 0.09 -0.06 0.02 0.00 0.00 176.95 176.79 1pun s PHE 84 N 1.35 3.33 -0.15 -1.98 0.40 0.51 0.18 117.98 121.62 1pun s PHE 84 Ca 0.06 0.20 -0.03 0.00 -0.60 0.00 0.00 56.93 56.56 1pun s PHE 84 Cb -0.15 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 1pun s PHE 84 CO 0.05 0.25 -0.06 -1.58 0.70 0.00 0.00 175.22 174.58 1pun s TRP 85 N 0.22 2.97 -0.71 0.36 0.52 0.20 0.05 118.94 122.54 1pun s TRP 85 Ca 0.06 -0.38 -0.21 0.00 0.02 0.00 0.00 56.10 55.59 1pun s TRP 85 Cb -0.12 -1.92 0.09 0.00 -1.15 0.00 0.00 33.47 30.37 1pun s TRP 85 CO -0.00 -0.07 0.97 -1.17 0.02 0.00 0.00 176.95 176.69 1pun s LEU 86 N 0.33 4.68 0.46 2.99 2.96 0.45 -2.62 118.68 127.94 1pun s LEU 86 Ca -0.06 -1.30 -0.22 0.00 -0.22 0.00 0.00 54.13 52.33 1pun s LEU 86 Cb -0.15 -2.40 -0.08 0.00 0.50 0.00 0.00 46.19 44.07 1pun s LEU 86 CO 0.04 -1.31 1.11 -0.69 -1.32 0.00 0.00 176.35 174.18 1pun s VAL 87 N 3.56 3.36 -0.06 1.68 1.01 -0.92 -3.87 120.40 125.15 1pun s VAL 87 Ca 0.23 0.98 0.08 0.00 0.00 0.00 0.00 61.98 63.27 1pun s VAL 87 Cb -0.15 -3.48 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 1pun s VAL 87 CO 0.05 -0.05 0.08 -0.62 0.00 0.00 0.00 175.10 174.55 1pun n GLU 88 N -0.54 1.98 -3.65 2.72 -0.58 0.70 -3.35 120.64 117.92 1pun n GLU 88 Ca 0.07 -0.03 -0.07 0.00 -0.42 0.00 0.00 57.16 56.72 1pun n GLU 88 Cb 0.49 -1.20 -0.02 0.00 -0.57 0.00 0.00 31.44 30.14 1pun n GLU 88 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1pun s ARG 89 N -2.31 1.20 -0.18 3.49 1.70 0.11 -4.23 118.95 118.73 1pun s ARG 89 Ca -0.04 -0.59 -0.07 0.00 -0.47 0.00 0.00 55.73 54.57 1pun s ARG 89 Cb 0.03 0.46 0.08 0.00 -0.57 0.00 0.00 34.95 34.95 1pun s ARG 89 CO 0.33 -0.54 0.39 1.67 -1.08 0.00 0.00 175.30 176.07 1pun s TRP 90 N -3.42 -0.68 0.63 5.89 -2.14 -1.23 0.34 118.94 118.34 1pun s TRP 90 Ca 0.08 1.36 -0.12 0.00 2.66 0.00 0.00 56.10 60.08 1pun s TRP 90 Cb -0.02 0.24 -0.03 0.00 -3.10 0.00 0.00 33.47 30.56 1pun s TRP 90 CO -0.02 -0.42 1.04 -1.21 -2.66 0.00 0.00 176.95 173.67 1pun s GLU 91 N 2.23 3.39 4.53 3.25 2.02 -1.18 -4.79 118.70 128.15 1pun s GLU 91 Ca -0.03 0.90 0.00 0.00 0.02 0.00 0.00 54.97 55.85 1pun s GLU 91 Cb -0.11 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1pun s GLU 91 CO -0.12 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 174.84 1pun n GLY 92 N -2.14 2.87 3.02 -1.39 0.00 -1.26 -4.53 105.19 101.75 1pun n GLY 92 Ca 0.07 0.31 -0.16 0.00 0.00 0.00 0.00 46.02 46.23 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 0.58 0.01 1.61 2.02 -1.26 -5.13 118.70 116.53 1pun s GLU 93 Ca 0.00 -0.41 -0.30 0.00 0.02 0.00 0.00 54.97 54.28 1pun s GLU 93 Cb 0.00 -0.52 -0.04 0.00 0.10 0.00 0.00 34.13 33.67 1pun s GLU 93 CO 0.00 0.13 1.13 -2.14 0.02 0.00 0.00 175.26 174.40 1pun s PRO 94 N -0.57 4.45 0.21 0.39 0.02 -1.26 -4.58 135.00 133.66 1pun s PRO 94 Ca -0.00 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1pun s PRO 94 Cb -0.05 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1pun s PRO 94 CO 0.00 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.77 1pun n TRP 95 N 4.21 -1.87 0.00 6.54 4.27 0.33 -4.94 117.44 125.98 1pun n TRP 95 Ca 0.08 0.33 0.00 0.00 -3.89 0.00 0.00 57.50 54.03 1pun n TRP 95 Cb 0.48 0.56 0.00 0.00 -1.36 0.00 0.00 31.31 30.98 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 1.56 1.43 0.00 -1.67 0.00 0.36 -4.06 105.19 102.82 1pun n GLY 96 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.36 1.61 3.00 0.41 -4.70 118.16 118.11 1pun n LYS 97 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 1pun n LYS 97 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.21 1pun n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1pun h GLU 98 N 0.00 1.10 0.00 1.64 4.11 -1.70 -3.44 114.58 116.29 1pun h GLU 98 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 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 0.73 0.00 0.41 0.07 0.00 0.00 179.01 180.22 1pun n GLY 99 N -1.36 1.19 2.70 1.06 0.00 -1.26 -4.98 105.19 102.53 1pun n GLY 99 Ca 0.16 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.07 0.42 1.61 -0.21 -1.26 -5.11 119.66 115.04 1pun s GLN 100 Ca 0.00 0.35 -0.22 0.00 0.02 0.00 0.00 55.36 55.51 1pun s GLN 100 Cb 0.00 -0.45 -0.14 0.00 1.00 0.00 0.00 33.01 33.42 1pun s GLN 100 CO 0.00 -0.30 0.37 -2.30 -2.12 0.00 0.00 175.29 170.94 1pun n PRO 101 N 5.09 0.34 -4.40 2.91 -0.02 -1.26 -4.53 135.00 133.13 1pun n PRO 101 Ca -0.08 0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.31 1pun n PRO 101 Cb 0.50 -1.32 -0.08 0.00 -0.02 0.00 0.00 33.50 32.58 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 2.38 0.08 -1.23 0.00 -1.26 -4.10 107.32 102.21 1pun s GLY 102 Ca 0.62 -1.61 0.09 0.00 0.00 0.00 0.00 44.72 43.82 1pun s GLY 102 CO 0.60 -1.67 -0.23 -0.54 0.00 0.00 0.00 173.10 171.26 1pun s GLU 103 N -3.68 1.38 -0.31 2.90 2.02 -1.25 -4.89 118.70 114.87 1pun s GLU 103 Ca 0.32 -1.12 -0.28 0.00 0.02 0.00 0.00 54.97 53.91 1pun s GLU 103 Cb 0.03 -1.63 -0.06 0.00 0.10 0.00 0.00 34.13 32.57 1pun s GLU 103 CO 0.19 0.40 2.28 -2.67 0.02 0.00 0.00 175.26 175.48 1pun n TRP 104 N 1.43 1.77 -4.44 1.61 4.27 -1.26 -3.32 117.44 117.49 1pun n TRP 104 Ca -0.18 -0.02 -0.29 0.00 -3.89 0.00 0.00 57.50 53.12 1pun n TRP 104 Cb 0.53 -2.68 -0.13 0.00 -1.36 0.00 0.00 31.31 27.67 1pun n TRP 104 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1pun s MET 105 N 6.89 1.43 -0.17 -2.67 0.23 -1.09 -4.79 119.30 119.13 1pun s MET 105 Ca 1.02 -1.32 -0.29 0.00 -1.03 0.00 0.00 55.69 54.07 1pun s MET 105 Cb -0.36 -1.90 -0.04 0.00 -1.53 0.00 0.00 34.83 31.00 1pun s MET 105 CO 0.34 0.45 1.85 0.45 -2.03 0.00 0.00 175.02 176.09 1pun s SER 106 N -1.97 6.14 0.49 -1.18 0.15 -1.26 0.11 113.70 116.17 1pun s SER 106 Ca 0.14 1.89 0.33 0.00 0.70 0.00 0.00 55.95 59.00 1pun s SER 106 Cb -0.10 -2.53 1.47 0.00 -1.71 0.00 0.00 66.02 63.16 1pun s SER 106 CO 0.06 -1.42 1.97 0.25 1.20 0.00 0.00 173.24 175.30 1pun h LEU 107 N 12.42 0.00 -1.35 3.45 7.12 -1.85 -3.07 115.31 132.03 1pun h LEU 107 Ca -0.39 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.62 1pun h LEU 107 Cb 1.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.32 1pun h LEU 107 CO 0.98 0.00 0.33 0.58 -0.13 0.00 0.00 178.44 180.20 1pun h VAL 108 N 0.00 0.00 -1.30 1.05 2.07 -1.90 -2.51 116.25 113.66 1pun h VAL 108 Ca 0.00 0.00 -0.40 0.00 0.82 0.00 0.00 66.70 67.12 1pun h VAL 108 Cb 0.33 0.45 -0.39 0.00 -1.52 0.00 0.00 31.29 30.17 1pun h VAL 108 CO 0.00 0.00 -1.16 0.61 0.02 0.00 0.00 177.57 177.04 1pun n GLY 109 N -1.26 2.24 3.74 2.17 0.00 -1.16 -5.12 105.19 105.80 1pun n GLY 109 Ca -0.01 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.86 3.58 -0.44 0.99 0.20 -0.95 -4.99 118.68 114.21 1pun s LEU 110 Ca 0.31 2.50 -0.06 0.00 0.69 0.00 0.00 54.13 57.58 1pun s LEU 110 Cb 0.42 -4.61 0.11 0.00 -0.43 0.00 0.00 46.19 41.68 1pun s LEU 110 CO -0.01 -1.88 0.27 0.20 -0.29 0.00 0.00 176.35 174.64 1pun s ASN 111 N -1.54 5.46 0.31 3.68 0.02 -1.26 -4.91 114.94 116.70 1pun s ASN 111 Ca 0.80 -1.97 0.26 0.00 -1.02 0.00 0.00 52.86 50.92 1pun s ASN 111 Cb -0.34 -1.91 0.99 0.00 0.02 0.00 0.00 41.25 40.01 1pun s ASN 111 CO 0.38 -0.61 1.77 0.00 0.02 0.00 0.00 177.10 178.65 1pun h ALA 112 N 8.24 1.00 0.11 0.60 0.00 -1.92 -2.86 119.26 124.42 1pun h ALA 112 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 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 0.77 0.00 -1.20 0.38 0.00 0.00 0.00 179.25 179.21 1pun h ASP 113 N 0.00 0.51 -0.23 0.00 3.04 -1.97 -3.24 116.42 114.54 1pun h ASP 113 Ca 0.00 -0.51 0.00 0.00 -3.24 0.00 0.00 57.03 53.28 1pun h ASP 113 Cb 0.49 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.61 1pun h ASP 113 CO 0.00 1.37 0.00 0.47 -2.04 0.00 0.00 179.24 179.04 1pun n ASP 114 N -3.62 1.74 -4.58 4.15 8.00 -1.09 -4.90 116.55 116.25 1pun n ASP 114 Ca -0.09 -1.80 -0.26 0.00 0.71 0.00 0.00 54.79 53.35 1pun n ASP 114 Cb 0.99 -0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 41.84 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 -1.70 2.45 0.10 1.24 -0.71 -1.14 -1.63 117.98 116.59 1pun s PHE 115 Ca 0.30 -0.51 -0.34 0.00 -1.04 0.00 0.00 56.93 55.33 1pun s PHE 115 Cb 0.16 -1.47 -0.14 0.00 -1.21 0.00 0.00 43.02 40.36 1pun s PHE 115 CO 0.23 0.54 1.61 -0.35 -1.34 0.00 0.00 175.22 175.91 1pun n PRO 116 N -0.86 2.03 0.22 1.99 -0.04 -0.88 -4.84 135.00 132.63 1pun n PRO 116 Ca -0.05 0.74 0.15 0.00 -0.04 0.00 0.00 63.50 64.30 1pun n PRO 116 Cb 0.64 -2.50 0.75 0.00 -0.04 0.00 0.00 33.50 32.35 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 6.42 0.00 0.00 0.54 0.13 -1.88 -2.33 132.00 134.87 1pun h PRO 117 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1pun h PRO 117 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1pun h PRO 117 CO 0.89 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 178.57 1pun h ALA 118 N 2.06 1.47 -0.02 -0.56 0.00 -1.98 -1.74 119.26 118.49 1pun h ALA 118 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pun h ALA 118 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pun h ALA 118 CO 0.00 0.11 -0.19 -1.71 0.00 0.00 0.00 179.25 177.47 1pun n ASN 119 N -3.88 2.11 -0.08 0.00 5.15 -0.88 -4.52 115.26 113.16 1pun n ASN 119 Ca -0.02 -1.55 0.09 0.00 -0.60 0.00 0.00 54.58 52.49 1pun n ASN 119 Cb 0.18 0.24 0.45 0.00 -0.53 0.00 0.00 39.78 40.13 1pun n ASN 119 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1pun h GLU 120 N 2.74 0.50 -0.75 1.20 4.11 -1.32 -3.00 114.58 118.06 1pun h GLU 120 Ca 0.00 -0.03 0.15 0.00 0.07 0.00 0.00 59.36 59.55 1pun h GLU 120 Cb 0.67 -0.11 -0.14 0.00 0.50 0.00 0.00 28.75 29.67 1pun h GLU 120 CO 0.00 0.33 -0.22 -1.35 0.07 0.00 0.00 179.01 177.84 1pun h PRO 121 N 0.52 -0.02 0.02 1.06 0.11 -1.79 1.73 132.00 133.62 1pun h PRO 121 Ca 0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 1pun h PRO 121 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1pun h PRO 121 CO -0.07 -0.01 -0.01 0.28 -0.21 0.00 0.00 178.00 177.97 1pun h VAL 122 N -0.02 1.20 -0.07 3.15 2.07 -1.89 -3.31 116.25 117.37 1pun h VAL 122 Ca 0.35 -1.79 0.02 0.00 0.82 0.00 0.00 66.70 66.10 1pun h VAL 122 Cb 0.56 2.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1pun h VAL 122 CO -0.78 0.39 0.06 0.40 0.02 0.00 0.00 177.57 177.66 1pun h ILE 123 N -0.96 0.83 -0.15 4.57 1.08 -1.37 -1.93 117.51 119.59 1pun h ILE 123 Ca -0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 1pun h ILE 123 Cb 0.66 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.33 1pun h ILE 123 CO 0.01 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.35 1pun h ALA 124 N 1.95 0.00 -0.41 1.87 0.00 0.25 1.98 119.26 124.90 1pun h ALA 124 Ca 0.03 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1pun h ALA 124 Cb 0.15 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1pun h ALA 124 CO -0.00 -0.55 0.05 -0.22 0.00 0.00 0.00 179.25 178.53 1pun h LYS 125 N -0.12 0.17 0.00 0.00 3.64 -1.44 0.36 116.57 119.17 1pun h LYS 125 Ca 0.09 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1pun h LYS 125 Cb 0.25 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1pun h LYS 125 CO -0.22 0.11 -0.00 1.25 -2.27 0.00 0.00 179.45 178.32 1pun h LEU 126 N 0.17 -0.00 -1.01 5.20 5.85 -1.46 -3.33 115.31 120.74 1pun h LEU 126 Ca 0.20 -0.90 0.18 0.00 0.84 0.00 0.00 57.88 58.20 1pun h LEU 126 Cb 0.26 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.19 1pun h LEU 126 CO -0.29 0.91 0.61 0.50 -0.34 0.00 0.00 178.44 179.83 1pun h LYS 127 N -0.92 0.77 0.00 1.25 3.64 0.32 1.23 116.57 122.87 1pun h LYS 127 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1pun h LYS 127 Cb 0.91 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1pun h LYS 127 CO 0.00 0.51 0.00 -2.13 -2.27 0.00 0.00 179.45 175.56 1pun n ARG 128 N -4.75 0.06 -0.10 1.90 0.63 0.12 -5.04 116.66 109.49 1pun n ARG 128 Ca 0.23 0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 1pun n ARG 128 Cb 0.55 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.96 1pun n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40