#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 2.69 0.08 0.03 2.47 -1.18 -5.08 119.74 118.75 1pun s LYS 2 Ca 0.00 -1.12 0.01 0.00 -1.56 0.00 0.00 55.97 53.30 1pun s LYS 2 Cb 0.00 -3.40 -0.04 0.00 -1.46 0.00 0.00 37.83 32.93 1pun s LYS 2 CO 0.00 -0.61 -0.06 0.21 0.16 0.00 0.00 175.35 175.04 1pun s LYS 3 N 1.40 0.75 -0.13 4.03 2.20 -1.26 0.05 119.74 126.79 1pun s LYS 3 Ca -0.01 -1.22 -0.05 0.00 -0.36 0.00 0.00 55.97 54.33 1pun s LYS 3 Cb -0.19 -0.16 0.06 0.00 -1.51 0.00 0.00 37.83 36.03 1pun s LYS 3 CO 0.02 -0.02 0.26 -0.48 -0.36 0.00 0.00 175.35 174.77 1pun s LEU 4 N -2.78 -0.23 0.09 5.43 0.05 0.95 -4.88 118.68 117.31 1pun s LEU 4 Ca 0.07 0.59 0.02 0.00 0.05 0.00 0.00 54.13 54.87 1pun s LEU 4 Cb 0.03 0.71 -0.04 0.00 -2.05 0.00 0.00 46.19 44.84 1pun s LEU 4 CO -0.05 -0.23 0.15 -1.10 -0.55 0.00 0.00 176.35 174.58 1pun s GLN 5 N 2.30 3.14 -0.09 1.48 -0.21 -1.26 -0.26 119.66 124.76 1pun s GLN 5 Ca 0.00 -0.61 -0.09 0.00 0.02 0.00 0.00 55.36 54.67 1pun s GLN 5 Cb -0.12 -2.85 0.03 0.00 1.00 0.00 0.00 33.01 31.06 1pun s GLN 5 CO -0.09 0.57 0.26 0.42 -2.12 0.00 0.00 175.29 174.33 1pun s ILE 6 N -1.52 0.00 0.07 1.08 1.09 0.28 -3.98 121.20 118.24 1pun s ILE 6 Ca 0.32 -0.03 0.08 0.00 -1.10 0.00 0.00 60.65 59.91 1pun s ILE 6 Cb -0.12 -0.38 -0.03 0.00 -1.06 0.00 0.00 42.46 40.87 1pun s ILE 6 CO 0.25 -0.02 -0.20 0.00 -0.10 0.00 0.00 174.94 174.87 1pun s ALA 7 N 0.05 1.75 0.05 9.38 0.00 -1.24 0.63 121.76 132.38 1pun s ALA 7 Ca -0.01 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 1pun s ALA 7 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1pun s ALA 7 CO 0.01 0.37 0.12 0.54 0.00 0.00 0.00 175.76 176.79 1pun s VAL 8 N -0.98 0.14 -0.12 0.00 0.11 0.51 -3.73 120.40 116.32 1pun s VAL 8 Ca 0.07 -1.13 -0.15 0.00 -2.93 0.00 0.00 61.98 57.84 1pun s VAL 8 Cb -0.09 -1.02 0.04 0.00 -1.53 0.00 0.00 36.38 33.78 1pun s VAL 8 CO 0.03 -0.62 0.39 -0.83 -3.33 0.00 0.00 175.10 170.74 1pun s GLY 9 N -2.30 -0.28 -0.21 6.54 0.00 -0.63 0.15 107.32 110.59 1pun s GLY 9 Ca -0.02 0.98 -0.07 0.00 0.00 0.00 0.00 44.72 45.61 1pun s GLY 9 CO -0.06 0.81 0.04 -0.26 0.00 0.00 0.00 173.10 173.64 1pun s ILE 10 N -0.12 4.34 -0.41 0.90 -5.25 -1.23 -3.17 121.20 116.27 1pun s ILE 10 Ca -0.03 -0.18 -0.25 0.00 -0.99 0.00 0.00 60.65 59.20 1pun s ILE 10 Cb -0.03 -2.98 0.02 0.00 2.95 0.00 0.00 42.46 42.41 1pun s ILE 10 CO 0.02 0.40 0.89 -0.63 -1.79 0.00 0.00 174.94 173.83 1pun s ILE 11 N 1.01 4.57 -0.39 8.37 1.09 -1.26 -2.99 121.20 131.61 1pun s ILE 11 Ca 0.03 0.91 -0.29 0.00 -1.10 0.00 0.00 60.65 60.20 1pun s ILE 11 Cb -0.14 -4.35 0.02 0.00 -1.06 0.00 0.00 42.46 36.93 1pun s ILE 11 CO 0.03 -0.65 1.11 -0.13 -0.10 0.00 0.00 174.94 175.19 1pun s ARG 12 N 3.51 3.92 0.93 2.79 1.81 -1.25 -3.38 118.95 127.28 1pun s ARG 12 Ca 0.36 0.86 -0.14 0.00 -1.72 0.00 0.00 55.73 55.09 1pun s ARG 12 Cb -0.11 -3.81 0.15 0.00 -0.45 0.00 0.00 34.95 30.73 1pun s ARG 12 CO 0.22 -1.11 1.18 1.21 -0.68 0.00 0.00 175.30 176.12 1pun s ASN 13 N 2.02 3.38 0.14 0.23 2.47 -0.93 -3.12 114.94 119.13 1pun s ASN 13 Ca 0.47 0.73 -0.19 0.00 0.42 0.00 0.00 52.86 54.29 1pun s ASN 13 Cb -0.10 -1.14 0.01 0.00 -1.45 0.00 0.00 41.25 38.57 1pun s ASN 13 CO 0.23 -2.61 1.71 -0.08 -3.72 0.00 0.00 177.10 172.62 1pun h GLU 14 N -1.54 0.05 0.00 0.43 4.81 -1.92 -1.60 114.58 114.80 1pun h GLU 14 Ca -0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1pun h GLU 14 Cb 1.31 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1pun h GLU 14 CO 0.55 0.03 0.00 -1.71 -0.73 0.00 0.00 179.01 177.15 1pun n ASN 15 N -5.18 0.56 0.00 1.04 5.15 -1.26 -4.86 115.26 110.71 1pun n ASN 15 Ca -0.01 0.61 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 1pun n ASN 15 Cb 0.14 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 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 -2.09 -0.65 -4.42 1.20 2.85 -0.60 -5.08 115.26 106.47 1pun n ASN 16 Ca 0.03 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.17 1pun n ASN 16 Cb 0.26 -0.11 -0.14 0.00 1.24 0.00 0.00 39.78 41.04 1pun n ASN 16 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1pun s GLU 17 N -0.50 3.07 -0.21 1.20 -1.05 -1.26 -4.62 118.70 115.34 1pun s GLU 17 Ca 0.00 -0.68 -0.08 0.00 -0.15 0.00 0.00 54.97 54.06 1pun s GLU 17 Cb 0.00 -2.55 -0.04 0.00 -0.44 0.00 0.00 34.13 31.10 1pun s GLU 17 CO 0.00 0.37 0.09 0.42 0.95 0.00 0.00 175.26 177.08 1pun s ILE 18 N -0.05 4.81 -0.44 1.83 1.01 0.50 -2.18 121.20 126.68 1pun s ILE 18 Ca -0.03 -0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.34 1pun s ILE 18 Cb -0.14 -3.20 -0.06 0.00 0.01 0.00 0.00 42.46 39.06 1pun s ILE 18 CO 0.04 0.41 2.35 0.12 0.00 0.00 0.00 174.94 177.86 1pun s PHE 19 N 0.80 1.11 -0.19 3.97 5.36 -1.22 -2.24 117.98 125.57 1pun s PHE 19 Ca 0.04 1.34 -0.05 0.00 -0.96 0.00 0.00 56.93 57.31 1pun s PHE 19 Cb -0.13 -3.67 -0.03 0.00 -0.34 0.00 0.00 43.02 38.85 1pun s PHE 19 CO 0.02 -2.83 0.00 0.96 -1.46 0.00 0.00 175.22 171.92 1pun s ILE 20 N 11.34 4.08 -0.31 3.12 -4.36 -1.20 -4.62 121.20 129.26 1pun s ILE 20 Ca 0.97 -0.28 -0.29 0.00 -0.26 0.00 0.00 60.65 60.80 1pun s ILE 20 Cb -0.20 -2.83 -0.01 0.00 1.25 0.00 0.00 42.46 40.66 1pun s ILE 20 CO 0.28 0.44 1.64 0.28 0.24 0.00 0.00 174.94 177.82 1pun s THR 21 N 0.77 3.66 -0.19 8.37 -1.32 -1.07 -4.24 115.64 121.62 1pun s THR 21 Ca 0.00 0.69 0.01 0.00 -1.21 0.00 0.00 61.69 61.19 1pun s THR 21 Cb -0.14 -3.80 0.03 0.00 -1.51 0.00 0.00 72.50 67.08 1pun s THR 21 CO 0.02 -0.45 -0.18 -0.60 -2.21 0.00 0.00 174.62 171.20 1pun s ARG 22 N 5.14 2.78 -0.82 7.08 3.00 -1.26 -2.63 118.95 132.24 1pun s ARG 22 Ca 0.73 -0.90 0.00 0.00 -1.00 0.00 0.00 55.73 54.55 1pun s ARG 22 Cb -0.21 -2.59 0.00 0.00 0.00 0.00 0.00 34.95 32.15 1pun s ARG 22 CO 0.32 -0.28 0.00 0.54 0.00 0.00 0.00 175.30 175.88 1pun n ARG 23 N 4.60 -2.04 -2.11 5.12 1.74 -1.24 -0.53 116.66 122.20 1pun n ARG 23 Ca -0.19 0.46 -0.11 0.00 -0.77 0.00 0.00 57.85 57.23 1pun n ARG 23 Cb 0.48 -4.90 -0.02 0.00 -1.02 0.00 0.00 32.46 27.00 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 -1.56 -0.61 0.00 7.54 0.00 -1.26 -1.87 120.51 122.75 1pun n ALA 24 Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1pun n ALA 24 Cb 0.49 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.49 0.00 -3.69 0.00 0.00 0.32 -4.82 120.51 110.83 1pun n ALA 25 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1pun n ALA 25 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 1pun n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pun s ASP 26 N 0.00 -0.47 0.83 0.00 1.01 -0.78 -5.10 116.67 112.15 1pun s ASP 26 Ca 0.00 0.83 0.00 0.00 0.71 0.00 0.00 52.55 54.09 1pun s ASP 26 Cb 0.00 0.71 0.00 0.00 1.01 0.00 0.00 42.92 44.64 1pun s ASP 26 CO 0.00 -0.19 0.00 0.00 0.21 0.00 0.00 175.17 175.19 1pun n ALA 27 N 4.22 0.00 -0.70 5.23 0.00 -1.25 -5.01 120.51 123.01 1pun n ALA 27 Ca -0.23 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.25 1pun n ALA 27 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 1pun n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pun n HIS 28 N -0.82 -2.14 -1.57 0.00 8.25 -1.26 -4.30 115.22 113.38 1pun n HIS 28 Ca 0.00 0.42 -0.45 0.00 -0.26 0.00 0.00 57.72 57.44 1pun n HIS 28 Cb 0.00 -0.68 -0.04 0.00 1.12 0.00 0.00 29.99 30.40 1pun n HIS 28 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1pun n MET 29 N -1.87 1.79 0.25 -0.41 2.81 -1.26 -4.82 117.12 113.60 1pun n MET 29 Ca 0.00 0.49 0.13 0.00 -1.81 0.00 0.00 57.70 56.51 1pun n MET 29 Cb 0.15 -3.08 0.57 0.00 -0.71 0.00 0.00 33.22 30.16 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 14.48 1.03 -0.80 3.04 0.00 -1.90 -2.87 119.26 132.24 1pun h ALA 30 Ca -0.38 -0.11 -0.43 0.00 0.00 0.00 0.00 54.91 53.99 1pun h ALA 30 Cb 1.26 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.78 1pun h ALA 30 CO 0.97 0.15 0.55 -1.71 0.00 0.00 0.00 179.25 179.21 1pun n ASN 31 N -3.28 4.05 -1.80 0.00 2.85 -1.26 -4.22 115.26 111.60 1pun n ASN 31 Ca 0.00 -3.31 -0.09 0.00 -0.11 0.00 0.00 54.58 51.07 1pun n ASN 31 Cb 0.36 -0.80 0.25 0.00 1.24 0.00 0.00 39.78 40.84 1pun n ASN 31 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1pun n LYS 32 N -0.77 2.96 -0.64 1.20 3.00 -1.08 -1.99 118.16 120.84 1pun n LYS 32 Ca 0.48 -3.07 -0.15 0.00 -0.00 0.00 0.00 58.31 55.58 1pun n LYS 32 Cb 1.34 -2.10 -0.05 0.00 0.00 0.00 0.00 35.03 34.22 1pun n LYS 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1pun n LEU 33 N -0.61 3.93 -4.81 3.14 7.94 -0.76 -4.32 117.00 121.51 1pun n LEU 33 Ca 0.42 -2.45 -0.31 0.00 -1.11 0.00 0.00 56.01 52.56 1pun n LEU 33 Cb 1.35 -0.94 -0.06 0.00 0.53 0.00 0.00 43.42 44.30 1pun n LEU 33 CO 0.41 0.60 -0.17 -0.70 -1.11 0.00 0.00 177.39 176.42 1pun s GLU 34 N 2.83 2.22 0.40 1.96 2.12 -1.08 -4.41 118.70 122.74 1pun s GLU 34 Ca 0.37 -2.31 0.07 0.00 0.36 0.00 0.00 54.97 53.46 1pun s GLU 34 Cb 0.13 -1.68 -0.08 0.00 0.26 0.00 0.00 34.13 32.76 1pun s GLU 34 CO -0.02 -0.45 0.00 -0.06 -0.54 0.00 0.00 175.26 174.20 1pun s PHE 35 N -2.86 2.51 1.06 5.30 0.08 -1.26 -2.58 117.98 120.22 1pun s PHE 35 Ca 0.12 -0.63 -0.23 0.00 0.12 0.00 0.00 56.93 56.31 1pun s PHE 35 Cb 0.00 -1.72 -0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1pun s PHE 35 CO 0.07 0.46 -0.74 -0.35 -0.10 0.00 0.00 175.22 174.56 1pun n PRO 36 N -0.95 -0.78 0.00 0.24 -0.04 -1.19 -4.57 135.00 127.71 1pun n PRO 36 Ca -0.05 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 1pun n PRO 36 Cb 0.66 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 2.74 0.81 2.82 0.55 0.00 -1.25 -1.60 105.19 109.26 1pun n GLY 37 Ca -0.01 -0.82 -0.26 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 -1.64 0.70 0.00 -0.02 0.00 -1.24 -3.65 107.32 101.47 1pun s GLY 38 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1pun s GLY 38 CO 0.00 1.09 0.00 1.17 0.00 0.00 0.00 173.10 175.36 1pun n LYS 39 N 5.02 0.00 0.07 2.90 4.81 -1.26 -4.98 118.16 124.72 1pun n LYS 39 Ca -0.10 0.08 -0.07 0.00 -0.87 0.00 0.00 58.31 57.36 1pun n LYS 39 Cb 0.49 -1.09 0.08 0.00 0.02 0.00 0.00 35.03 34.52 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 1.40 0.00 3.15 3.07 -1.85 -3.37 117.51 119.91 1pun h ILE 40 Ca 0.00 -2.10 0.00 0.00 1.55 0.00 0.00 64.86 64.31 1pun h ILE 40 Cb 0.12 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.75 1pun h ILE 40 CO 0.00 0.62 0.00 -1.84 -1.05 0.00 0.00 178.15 175.88 1pun n GLU 41 N -3.84 0.00 0.00 0.16 0.28 -1.26 -4.39 120.64 111.60 1pun n GLU 41 Ca -0.03 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1pun n GLU 41 Cb 0.66 -0.67 0.00 0.00 1.43 0.00 0.00 31.44 32.86 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 -0.28 0.00 -0.62 3.44 2.81 -1.26 -2.60 117.12 118.62 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 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 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 0.02 0.00 3.03 0.00 -1.26 -5.13 105.19 101.85 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 0.49 -3.11 1.61 4.71 -1.07 -5.07 120.64 118.19 1pun n GLU 44 Ca -0.10 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 56.84 1pun n GLU 44 Cb 0.40 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.84 1pun n GLU 44 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1pun s THR 45 N -0.15 3.91 0.58 2.62 -4.23 -1.26 -4.73 115.64 112.38 1pun s THR 45 Ca 0.00 -0.68 0.31 0.00 -1.18 0.00 0.00 61.69 60.15 1pun s THR 45 Cb 0.00 -3.41 0.45 0.00 1.34 0.00 0.00 72.50 70.87 1pun s THR 45 CO 0.00 -0.25 1.71 1.55 -0.54 0.00 0.00 174.62 177.09 1pun h PRO 46 N 0.53 0.00 0.00 3.99 0.13 -1.99 0.58 132.00 135.25 1pun h PRO 46 Ca -0.46 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.33 1pun h PRO 46 Cb 1.26 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1pun h PRO 46 CO 0.55 0.00 -2.19 0.39 -0.23 0.00 0.00 178.00 176.53 1pun n GLU 47 N -3.71 0.47 0.00 0.86 1.02 -1.26 -4.49 120.64 113.52 1pun n GLU 47 Ca 0.18 0.18 0.09 0.00 -0.02 0.00 0.00 57.16 57.59 1pun n GLU 47 Cb 1.10 -1.30 0.48 0.00 -0.02 0.00 0.00 31.44 31.70 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 -3.71 0.34 -0.06 3.49 1.13 -0.89 -1.34 117.38 116.33 1pun n GLN 48 Ca -0.40 0.09 -0.10 0.00 -1.94 0.00 0.00 57.00 54.64 1pun n GLN 48 Cb 0.82 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.58 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 -0.00 0.21 -1.58 0.00 -0.07 -3.28 119.26 117.48 1pun h ALA 49 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 54.91 54.25 1pun h ALA 49 Cb 0.13 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.95 1pun h ALA 49 CO 0.00 -0.00 -1.40 -0.24 0.00 0.00 0.00 179.25 177.61 1pun h VAL 50 N -1.00 1.35 -0.98 0.00 3.04 -1.77 -3.27 116.25 113.62 1pun h VAL 50 Ca -0.00 -2.80 0.24 0.00 -1.01 0.00 0.00 66.70 63.13 1pun h VAL 50 Cb 0.69 2.99 -0.08 0.00 -2.01 0.00 0.00 31.29 32.89 1pun h VAL 50 CO 0.00 0.83 0.64 0.58 -1.01 0.00 0.00 177.57 178.62 1pun h VAL 51 N 0.13 0.60 0.00 1.51 2.07 -1.39 1.64 116.25 120.81 1pun h VAL 51 Ca -0.22 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.02 1pun h VAL 51 Cb 2.10 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1pun h VAL 51 CO 0.25 0.07 -0.71 0.03 0.02 0.00 0.00 177.57 177.23 1pun h ARG 52 N 0.39 0.00 0.22 1.57 -0.00 -1.63 -3.15 114.38 111.77 1pun h ARG 52 Ca 0.53 0.00 -0.32 0.00 -0.50 0.00 0.00 59.98 59.69 1pun h ARG 52 Cb 1.37 0.00 0.03 0.00 0.00 0.00 0.00 29.97 31.37 1pun h ARG 52 CO -0.22 0.71 -1.43 0.93 0.00 0.00 0.00 179.97 179.95 1pun h GLU 53 N 0.00 0.47 -0.67 0.04 3.07 0.19 -2.77 114.58 114.92 1pun h GLU 53 Ca -0.01 -0.81 0.14 0.00 -0.50 0.00 0.00 59.36 58.18 1pun h GLU 53 Cb 1.33 0.30 -0.12 0.00 -0.84 0.00 0.00 28.75 29.42 1pun h GLU 53 CO 0.09 1.39 -0.06 1.25 -1.40 0.00 0.00 179.01 180.28 1pun h LEU 54 N 0.13 -0.42 0.04 1.33 5.85 0.21 1.51 115.31 123.96 1pun h LEU 54 Ca -0.23 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1pun h LEU 54 Cb 2.13 0.34 0.00 0.00 0.37 0.00 0.00 40.66 43.50 1pun h LEU 54 CO 0.26 -0.17 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.56 1pun h GLN 55 N 0.07 -0.05 -0.66 1.25 4.15 -1.66 -0.43 115.11 117.77 1pun h GLN 55 Ca 0.34 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.96 1pun h GLN 55 Cb 0.56 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 1pun h GLN 55 CO -0.62 0.54 0.55 1.49 -1.93 0.00 0.00 178.83 178.86 1pun h GLU 56 N -0.71 0.00 -0.29 1.69 4.81 -0.95 1.62 114.58 120.75 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 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1pun h GLU 56 CO 0.01 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.68 1pun n GLU 57 N -4.02 2.21 0.00 1.92 -0.58 0.51 0.32 120.64 121.00 1pun n GLU 57 Ca 0.13 -1.89 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 1pun n GLU 57 Cb 0.80 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 1pun n GLU 57 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1pun n VAL 58 N 0.74 0.00 0.00 2.62 0.31 0.56 -4.07 118.33 118.49 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 32.91 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 0.63 2.68 2.92 0.00 0.52 0.13 105.19 114.15 1pun n GLY 59 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.72 -0.61 -5.35 -1.26 -4.86 119.36 103.56 1pun n ILE 60 Ca 0.00 -0.61 -0.36 0.00 -0.27 0.00 0.00 62.75 61.51 1pun n ILE 60 Cb 0.00 -1.54 -0.09 0.00 -1.74 0.00 0.00 39.64 36.27 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 -2.91 3.76 0.05 7.28 -4.23 -1.26 -4.96 115.64 113.36 1pun s THR 61 Ca 0.53 -3.13 0.05 0.00 -1.18 0.00 0.00 61.69 57.95 1pun s THR 61 Cb -0.02 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 1pun s THR 61 CO 0.38 -0.91 -0.06 -2.16 -0.54 0.00 0.00 174.62 171.33 1pun s PRO 62 N -0.29 2.42 -1.24 3.99 0.04 -1.26 -3.14 135.00 135.51 1pun s PRO 62 Ca 0.19 -0.84 -0.20 0.00 0.04 0.00 0.00 61.00 60.18 1pun s PRO 62 Cb -0.18 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1pun s PRO 62 CO -0.05 0.56 1.84 1.04 0.04 0.00 0.00 177.00 180.43 1pun n GLN 63 N 1.07 2.38 -5.11 4.56 6.02 -0.55 -4.85 117.38 120.91 1pun n GLN 63 Ca -0.14 -2.87 -0.30 0.00 -0.01 0.00 0.00 57.00 53.68 1pun n GLN 63 Cb 0.52 -3.62 -0.17 0.00 1.02 0.00 0.00 30.24 27.99 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 7.73 2.33 -0.57 1.08 2.46 -1.24 -0.11 115.29 126.97 1pun s HIS 64 Ca 0.61 -0.91 0.00 0.00 0.47 0.00 0.00 55.06 55.24 1pun s HIS 64 Cb 0.02 -1.57 0.00 0.00 -0.13 0.00 0.00 32.58 30.90 1pun s HIS 64 CO 0.11 -0.36 0.00 0.34 -2.47 0.00 0.00 174.74 172.36 1pun n PHE 65 N 3.48 0.00 -0.45 3.88 -0.00 -1.26 -4.94 117.46 118.16 1pun n PHE 65 Ca -0.19 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.30 1pun n PHE 65 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.98 1pun n PHE 65 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1pun n SER 66 N 0.34 -2.46 -4.13 -2.13 7.64 -1.26 -3.45 113.62 108.17 1pun n SER 66 Ca 0.00 0.48 -0.33 0.00 1.01 0.00 0.00 58.87 60.03 1pun n SER 66 Cb 0.00 -1.45 -0.16 0.00 -1.01 0.00 0.00 64.21 61.59 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 -4.83 2.16 0.12 -3.43 0.05 -1.26 0.13 118.68 111.63 1pun s LEU 67 Ca 0.00 -0.64 -0.07 0.00 0.05 0.00 0.00 54.13 53.47 1pun s LEU 67 Cb 0.00 -1.49 -0.10 0.00 -2.05 0.00 0.00 46.19 42.55 1pun s LEU 67 CO 0.00 0.00 1.30 0.15 -0.55 0.00 0.00 176.35 177.26 1pun h PHE 68 N 7.91 0.76 -1.86 3.48 3.04 -1.43 -3.42 116.94 125.42 1pun h PHE 68 Ca -0.45 -0.39 0.20 0.00 3.98 0.00 0.00 57.97 61.31 1pun h PHE 68 Cb 1.14 -0.10 -0.16 0.00 2.56 0.00 0.00 35.95 39.40 1pun h PHE 68 CO 0.47 1.20 0.66 -2.00 -2.02 0.00 0.00 178.31 176.63 1pun s GLU 69 N -3.41 0.58 -0.06 1.11 2.12 -1.18 -5.00 118.70 112.85 1pun s GLU 69 Ca -0.07 -0.23 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 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 0.88 -0.26 0.14 0.15 -0.54 0.00 0.00 175.26 175.63 1pun s LYS 70 N -2.76 0.10 -0.35 4.30 3.01 -1.26 0.11 119.74 122.90 1pun s LYS 70 Ca 0.08 0.32 -0.13 0.00 -1.01 0.00 0.00 55.97 55.23 1pun s LYS 70 Cb -0.01 -0.12 -0.01 0.00 -1.01 0.00 0.00 37.83 36.68 1pun s LYS 70 CO -0.06 -0.13 0.25 -1.17 0.51 0.00 0.00 175.35 174.75 1pun s LEU 71 N 0.92 4.58 -0.32 3.17 2.96 0.56 -4.91 118.68 125.64 1pun s LEU 71 Ca -0.07 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1pun s LEU 71 Cb -0.09 -2.14 0.06 0.00 0.50 0.00 0.00 46.19 44.52 1pun s LEU 71 CO -0.05 -0.26 0.04 -0.70 -1.32 0.00 0.00 176.35 174.07 1pun s GLU 72 N 1.72 2.35 -0.05 1.98 2.12 -1.26 -0.30 118.70 125.26 1pun s GLU 72 Ca 0.06 -1.36 -0.03 0.00 0.36 0.00 0.00 54.97 54.00 1pun s GLU 72 Cb -0.18 -3.27 0.03 0.00 0.26 0.00 0.00 34.13 30.98 1pun s GLU 72 CO 0.10 -0.70 0.11 -0.47 -0.54 0.00 0.00 175.26 173.77 1pun s TYR 73 N 1.24 -0.12 -0.29 5.30 5.04 -1.10 -5.08 117.35 122.34 1pun s TYR 73 Ca -0.02 0.36 -0.01 0.00 -2.44 0.00 0.00 57.07 54.95 1pun s TYR 73 Cb -0.20 -0.07 0.05 0.00 0.35 0.00 0.00 41.96 42.09 1pun s TYR 73 CO -0.01 -0.12 -0.02 -1.83 -1.34 0.00 0.00 175.55 172.23 1pun s GLU 74 N 0.78 2.40 0.60 4.97 -1.05 -1.26 -0.99 118.70 124.14 1pun s GLU 74 Ca -0.06 -1.28 -0.08 0.00 -0.15 0.00 0.00 54.97 53.41 1pun s GLU 74 Cb -0.08 -3.12 -0.00 0.00 -0.44 0.00 0.00 34.13 30.48 1pun s GLU 74 CO -0.03 -0.61 0.94 -0.06 0.95 0.00 0.00 175.26 176.44 1pun s PHE 75 N 1.22 3.37 -0.02 4.83 0.08 -0.50 -4.81 117.98 122.16 1pun s PHE 75 Ca -0.06 0.84 -0.00 0.00 0.12 0.00 0.00 56.93 57.83 1pun s PHE 75 Cb -0.20 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.52 1pun s PHE 75 CO -0.02 -0.78 0.67 -2.30 -0.10 0.00 0.00 175.22 172.69 1pun n PRO 76 N -2.63 0.00 0.00 0.24 -0.01 -1.26 -1.18 135.00 130.16 1pun n PRO 76 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.53 1pun n PRO 76 Cb 0.57 -0.65 0.00 0.00 -0.01 0.00 0.00 33.50 33.41 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 2.93 0.00 -4.51 2.55 8.00 -1.26 -4.93 116.55 119.32 1pun n ASP 77 Ca 0.02 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.09 1pun n ASP 77 Cb 0.31 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.37 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 3.31 0.15 -1.24 3.52 -0.33 -3.10 118.95 121.26 1pun s ARG 78 Ca 0.00 -0.33 0.03 0.00 -0.13 0.00 0.00 55.73 55.30 1pun s ARG 78 Cb 0.00 -4.05 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 1pun s ARG 78 CO 0.00 -1.45 0.25 -1.01 -0.81 0.00 0.00 175.30 172.28 1pun s HIS 79 N 3.79 3.40 0.03 5.12 3.76 0.11 -1.41 115.29 130.10 1pun s HIS 79 Ca 0.29 0.09 0.05 0.00 -0.15 0.00 0.00 55.06 55.34 1pun s HIS 79 Cb -0.13 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 1pun s HIS 79 CO 0.18 0.52 -0.15 -1.50 -0.85 0.00 0.00 174.74 172.94 1pun s ILE 80 N -1.74 1.18 -0.11 0.60 2.07 -0.16 -0.04 121.20 123.01 1pun s ILE 80 Ca 0.34 -0.97 -0.01 0.00 -1.41 0.00 0.00 60.65 58.59 1pun s ILE 80 Cb -0.11 -1.05 0.03 0.00 0.13 0.00 0.00 42.46 41.46 1pun s ILE 80 CO 0.27 0.07 -0.03 0.42 -1.91 0.00 0.00 174.94 173.76 1pun s THR 81 N -0.78 0.70 -0.26 4.00 -4.23 0.64 -2.71 115.64 113.01 1pun s THR 81 Ca 0.03 -0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.35 1pun s THR 81 Cb -0.08 -0.84 0.03 0.00 1.34 0.00 0.00 72.50 72.95 1pun s THR 81 CO 0.01 0.25 -0.03 -0.22 -0.54 0.00 0.00 174.62 174.09 1pun s LEU 82 N 1.83 3.41 -0.24 4.79 1.98 0.58 0.10 118.68 131.14 1pun s LEU 82 Ca 0.04 -0.93 -0.09 0.00 -2.89 0.00 0.00 54.13 50.26 1pun s LEU 82 Cb -0.13 -1.70 -0.04 0.00 0.66 0.00 0.00 46.19 44.98 1pun s LEU 82 CO -0.07 -0.16 0.12 0.26 -1.89 0.00 0.00 176.35 174.61 1pun s TRP 83 N 1.33 3.20 -0.14 5.38 0.51 0.21 0.21 118.94 129.64 1pun s TRP 83 Ca -0.01 -0.03 -0.03 0.00 -2.12 0.00 0.00 56.10 53.91 1pun s TRP 83 Cb -0.17 -2.26 -0.03 0.00 -0.81 0.00 0.00 33.47 30.20 1pun s TRP 83 CO -0.03 -0.11 -0.04 -0.06 -0.51 0.00 0.00 176.95 176.20 1pun s PHE 84 N 1.30 3.03 -0.17 -1.98 0.40 0.31 0.19 117.98 121.06 1pun s PHE 84 Ca 0.06 -0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.12 1pun s PHE 84 Cb -0.15 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1pun s PHE 84 CO 0.05 0.03 -0.04 -1.58 0.70 0.00 0.00 175.22 174.38 1pun s TRP 85 N 0.19 2.99 -0.66 0.36 0.52 0.12 -1.27 118.94 121.19 1pun s TRP 85 Ca -0.02 -0.45 -0.22 0.00 0.02 0.00 0.00 56.10 55.43 1pun s TRP 85 Cb -0.14 -1.98 0.08 0.00 -1.15 0.00 0.00 33.47 30.28 1pun s TRP 85 CO 0.03 -0.16 0.94 -0.48 0.02 0.00 0.00 176.95 177.30 1pun s LEU 86 N 0.61 4.53 0.47 2.99 0.05 0.35 -3.54 118.68 124.15 1pun s LEU 86 Ca -0.03 -1.09 -0.22 0.00 0.05 0.00 0.00 54.13 52.84 1pun s LEU 86 Cb -0.15 -2.40 -0.07 0.00 -2.05 0.00 0.00 46.19 41.52 1pun s LEU 86 CO 0.02 -1.39 1.12 -0.69 -0.55 0.00 0.00 176.35 174.87 1pun s VAL 87 N 3.85 3.30 -0.03 1.48 1.01 -1.16 -4.18 120.40 124.67 1pun s VAL 87 Ca 0.21 0.92 0.04 0.00 0.00 0.00 0.00 61.98 63.15 1pun s VAL 87 Cb -0.17 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 1pun s VAL 87 CO 0.09 -0.07 0.05 -1.84 0.00 0.00 0.00 175.10 173.33 1pun n GLU 88 N -0.66 1.91 -3.64 2.72 0.28 -1.11 -3.81 120.64 116.34 1pun n GLU 88 Ca 0.08 -0.02 -0.07 0.00 -0.16 0.00 0.00 57.16 56.99 1pun n GLU 88 Cb 0.49 -1.11 -0.02 0.00 1.43 0.00 0.00 31.44 32.24 1pun n GLU 88 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1pun s ARG 89 N -2.19 1.25 -0.25 3.44 6.06 0.84 -4.66 118.95 123.44 1pun s ARG 89 Ca -0.02 -0.60 -0.11 0.00 -2.50 0.00 0.00 55.73 52.50 1pun s ARG 89 Cb 0.02 0.49 0.09 0.00 0.06 0.00 0.00 34.95 35.61 1pun s ARG 89 CO 0.18 -0.56 0.58 1.67 -2.50 0.00 0.00 175.30 174.66 1pun s TRP 90 N -3.49 -1.01 0.43 5.12 -2.14 -1.26 -1.48 118.94 115.12 1pun s TRP 90 Ca 0.08 1.92 -0.21 0.00 2.66 0.00 0.00 56.10 60.54 1pun s TRP 90 Cb -0.02 0.55 -0.10 0.00 -3.10 0.00 0.00 33.47 30.80 1pun s TRP 90 CO -0.03 -0.52 0.97 -2.00 -2.66 0.00 0.00 176.95 172.71 1pun s GLU 91 N 2.11 4.16 6.71 3.25 2.12 -1.19 -4.81 118.70 131.06 1pun s GLU 91 Ca -0.07 1.20 0.00 0.00 0.36 0.00 0.00 54.97 56.46 1pun s GLU 91 Cb -0.09 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.08 1pun s GLU 91 CO -0.17 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 1pun n GLY 92 N -0.43 3.90 3.07 -1.50 0.00 -1.26 -4.56 105.19 104.41 1pun n GLY 92 Ca 0.07 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1pun n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pun s GLU 93 N 0.00 0.82 0.07 1.61 2.12 -1.26 -5.13 118.70 116.93 1pun s GLU 93 Ca 0.00 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 1pun s GLU 93 Cb 0.00 -0.79 -0.05 0.00 0.26 0.00 0.00 34.13 33.55 1pun s GLU 93 CO 0.00 0.21 1.10 -2.14 -0.54 0.00 0.00 175.26 173.89 1pun s PRO 94 N -0.60 4.52 0.19 4.30 0.02 -1.26 -4.60 135.00 137.57 1pun s PRO 94 Ca 0.02 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1pun s PRO 94 Cb -0.05 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1pun s PRO 94 CO 0.00 -0.09 0.00 -2.67 -0.33 0.00 0.00 177.00 173.91 1pun n TRP 95 N 3.50 -1.68 0.00 6.54 4.27 0.86 -4.92 117.44 126.02 1pun n TRP 95 Ca 0.06 0.30 0.00 0.00 -3.89 0.00 0.00 57.50 53.97 1pun n TRP 95 Cb 0.48 0.53 0.00 0.00 -1.36 0.00 0.00 31.31 30.96 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 1.61 0.99 0.00 -1.67 0.00 0.34 -3.88 105.19 102.58 1pun n GLY 96 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.20 1.61 4.81 0.15 -4.73 118.16 119.80 1pun n LYS 97 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 1pun n LYS 97 Cb 0.00 0.00 0.40 0.00 0.02 0.00 0.00 35.03 35.45 1pun n LYS 97 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1pun h GLU 98 N 0.00 0.63 0.00 1.64 4.11 -1.72 -3.45 114.58 115.80 1pun h GLU 98 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1pun h GLU 98 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1pun h GLU 98 CO 0.00 0.42 0.00 0.41 0.07 0.00 0.00 179.01 179.91 1pun n GLY 99 N -1.46 1.43 2.70 1.06 0.00 -1.26 -4.98 105.19 102.69 1pun n GLY 99 Ca 0.14 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 0.20 0.29 1.61 -0.21 -1.26 -5.11 119.66 115.18 1pun s GLN 100 Ca 0.00 0.23 -0.26 0.00 0.02 0.00 0.00 55.36 55.35 1pun s GLN 100 Cb 0.00 -0.81 -0.15 0.00 1.00 0.00 0.00 33.01 33.05 1pun s GLN 100 CO 0.00 -0.35 0.61 -2.30 -2.12 0.00 0.00 175.29 171.13 1pun n PRO 101 N 5.24 0.48 -4.40 2.91 -0.02 -1.26 -4.58 135.00 133.37 1pun n PRO 101 Ca -0.05 0.17 -0.22 0.00 -2.02 0.00 0.00 63.50 61.38 1pun n PRO 101 Cb 0.50 -1.33 -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 -0.87 2.38 0.13 -1.23 0.00 -1.26 -4.29 107.32 102.17 1pun s GLY 102 Ca 0.62 -1.61 0.11 0.00 0.00 0.00 0.00 44.72 43.83 1pun s GLY 102 CO 0.58 -1.66 -0.26 1.85 0.00 0.00 0.00 173.10 173.61 1pun s GLU 103 N -3.67 1.38 -0.31 2.90 2.12 -1.26 -4.90 118.70 114.95 1pun s GLU 103 Ca 0.32 -1.34 -0.28 0.00 0.36 0.00 0.00 54.97 54.03 1pun s GLU 103 Cb 0.03 -1.85 -0.06 0.00 0.26 0.00 0.00 34.13 32.51 1pun s GLU 103 CO 0.19 0.44 2.28 -2.67 -0.54 0.00 0.00 175.26 174.95 1pun n TRP 104 N 0.91 1.77 -4.40 5.30 4.27 -1.26 -3.24 117.44 120.79 1pun n TRP 104 Ca -0.18 -0.02 -0.28 0.00 -3.89 0.00 0.00 57.50 53.13 1pun n TRP 104 Cb 0.53 -2.68 -0.13 0.00 -1.36 0.00 0.00 31.31 27.68 1pun n TRP 104 CO 0.00 0.00 0.00 1.41 -2.29 0.00 0.00 177.69 176.81 1pun s MET 105 N 6.86 1.43 0.12 -2.67 -2.45 -0.95 -4.78 119.30 116.87 1pun s MET 105 Ca 1.02 -1.41 -0.30 0.00 -1.25 0.00 0.00 55.69 53.75 1pun s MET 105 Cb -0.37 -1.86 -0.07 0.00 1.25 0.00 0.00 34.83 33.78 1pun s MET 105 CO 0.35 0.43 1.24 -1.54 1.05 0.00 0.00 175.02 176.54 1pun s SER 106 N -2.27 7.03 0.38 1.11 1.04 -1.26 0.19 113.70 119.92 1pun s SER 106 Ca 0.16 2.17 0.24 0.00 0.48 0.00 0.00 55.95 59.00 1pun s SER 106 Cb -0.09 -2.59 0.46 0.00 0.10 0.00 0.00 66.02 63.89 1pun s SER 106 CO 0.07 -0.46 1.65 -0.07 0.98 0.00 0.00 173.24 175.41 1pun h LEU 107 N 6.13 0.00 -1.69 2.42 3.38 -1.87 -3.29 115.31 120.38 1pun h LEU 107 Ca -0.43 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.62 1pun h LEU 107 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1pun h LEU 107 CO 0.79 0.00 0.53 1.62 0.09 0.00 0.00 178.44 181.48 1pun h VAL 108 N 0.00 0.15 -1.12 1.22 3.04 -1.92 -0.35 116.25 117.28 1pun h VAL 108 Ca 0.00 0.00 -0.51 0.00 -1.01 0.00 0.00 66.70 65.18 1pun h VAL 108 Cb 0.94 0.52 -0.42 0.00 -2.01 0.00 0.00 31.29 30.32 1pun h VAL 108 CO 0.00 0.00 -0.86 0.61 -1.01 0.00 0.00 177.57 176.31 1pun n GLY 109 N -1.40 5.04 3.75 3.17 0.00 -1.24 -5.08 105.19 109.43 1pun n GLY 109 Ca 0.04 -2.35 -0.38 0.00 0.00 0.00 0.00 46.02 43.33 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 -3.52 3.83 -0.26 0.99 2.96 -0.14 -5.01 118.68 117.53 1pun s LEU 110 Ca 0.44 2.64 0.02 0.00 -0.22 0.00 0.00 54.13 57.01 1pun s LEU 110 Cb 0.40 -4.33 0.07 0.00 0.50 0.00 0.00 46.19 42.83 1pun s LEU 110 CO -0.07 -1.51 -0.05 0.20 -1.32 0.00 0.00 176.35 173.59 1pun s ASN 111 N -1.12 4.18 0.40 3.68 0.01 -1.26 -4.91 114.94 115.91 1pun s ASN 111 Ca 0.72 -1.40 0.28 0.00 -0.71 0.00 0.00 52.86 51.75 1pun s ASN 111 Cb -0.37 -1.35 1.05 0.00 0.41 0.00 0.00 41.25 40.99 1pun s ASN 111 CO 0.43 -0.25 1.82 0.00 -1.51 0.00 0.00 177.10 177.60 1pun h ALA 112 N 7.85 1.00 0.12 0.60 0.00 -1.91 -2.87 119.26 124.06 1pun h ALA 112 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 1pun h ALA 112 Cb 1.05 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1pun h ALA 112 CO 0.44 0.00 -1.22 0.38 0.00 0.00 0.00 179.25 178.86 1pun h ASP 113 N 0.00 0.59 0.20 0.00 3.04 -1.96 -3.22 116.42 115.07 1pun h ASP 113 Ca 0.00 -0.58 0.00 0.00 -3.24 0.00 0.00 57.03 53.21 1pun h ASP 113 Cb 0.54 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.64 1pun h ASP 113 CO 0.00 1.43 -0.06 0.47 -2.04 0.00 0.00 179.24 179.04 1pun n ASP 114 N -3.65 0.54 -4.67 4.15 9.92 -1.11 -4.86 116.55 116.86 1pun n ASP 114 Ca -0.10 -0.86 -0.24 0.00 -0.53 0.00 0.00 54.79 53.06 1pun n ASP 114 Cb 0.99 -0.05 -0.08 0.00 -0.64 0.00 0.00 41.12 41.35 1pun n ASP 114 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1pun s PHE 115 N -2.26 2.59 0.10 1.24 -0.71 -1.10 -1.83 117.98 116.01 1pun s PHE 115 Ca 0.36 -0.46 -0.34 0.00 -1.04 0.00 0.00 56.93 55.44 1pun s PHE 115 Cb 0.21 -1.62 -0.14 0.00 -1.21 0.00 0.00 43.02 40.26 1pun s PHE 115 CO 0.42 0.39 1.61 -0.35 -1.34 0.00 0.00 175.22 175.96 1pun n PRO 116 N -1.05 2.03 0.24 1.99 -0.04 -0.84 -4.84 135.00 132.49 1pun n PRO 116 Ca -0.03 0.74 0.17 0.00 -0.04 0.00 0.00 63.50 64.33 1pun n PRO 116 Cb 0.63 -2.50 0.78 0.00 -0.04 0.00 0.00 33.50 32.36 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 6.43 0.00 0.00 0.54 0.13 -1.88 -2.49 132.00 134.73 1pun h PRO 117 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 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 -0.07 0.00 -0.23 0.00 0.00 178.00 178.59 1pun h ALA 118 N 2.06 1.36 -0.01 -0.56 0.00 -1.97 -1.79 119.26 118.34 1pun h ALA 118 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pun h ALA 118 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pun h ALA 118 CO 0.00 0.08 -0.11 0.09 0.00 0.00 0.00 179.25 179.31 1pun n ASN 119 N -3.69 1.92 -0.25 0.00 5.03 -0.94 -4.60 115.26 112.72 1pun n ASN 119 Ca -0.02 -1.46 0.13 0.00 0.87 0.00 0.00 54.58 54.09 1pun n ASN 119 Cb 0.17 0.18 0.40 0.00 -1.02 0.00 0.00 39.78 39.52 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 2.34 0.62 -0.77 3.52 4.81 -1.30 -2.98 114.58 120.82 1pun h GLU 120 Ca 0.00 -0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.34 1pun h GLU 120 Cb 0.55 -0.14 -0.15 0.00 0.63 0.00 0.00 28.75 29.65 1pun h GLU 120 CO 0.00 0.41 -0.22 -1.35 -0.73 0.00 0.00 179.01 177.12 1pun h PRO 121 N 0.64 -0.02 0.02 0.92 0.11 -1.81 1.67 132.00 133.53 1pun h PRO 121 Ca 0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.55 1pun h PRO 121 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1pun h PRO 121 CO -0.20 -0.01 -0.01 0.28 -0.21 0.00 0.00 178.00 177.85 1pun h VAL 122 N -0.02 1.16 -0.07 3.15 2.07 -1.90 -3.32 116.25 117.32 1pun h VAL 122 Ca 0.36 -1.78 0.02 0.00 0.82 0.00 0.00 66.70 66.12 1pun h VAL 122 Cb 0.57 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1pun h VAL 122 CO -0.80 0.38 0.06 0.40 0.02 0.00 0.00 177.57 177.62 1pun h ILE 123 N -0.97 0.87 -0.11 4.57 1.08 -1.41 -2.02 117.51 119.52 1pun h ILE 123 Ca -0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1pun h ILE 123 Cb 0.64 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.31 1pun h ILE 123 CO 0.00 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.35 1pun h ALA 124 N 1.96 -0.03 -0.38 1.87 0.00 0.24 1.96 119.26 124.88 1pun h ALA 124 Ca 0.04 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.06 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 -0.57 0.03 -0.22 0.00 0.00 0.00 179.25 178.48 1pun h LYS 125 N -0.14 0.13 0.00 0.00 3.11 -1.46 0.14 116.57 118.34 1pun h LYS 125 Ca 0.08 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.91 1pun h LYS 125 Cb 0.26 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1pun h LYS 125 CO -0.20 0.09 -0.00 1.25 -2.81 0.00 0.00 179.45 177.78 1pun h LEU 126 N 0.13 -0.00 -1.19 5.20 5.85 -1.45 -3.33 115.31 120.53 1pun h LEU 126 Ca 0.18 -0.91 0.21 0.00 0.84 0.00 0.00 57.88 58.20 1pun h LEU 126 Cb 0.24 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.18 1pun h LEU 126 CO -0.28 0.91 0.62 0.50 -0.34 0.00 0.00 178.44 179.85 1pun h LYS 127 N -0.92 0.59 0.00 1.25 3.64 0.32 1.45 116.57 122.90 1pun h LYS 127 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1pun h LYS 127 Cb 0.91 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1pun h LYS 127 CO 0.00 0.39 0.00 -2.13 -2.27 0.00 0.00 179.45 175.44 1pun n ARG 128 N -4.69 0.04 -0.15 1.90 0.63 0.47 -4.97 116.66 109.89 1pun n ARG 128 Ca 0.23 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 1pun n ARG 128 Cb 0.67 -1.62 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