#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 2.76 0.08 0.03 2.47 -1.01 -5.05 119.74 119.02 1pun s LYS 2 Ca 0.00 -0.55 0.02 0.00 -1.56 0.00 0.00 55.97 53.88 1pun s LYS 2 Cb 0.00 -2.61 -0.04 0.00 -1.46 0.00 0.00 37.83 33.73 1pun s LYS 2 CO 0.00 0.66 -0.06 -1.59 0.16 0.00 0.00 175.35 174.52 1pun s LYS 3 N -0.88 0.76 -0.12 4.03 -2.85 -1.26 -0.94 119.74 118.47 1pun s LYS 3 Ca 0.13 -1.22 -0.05 0.00 -1.00 0.00 0.00 55.97 53.84 1pun s LYS 3 Cb -0.11 -0.19 0.06 0.00 -2.06 0.00 0.00 37.83 35.54 1pun s LYS 3 CO 0.02 -0.01 0.25 -0.48 0.10 0.00 0.00 175.35 175.23 1pun s LEU 4 N -2.75 -0.27 0.15 2.77 0.05 0.62 -4.88 118.68 114.37 1pun s LEU 4 Ca 0.07 0.57 0.03 0.00 0.05 0.00 0.00 54.13 54.85 1pun s LEU 4 Cb 0.03 0.66 -0.04 0.00 -2.05 0.00 0.00 46.19 44.79 1pun s LEU 4 CO -0.04 -0.24 0.23 -1.10 -0.55 0.00 0.00 176.35 174.65 1pun s GLN 5 N 2.38 3.24 -0.09 1.48 -0.21 -1.26 -0.68 119.66 124.52 1pun s GLN 5 Ca 0.01 -0.69 -0.09 0.00 0.02 0.00 0.00 55.36 54.61 1pun s GLN 5 Cb -0.12 -2.85 0.02 0.00 1.00 0.00 0.00 33.01 31.07 1pun s GLN 5 CO -0.08 0.51 0.24 0.42 -2.12 0.00 0.00 175.29 174.26 1pun s ILE 6 N -1.73 0.00 0.02 1.08 1.09 0.45 -3.87 121.20 118.23 1pun s ILE 6 Ca 0.33 -0.03 0.06 0.00 -1.10 0.00 0.00 60.65 59.91 1pun s ILE 6 Cb -0.11 -0.35 -0.02 0.00 -1.06 0.00 0.00 42.46 40.92 1pun s ILE 6 CO 0.27 -0.01 -0.18 0.00 -0.10 0.00 0.00 174.94 174.91 1pun s ALA 7 N 0.07 1.48 0.04 9.38 0.00 -1.25 0.19 121.76 131.66 1pun s ALA 7 Ca -0.01 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 1pun s ALA 7 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1pun s ALA 7 CO 0.00 0.34 0.12 0.54 0.00 0.00 0.00 175.76 176.76 1pun s VAL 8 N -0.62 0.12 -0.10 0.00 0.11 0.39 -3.75 120.40 116.55 1pun s VAL 8 Ca 0.06 -1.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.00 1pun s VAL 8 Cb -0.08 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1pun s VAL 8 CO 0.01 -0.56 0.27 -0.83 -3.33 0.00 0.00 175.10 170.65 1pun s GLY 9 N -2.06 -0.20 -0.23 6.54 0.00 -0.97 0.15 107.32 110.56 1pun s GLY 9 Ca -0.06 0.78 -0.21 0.00 0.00 0.00 0.00 44.72 45.23 1pun s GLY 9 CO -0.04 0.70 0.65 -0.26 0.00 0.00 0.00 173.10 174.15 1pun s ILE 10 N 0.23 4.98 -0.46 0.90 -4.36 -1.19 -3.70 121.20 117.60 1pun s ILE 10 Ca -0.01 1.19 -0.27 0.00 -0.26 0.00 0.00 60.65 61.31 1pun s ILE 10 Cb -0.03 -3.95 0.03 0.00 1.25 0.00 0.00 42.46 39.76 1pun s ILE 10 CO -0.00 0.05 0.99 -0.63 0.24 0.00 0.00 174.94 175.59 1pun s ILE 11 N 2.32 4.39 0.38 8.37 1.01 -1.26 -2.78 121.20 133.62 1pun s ILE 11 Ca 0.28 0.93 -0.21 0.00 0.00 0.00 0.00 60.65 61.65 1pun s ILE 11 Cb -0.16 -4.49 -0.10 0.00 0.01 0.00 0.00 42.46 37.73 1pun s ILE 11 CO 0.09 -0.88 0.89 -0.13 0.00 0.00 0.00 174.94 174.92 1pun s ARG 12 N 3.97 4.25 0.15 2.79 1.81 -1.25 -0.46 118.95 130.20 1pun s ARG 12 Ca 0.41 1.05 0.02 0.00 -1.72 0.00 0.00 55.73 55.49 1pun s ARG 12 Cb -0.09 -2.39 -0.01 0.00 -0.45 0.00 0.00 34.95 32.01 1pun s ARG 12 CO 0.28 0.09 0.07 0.27 -0.68 0.00 0.00 175.30 175.32 1pun n ASN 13 N -0.28 0.79 -0.00 0.23 6.94 -1.06 -3.10 115.26 118.78 1pun n ASN 13 Ca 0.05 -1.82 -0.10 0.00 -0.02 0.00 0.00 54.58 52.68 1pun n ASN 13 Cb 0.53 0.44 -0.04 0.00 -2.36 0.00 0.00 39.78 38.35 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 -0.35 0.00 -3.83 4.57 -1.88 -1.51 114.58 111.58 1pun h GLU 14 Ca -0.11 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1pun h GLU 14 Cb 0.46 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1pun h GLU 14 CO 0.18 -0.23 0.01 -1.71 -1.18 0.00 0.00 179.01 176.08 1pun n ASN 15 N -5.40 0.42 0.00 1.04 5.15 -1.26 -4.80 115.26 110.41 1pun n ASN 15 Ca -0.03 0.69 0.00 0.00 -0.60 0.00 0.00 54.58 54.64 1pun n ASN 15 Cb 0.32 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 38.83 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 -2.07 -2.27 -4.66 1.20 4.05 -0.57 -5.04 115.26 105.91 1pun n ASN 16 Ca -0.01 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.70 1pun n ASN 16 Cb 0.04 -0.38 -0.09 0.00 1.23 0.00 0.00 39.78 40.58 1pun n ASN 16 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1pun s GLU 17 N -0.19 2.71 -0.19 1.20 2.02 -1.26 -4.64 118.70 118.36 1pun s GLU 17 Ca 0.00 -0.65 -0.07 0.00 0.02 0.00 0.00 54.97 54.28 1pun s GLU 17 Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 1pun s GLU 17 CO 0.00 0.62 0.04 -1.50 0.02 0.00 0.00 175.26 174.44 1pun s ILE 18 N -1.06 4.50 -0.58 -1.63 -1.16 0.27 -2.56 121.20 118.99 1pun s ILE 18 Ca 0.19 -0.13 -0.26 0.00 -0.51 0.00 0.00 60.65 59.94 1pun s ILE 18 Cb -0.11 -3.03 -0.08 0.00 0.61 0.00 0.00 42.46 39.85 1pun s ILE 18 CO 0.09 0.45 2.34 0.12 -2.81 0.00 0.00 174.94 175.13 1pun s PHE 19 N 0.59 1.17 -0.17 3.50 2.19 0.39 -2.65 117.98 122.99 1pun s PHE 19 Ca 0.02 1.55 -0.07 0.00 0.33 0.00 0.00 56.93 58.76 1pun s PHE 19 Cb -0.13 -3.62 -0.04 0.00 -1.31 0.00 0.00 43.02 37.92 1pun s PHE 19 CO 0.02 -2.27 0.07 0.96 1.83 0.00 0.00 175.22 175.82 1pun s ILE 20 N 12.40 4.86 -0.32 3.12 -4.36 -1.21 -4.35 121.20 131.34 1pun s ILE 20 Ca 0.92 -0.01 -0.29 0.00 -0.26 0.00 0.00 60.65 61.01 1pun s ILE 20 Cb -0.15 -3.18 -0.01 0.00 1.25 0.00 0.00 42.46 40.37 1pun s ILE 20 CO 0.21 0.48 1.62 0.42 0.24 0.00 0.00 174.94 177.91 1pun s THR 21 N 0.18 3.68 -0.03 8.37 -4.23 -0.84 -3.67 115.64 119.10 1pun s THR 21 Ca 0.05 0.72 -0.10 0.00 -1.18 0.00 0.00 61.69 61.18 1pun s THR 21 Cb -0.12 -3.83 0.01 0.00 1.34 0.00 0.00 72.50 69.90 1pun s THR 21 CO 0.00 -0.47 0.22 -0.60 -0.54 0.00 0.00 174.62 173.23 1pun s ARG 22 N 5.11 0.47 0.71 3.99 3.00 -1.25 -1.80 118.95 129.17 1pun s ARG 22 Ca 0.72 -0.12 0.00 0.00 -1.00 0.00 0.00 55.73 55.32 1pun s ARG 22 Cb -0.21 0.21 0.00 0.00 0.00 0.00 0.00 34.95 34.95 1pun s ARG 22 CO 0.32 -0.11 0.00 0.54 0.00 0.00 0.00 175.30 176.05 1pun n ARG 23 N 1.85 0.00 -2.05 5.12 1.74 -1.26 -4.66 116.66 117.40 1pun n ARG 23 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1pun n ARG 23 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 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 3.87 0.00 -2.95 7.54 0.00 -1.26 -3.84 120.51 123.86 1pun n ALA 24 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1pun n ALA 24 Cb 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.82 -2.94 -2.80 0.00 0.00 -1.26 -4.51 120.51 107.18 1pun n ALA 25 Ca 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 53.44 54.23 1pun n ALA 25 Cb 0.44 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 0.06 -7.85 -0.93 0.00 8.00 -1.26 -5.06 116.55 109.50 1pun n ASP 26 Ca 0.05 1.21 0.00 0.00 0.71 0.00 0.00 54.79 56.76 1pun n ASP 26 Cb 0.40 -4.90 0.00 0.00 -0.02 0.00 0.00 41.12 36.60 1pun n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pun n ALA 27 N 0.65 0.00 0.24 2.24 0.00 -1.25 -5.06 120.51 117.33 1pun n ALA 27 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 1pun n ALA 27 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 1pun n ALA 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pun h HIS 28 N 0.55 -1.02 -3.19 0.00 3.86 -1.98 -3.44 115.15 109.94 1pun h HIS 28 Ca 0.00 0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 1pun h HIS 28 Cb 0.00 0.39 -0.28 0.00 1.06 0.00 0.00 27.41 28.58 1pun h HIS 28 CO 0.00 -0.53 -0.51 -1.64 0.86 0.00 0.00 177.93 176.12 1pun s MET 29 N -5.99 0.20 0.00 2.45 1.00 -1.26 -5.02 119.30 110.68 1pun s MET 29 Ca -0.17 0.36 0.21 0.00 0.00 0.00 0.00 55.69 56.09 1pun s MET 29 Cb 0.06 -0.01 0.94 0.00 0.00 0.00 0.00 34.83 35.82 1pun s MET 29 CO 0.63 -0.09 1.68 0.00 0.00 0.00 0.00 175.02 177.23 1pun n ALA 30 N 3.55 2.00 -0.74 3.03 0.00 -1.26 -3.07 120.51 124.02 1pun n ALA 30 Ca -0.19 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 52.98 1pun n ALA 30 Cb 0.56 -1.34 0.13 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.45 3.97 -1.39 0.00 2.85 -1.25 -4.27 115.26 113.71 1pun n ASN 31 Ca 0.06 -3.24 -0.04 0.00 -0.11 0.00 0.00 54.58 51.25 1pun n ASN 31 Cb 0.23 -0.79 0.23 0.00 1.24 0.00 0.00 39.78 40.69 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 -0.70 2.50 -0.55 1.20 3.00 -1.17 -1.91 118.16 120.53 1pun n LYS 32 Ca 0.46 -3.06 -0.14 0.00 -0.00 0.00 0.00 58.31 55.56 1pun n LYS 32 Cb 1.30 -1.95 -0.03 0.00 0.00 0.00 0.00 35.03 34.36 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 -0.81 3.52 -4.86 3.14 7.94 -0.93 -4.22 117.00 120.79 1pun n LEU 33 Ca 0.35 -2.30 -0.29 0.00 -1.11 0.00 0.00 56.01 52.66 1pun n LEU 33 Cb 1.16 -0.89 -0.03 0.00 0.53 0.00 0.00 43.42 44.19 1pun n LEU 33 CO 0.28 0.29 -0.05 -0.70 -1.11 0.00 0.00 177.39 176.10 1pun s GLU 34 N 3.36 2.23 0.39 1.96 2.12 -0.75 -4.33 118.70 123.68 1pun s GLU 34 Ca 0.31 -2.19 0.08 0.00 0.36 0.00 0.00 54.97 53.52 1pun s GLU 34 Cb 0.09 -1.88 -0.07 0.00 0.26 0.00 0.00 34.13 32.53 1pun s GLU 34 CO -0.02 -0.57 -0.02 -0.06 -0.54 0.00 0.00 175.26 174.05 1pun s PHE 35 N -2.83 2.48 1.07 5.30 0.40 -1.26 -1.99 117.98 121.15 1pun s PHE 35 Ca 0.22 -0.61 -0.21 0.00 -0.60 0.00 0.00 56.93 55.73 1pun s PHE 35 Cb -0.01 -1.64 -0.00 0.00 0.51 0.00 0.00 43.02 41.87 1pun s PHE 35 CO 0.14 0.49 -0.48 -0.35 0.70 0.00 0.00 175.22 175.72 1pun n PRO 36 N -0.91 -0.95 0.00 0.24 -0.04 -1.24 -4.66 135.00 127.44 1pun n PRO 36 Ca -0.05 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1pun n PRO 36 Cb 0.66 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 2.50 0.83 2.69 0.55 0.00 -1.25 -2.29 105.19 108.24 1pun n GLY 37 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.72 0.65 0.00 -0.02 0.00 -1.25 -3.78 107.32 101.21 1pun s GLY 38 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1pun s GLY 38 CO 0.00 1.56 0.00 1.17 0.00 0.00 0.00 173.10 175.83 1pun n LYS 39 N 5.09 0.00 -0.05 2.90 4.81 -1.26 -5.00 118.16 124.65 1pun n LYS 39 Ca -0.08 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.30 1pun n LYS 39 Cb 0.47 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.63 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 1.27 0.00 3.15 3.07 -1.84 -3.35 117.51 119.82 1pun h ILE 40 Ca 0.00 -1.36 0.00 0.00 1.55 0.00 0.00 64.86 65.05 1pun h ILE 40 Cb 0.00 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 1pun h ILE 40 CO 0.00 0.45 0.00 -1.84 -1.05 0.00 0.00 178.15 175.71 1pun n GLU 41 N -4.10 0.00 0.00 0.16 0.28 -1.25 -4.43 120.64 111.30 1pun n GLU 41 Ca -0.00 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 1pun n GLU 41 Cb 0.44 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.51 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 -0.54 0.00 -0.70 3.44 2.81 -1.26 -2.21 117.12 118.67 1pun n MET 42 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 1pun n MET 42 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 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 0.52 0.00 3.03 0.00 -1.26 -5.11 105.19 102.37 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 1.30 -3.75 1.61 1.02 -0.94 -5.07 120.64 114.81 1pun n GLU 44 Ca -0.13 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.79 1pun n GLU 44 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.93 1pun n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1pun s THR 45 N 0.78 5.20 0.59 2.62 2.01 -1.26 -4.74 115.64 120.84 1pun s THR 45 Ca 0.00 -0.78 0.32 0.00 0.31 0.00 0.00 61.69 61.55 1pun s THR 45 Cb 0.00 -3.86 0.47 0.00 0.01 0.00 0.00 72.50 69.12 1pun s THR 45 CO 0.00 -0.41 1.53 1.55 -0.69 0.00 0.00 174.62 176.60 1pun h PRO 46 N 1.05 0.00 0.00 4.92 0.13 -1.97 0.72 132.00 136.84 1pun h PRO 46 Ca -0.51 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.26 1pun h PRO 46 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1pun h PRO 46 CO 0.61 0.00 -2.22 0.39 -0.23 0.00 0.00 178.00 176.55 1pun n GLU 47 N -3.56 0.47 0.00 0.86 4.71 -1.26 -4.49 120.64 117.36 1pun n GLU 47 Ca 0.24 0.19 0.08 0.00 -0.01 0.00 0.00 57.16 57.67 1pun n GLU 47 Cb 1.40 -1.29 0.45 0.00 -1.01 0.00 0.00 31.44 30.98 1pun n GLU 47 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1pun n GLN 48 N -3.88 0.30 0.01 3.49 6.02 -0.67 -2.06 117.38 120.60 1pun n GLN 48 Ca -0.42 0.10 -0.20 0.00 -0.01 0.00 0.00 57.00 56.47 1pun n GLN 48 Cb 0.82 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.44 1pun n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pun h ALA 49 N 2.86 0.03 0.08 -1.58 0.00 0.19 -3.33 119.26 117.51 1pun h ALA 49 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 54.91 53.82 1pun h ALA 49 Cb 0.13 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pun h ALA 49 CO 0.00 0.51 -1.14 -0.24 0.00 0.00 0.00 179.25 178.38 1pun h VAL 50 N -0.45 1.53 -0.96 0.00 3.04 -1.74 -3.28 116.25 114.40 1pun h VAL 50 Ca -0.20 -3.04 0.22 0.00 -1.01 0.00 0.00 66.70 62.68 1pun h VAL 50 Cb 1.60 2.84 -0.08 0.00 -2.01 0.00 0.00 31.29 33.65 1pun h VAL 50 CO 0.08 0.88 0.63 0.58 -1.01 0.00 0.00 177.57 178.74 1pun h VAL 51 N 0.08 0.63 0.02 1.51 2.07 -1.56 1.78 116.25 120.77 1pun h VAL 51 Ca -0.10 -0.14 -0.21 0.00 0.82 0.00 0.00 66.70 67.07 1pun h VAL 51 Cb 1.86 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1pun h VAL 51 CO 0.18 0.08 -0.97 -0.09 0.02 0.00 0.00 177.57 176.79 1pun h ARG 52 N 0.42 0.10 0.12 1.57 2.43 -1.67 -3.23 114.38 114.13 1pun h ARG 52 Ca 0.52 -0.14 -0.27 0.00 -0.81 0.00 0.00 59.98 59.27 1pun h ARG 52 Cb 1.27 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1pun h ARG 52 CO -0.22 0.99 -1.21 0.93 -1.51 0.00 0.00 179.97 178.94 1pun h GLU 53 N 0.04 0.31 -0.66 0.20 4.39 -0.74 -2.76 114.58 115.36 1pun h GLU 53 Ca -0.04 -0.49 0.14 0.00 0.34 0.00 0.00 59.36 59.31 1pun h GLU 53 Cb 1.66 0.18 -0.12 0.00 -0.10 0.00 0.00 28.75 30.38 1pun h GLU 53 CO 0.14 1.22 -0.05 1.25 -1.16 0.00 0.00 179.01 180.41 1pun h LEU 54 N 0.10 -0.40 -0.18 1.33 5.85 0.25 1.99 115.31 124.25 1pun h LEU 54 Ca -0.13 0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1pun h LEU 54 Cb 1.92 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 43.26 1pun h LEU 54 CO 0.20 -0.16 -0.70 -0.61 -0.34 0.00 0.00 178.44 176.83 1pun h GLN 55 N 0.07 0.00 0.00 1.25 4.15 -1.64 -2.42 115.11 116.52 1pun h GLN 55 Ca 0.34 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.70 1pun h GLN 55 Cb 0.56 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1pun h GLN 55 CO -0.61 0.70 -0.29 1.49 -1.93 0.00 0.00 178.83 178.19 1pun h GLU 56 N 0.00 0.00 -0.25 1.69 4.81 -0.03 1.00 114.58 121.81 1pun h GLU 56 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1pun h GLU 56 Cb 1.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.84 1pun h GLU 56 CO 0.09 0.29 0.00 0.39 -0.73 0.00 0.00 179.01 179.05 1pun n GLU 57 N -3.29 1.99 0.00 1.92 -0.58 0.63 0.12 120.64 121.44 1pun n GLU 57 Ca 0.01 -1.82 0.00 0.00 -0.42 0.00 0.00 57.16 54.94 1pun n GLU 57 Cb 0.55 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 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 0.81 0.00 0.00 2.62 0.31 -0.91 -4.10 118.33 117.05 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 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 2.02 0.56 1.83 2.92 0.00 0.35 0.62 105.19 113.49 1pun n GLY 59 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.66 -0.61 -5.35 -1.26 -4.86 119.36 103.61 1pun n ILE 60 Ca 0.00 -0.42 -0.38 0.00 -0.27 0.00 0.00 62.75 61.69 1pun n ILE 60 Cb 0.00 -1.60 -0.08 0.00 -1.74 0.00 0.00 39.64 36.22 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 -2.30 4.01 0.07 7.28 -4.23 -1.26 -4.95 115.64 114.26 1pun s THR 61 Ca 0.36 -3.04 0.04 0.00 -1.18 0.00 0.00 61.69 57.88 1pun s THR 61 Cb -0.02 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 1pun s THR 61 CO 0.26 -0.92 -0.02 -2.16 -0.54 0.00 0.00 174.62 171.24 1pun s PRO 62 N -0.23 2.55 -1.24 3.99 0.04 -1.26 -3.07 135.00 135.78 1pun s PRO 62 Ca 0.19 -0.80 -0.20 0.00 0.04 0.00 0.00 61.00 60.22 1pun s PRO 62 Cb -0.17 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.82 1pun s PRO 62 CO -0.05 0.56 1.84 -0.65 0.04 0.00 0.00 177.00 178.74 1pun s GLN 63 N -2.08 3.23 -0.09 4.56 -0.21 0.15 -4.85 119.66 120.37 1pun s GLN 63 Ca 0.23 -1.58 0.03 0.00 0.02 0.00 0.00 55.36 54.06 1pun s GLN 63 Cb -0.12 -5.39 0.01 0.00 1.00 0.00 0.00 33.01 28.51 1pun s GLN 63 CO 0.15 -3.14 -0.19 -1.58 -2.12 0.00 0.00 175.29 168.42 1pun s HIS 64 N 7.69 2.11 -0.89 0.91 2.46 -1.23 0.11 115.29 126.45 1pun s HIS 64 Ca 0.61 -0.88 0.00 0.00 0.47 0.00 0.00 55.06 55.26 1pun s HIS 64 Cb 0.02 -1.46 0.00 0.00 -0.13 0.00 0.00 32.58 31.00 1pun s HIS 64 CO 0.11 -0.40 0.00 0.34 -2.47 0.00 0.00 174.74 172.32 1pun n PHE 65 N 3.77 0.00 -0.24 3.88 -0.00 -1.26 -4.93 117.46 118.68 1pun n PHE 65 Ca -0.20 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.26 1pun n PHE 65 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 39.99 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 0.53 -1.29 -4.14 -2.13 7.64 -1.26 -3.30 113.62 109.67 1pun n SER 66 Ca 0.00 0.27 -0.34 0.00 1.01 0.00 0.00 58.87 59.81 1pun n SER 66 Cb 0.00 -0.36 -0.15 0.00 -1.01 0.00 0.00 64.21 62.70 1pun n SER 66 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1pun s LEU 67 N -3.92 3.21 0.09 -3.43 0.20 -1.26 0.19 118.68 113.75 1pun s LEU 67 Ca 0.00 -1.06 -0.12 0.00 0.69 0.00 0.00 54.13 53.64 1pun s LEU 67 Cb 0.00 -1.61 -0.19 0.00 -0.43 0.00 0.00 46.19 43.96 1pun s LEU 67 CO 0.00 -0.15 1.24 0.15 -0.29 0.00 0.00 176.35 177.31 1pun h PHE 68 N 7.93 1.00 -1.77 5.38 3.04 -1.46 -3.43 116.94 127.63 1pun h PHE 68 Ca -0.29 -0.51 0.18 0.00 3.98 0.00 0.00 57.97 61.33 1pun h PHE 68 Cb 1.09 -0.13 -0.18 0.00 2.56 0.00 0.00 35.95 39.28 1pun h PHE 68 CO 0.58 1.34 0.67 -2.00 -2.02 0.00 0.00 178.31 176.88 1pun s GLU 69 N -3.44 0.52 -0.06 1.11 2.12 -1.19 -5.01 118.70 112.76 1pun s GLU 69 Ca -0.09 -0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.06 1pun s GLU 69 Cb 0.08 0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.74 1pun s GLU 69 CO 0.91 -0.22 0.14 -1.59 -0.54 0.00 0.00 175.26 173.96 1pun s LYS 70 N -2.44 0.10 -0.34 4.30 0.00 -1.26 0.16 119.74 120.27 1pun s LYS 70 Ca 0.06 0.31 -0.14 0.00 0.00 0.00 0.00 55.97 56.20 1pun s LYS 70 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 37.83 37.69 1pun s LYS 70 CO -0.06 -0.12 0.31 -1.17 0.00 0.00 0.00 175.35 174.31 1pun s LEU 71 N 0.86 4.43 -0.32 2.77 2.96 0.56 -4.92 118.68 125.03 1pun s LEU 71 Ca -0.07 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1pun s LEU 71 Cb -0.09 -2.26 0.06 0.00 0.50 0.00 0.00 46.19 44.40 1pun s LEU 71 CO -0.04 -0.28 0.03 -0.70 -1.32 0.00 0.00 176.35 174.04 1pun s GLU 72 N 1.91 2.37 -0.04 1.98 2.12 -1.26 -0.66 118.70 125.12 1pun s GLU 72 Ca 0.10 -1.34 -0.03 0.00 0.36 0.00 0.00 54.97 54.06 1pun s GLU 72 Cb -0.17 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 30.99 1pun s GLU 72 CO 0.11 -0.68 0.09 -0.47 -0.54 0.00 0.00 175.26 173.77 1pun s TYR 73 N 1.24 -0.09 -0.17 5.30 5.04 -1.14 -5.08 117.35 122.45 1pun s TYR 73 Ca -0.03 0.26 -0.00 0.00 -2.44 0.00 0.00 57.07 54.86 1pun s TYR 73 Cb -0.20 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.09 1pun s TYR 73 CO -0.01 -0.07 -0.15 -1.83 -1.34 0.00 0.00 175.55 172.15 1pun s GLU 74 N 0.37 3.18 0.40 4.97 -1.05 -1.26 -1.41 118.70 123.90 1pun s GLU 74 Ca -0.03 -0.75 0.01 0.00 -0.15 0.00 0.00 54.97 54.06 1pun s GLU 74 Cb -0.04 -2.67 -0.01 0.00 -0.44 0.00 0.00 34.13 30.97 1pun s GLU 74 CO -0.01 -0.07 0.60 -0.06 0.95 0.00 0.00 175.26 176.66 1pun s PHE 75 N 1.04 3.29 -0.03 4.83 0.08 -0.75 -4.88 117.98 121.56 1pun s PHE 75 Ca -0.01 0.18 -0.00 0.00 0.12 0.00 0.00 56.93 57.22 1pun s PHE 75 Cb -0.15 -2.13 -0.01 0.00 -0.57 0.00 0.00 43.02 40.17 1pun s PHE 75 CO -0.04 -0.15 0.77 -2.30 -0.10 0.00 0.00 175.22 173.41 1pun n PRO 76 N -1.91 0.00 0.00 0.24 -0.01 -1.26 -1.46 135.00 130.60 1pun n PRO 76 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.48 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 -3.47 -0.01 0.00 0.00 175.50 172.02 1pun n ASP 77 N 3.37 0.00 -4.49 2.55 2.03 -1.26 -4.93 116.55 113.82 1pun n ASP 77 Ca 0.02 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.90 1pun n ASP 77 Cb 0.36 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.73 1pun n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1pun s ARG 78 N 0.00 3.19 0.26 -0.67 3.52 -0.54 -2.40 118.95 122.32 1pun s ARG 78 Ca 0.00 -0.56 -0.04 0.00 -0.13 0.00 0.00 55.73 55.00 1pun s ARG 78 Cb 0.00 -4.17 -0.05 0.00 -1.56 0.00 0.00 34.95 29.17 1pun s ARG 78 CO 0.00 -1.78 0.51 -1.58 -0.81 0.00 0.00 175.30 171.64 1pun s HIS 79 N 4.34 3.47 0.02 5.12 5.65 -0.12 -1.81 115.29 131.97 1pun s HIS 79 Ca 0.27 0.59 0.05 0.00 0.25 0.00 0.00 55.06 56.22 1pun s HIS 79 Cb -0.14 -2.06 -0.02 0.00 -1.18 0.00 0.00 32.58 29.18 1pun s HIS 79 CO 0.14 0.23 -0.16 -1.50 -0.65 0.00 0.00 174.74 172.80 1pun s ILE 80 N -2.01 1.26 -0.09 0.89 2.07 -0.50 -0.28 121.20 122.54 1pun s ILE 80 Ca 0.43 -0.91 -0.01 0.00 -1.41 0.00 0.00 60.65 58.75 1pun s ILE 80 Cb -0.11 -1.10 0.03 0.00 0.13 0.00 0.00 42.46 41.42 1pun s ILE 80 CO 0.29 0.18 -0.00 0.42 -1.91 0.00 0.00 174.94 173.92 1pun s THR 81 N -0.65 0.46 -0.25 4.00 -4.23 0.14 -2.88 115.64 112.23 1pun s THR 81 Ca 0.04 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1pun s THR 81 Cb -0.07 -0.66 0.03 0.00 1.34 0.00 0.00 72.50 73.14 1pun s THR 81 CO 0.01 0.20 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.45 1pun s LEU 82 N 1.93 3.22 -0.22 4.79 1.43 0.17 0.17 118.68 130.17 1pun s LEU 82 Ca 0.04 -0.97 -0.06 0.00 -1.03 0.00 0.00 54.13 52.11 1pun s LEU 82 Cb -0.13 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1pun s LEU 82 CO -0.06 -0.14 0.03 0.26 0.23 0.00 0.00 176.35 176.67 1pun s TRP 83 N 1.29 3.07 -0.19 0.29 0.52 0.13 0.21 118.94 124.25 1pun s TRP 83 Ca -0.01 -0.44 -0.09 0.00 0.02 0.00 0.00 56.10 55.58 1pun s TRP 83 Cb -0.17 -2.15 -0.05 0.00 -1.15 0.00 0.00 33.47 29.95 1pun s TRP 83 CO -0.05 -0.28 0.12 -0.06 0.02 0.00 0.00 176.95 176.70 1pun s PHE 84 N 1.23 3.39 -0.25 -1.98 0.40 0.43 0.15 117.98 121.35 1pun s PHE 84 Ca 0.04 0.29 -0.07 0.00 -0.60 0.00 0.00 56.93 56.59 1pun s PHE 84 Cb -0.15 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 1pun s PHE 84 CO 0.02 0.28 0.06 -1.58 0.70 0.00 0.00 175.22 174.70 1pun s TRP 85 N 0.32 3.07 -0.77 0.36 0.52 0.40 -1.28 118.94 121.57 1pun s TRP 85 Ca 0.07 -0.48 -0.26 0.00 0.02 0.00 0.00 56.10 55.45 1pun s TRP 85 Cb -0.11 -2.22 0.03 0.00 -1.15 0.00 0.00 33.47 30.01 1pun s TRP 85 CO -0.02 -0.38 1.36 -1.17 0.02 0.00 0.00 176.95 176.77 1pun s LEU 86 N 1.59 3.22 0.44 2.99 1.98 0.49 -3.17 118.68 126.22 1pun s LEU 86 Ca 0.06 -0.53 -0.23 0.00 -2.89 0.00 0.00 54.13 50.54 1pun s LEU 86 Cb -0.15 -2.56 -0.08 0.00 0.66 0.00 0.00 46.19 44.06 1pun s LEU 86 CO 0.03 -1.85 1.09 -0.69 -1.89 0.00 0.00 176.35 173.04 1pun s VAL 87 N 5.97 3.52 -0.09 1.68 1.01 -1.12 -4.05 120.40 127.33 1pun s VAL 87 Ca 0.40 1.11 0.05 0.00 0.00 0.00 0.00 61.98 63.54 1pun s VAL 87 Cb -0.07 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 1pun s VAL 87 CO 0.12 -0.04 -0.01 -0.62 0.00 0.00 0.00 175.10 174.54 1pun n GLU 88 N -0.39 1.95 -3.63 2.72 1.02 -0.70 -3.84 120.64 117.76 1pun n GLU 88 Ca 0.07 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.14 1pun n GLU 88 Cb 0.50 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.69 1pun n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1pun s ARG 89 N -2.20 1.29 -0.16 3.49 6.06 0.30 -4.12 118.95 123.60 1pun s ARG 89 Ca -0.07 -0.61 -0.08 0.00 -2.50 0.00 0.00 55.73 52.47 1pun s ARG 89 Cb 0.03 0.50 0.07 0.00 0.06 0.00 0.00 34.95 35.61 1pun s ARG 89 CO 0.31 -0.58 0.38 1.67 -2.50 0.00 0.00 175.30 174.57 1pun s TRP 90 N -3.54 -0.60 0.41 5.12 -2.14 -1.20 0.35 118.94 117.33 1pun s TRP 90 Ca 0.07 1.25 -0.23 0.00 2.66 0.00 0.00 56.10 59.86 1pun s TRP 90 Cb -0.02 0.22 -0.10 0.00 -3.10 0.00 0.00 33.47 30.46 1pun s TRP 90 CO -0.03 -0.37 0.99 -2.00 -2.66 0.00 0.00 176.95 172.88 1pun s GLU 91 N 1.80 4.21 7.11 3.25 2.56 -1.17 -4.81 118.70 131.64 1pun s GLU 91 Ca -0.06 1.30 0.00 0.00 0.00 0.00 0.00 54.97 56.21 1pun s GLU 91 Cb -0.10 -2.38 0.00 0.00 2.00 0.00 0.00 34.13 33.65 1pun s GLU 91 CO -0.12 -0.07 0.00 0.41 -0.56 0.00 0.00 175.26 174.93 1pun n GLY 92 N -0.09 3.81 3.17 -1.50 0.00 -1.26 -4.56 105.19 104.76 1pun n GLY 92 Ca 0.06 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 1.42 0.01 1.61 2.12 -1.26 -5.12 118.70 117.48 1pun s GLU 93 Ca 0.00 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 1pun s GLU 93 Cb 0.00 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.97 1pun s GLU 93 CO 0.00 0.38 1.13 -2.14 -0.54 0.00 0.00 175.26 174.09 1pun s PRO 94 N -0.45 4.45 0.17 4.30 0.02 -1.26 -4.63 135.00 137.60 1pun s PRO 94 Ca 0.07 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.72 1pun s PRO 94 Cb -0.07 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.02 1pun s PRO 94 CO -0.01 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.75 1pun n TRP 95 N 4.24 -1.28 0.00 6.54 4.27 0.11 -5.00 117.44 126.32 1pun n TRP 95 Ca 0.09 0.23 0.00 0.00 -3.89 0.00 0.00 57.50 53.92 1pun n TRP 95 Cb 0.48 0.37 0.00 0.00 -1.36 0.00 0.00 31.31 30.80 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 2.21 0.57 0.00 -1.67 0.00 0.20 -3.70 105.19 102.80 1pun n GLY 96 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.06 1.61 3.00 0.33 -4.70 118.16 118.34 1pun n LYS 97 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1pun n LYS 97 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.91 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 -0.00 0.00 1.64 4.11 -1.72 -3.44 114.58 115.16 1pun h GLU 98 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1pun h GLU 98 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pun h GLU 98 CO 0.00 0.90 0.00 0.41 0.07 0.00 0.00 179.01 180.39 1pun n GLY 99 N 1.53 -0.86 3.65 1.06 0.00 -1.26 -4.98 105.19 104.34 1pun n GLY 99 Ca -0.09 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.64 4.16 -0.15 1.61 -0.21 -1.26 -4.95 119.66 118.22 1pun s GLN 100 Ca 0.00 1.53 -0.41 0.00 0.02 0.00 0.00 55.36 56.50 1pun s GLN 100 Cb 0.00 -3.78 -0.18 0.00 1.00 0.00 0.00 33.01 30.05 1pun s GLN 100 CO 0.00 -0.80 1.38 -2.30 -2.12 0.00 0.00 175.29 171.45 1pun n PRO 101 N 6.75 0.49 -3.72 2.91 -0.02 -1.26 -3.88 135.00 136.26 1pun n PRO 101 Ca 0.14 0.18 -0.25 0.00 -2.02 0.00 0.00 63.50 61.55 1pun n PRO 101 Cb 0.45 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 1.45 2.25 0.21 -1.23 0.00 -1.26 -4.42 107.32 104.32 1pun s GLY 102 Ca 0.94 -1.47 0.07 0.00 0.00 0.00 0.00 44.72 44.26 1pun s GLY 102 CO 0.62 -1.88 0.08 1.85 0.00 0.00 0.00 173.10 173.77 1pun s GLU 103 N -4.33 2.64 -0.36 2.90 2.12 -1.24 -4.79 118.70 115.64 1pun s GLU 103 Ca 0.40 -1.10 -0.28 0.00 0.36 0.00 0.00 54.97 54.36 1pun s GLU 103 Cb -0.03 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 1pun s GLU 103 CO 0.25 0.43 2.07 -1.58 -0.54 0.00 0.00 175.26 175.89 1pun s TRP 104 N -1.96 1.42 0.09 5.30 0.51 -1.26 -3.33 118.94 119.71 1pun s TRP 104 Ca 0.30 0.81 0.10 0.00 -2.12 0.00 0.00 56.10 55.19 1pun s TRP 104 Cb -0.09 -3.95 -0.03 0.00 -0.81 0.00 0.00 33.47 28.59 1pun s TRP 104 CO 0.22 -3.16 -0.27 0.00 -0.51 0.00 0.00 176.95 173.23 1pun s MET 105 N 6.60 1.57 -0.12 4.98 0.23 -1.09 -4.84 119.30 126.63 1pun s MET 105 Ca 0.89 -1.24 -0.29 0.00 -1.03 0.00 0.00 55.69 54.02 1pun s MET 105 Cb -0.24 -1.92 -0.04 0.00 -1.53 0.00 0.00 34.83 31.10 1pun s MET 105 CO 0.31 0.47 1.62 0.45 -2.03 0.00 0.00 175.02 175.85 1pun s SER 106 N -1.68 6.56 0.45 -1.18 0.15 -1.26 0.98 113.70 117.72 1pun s SER 106 Ca 0.13 1.97 0.31 0.00 0.70 0.00 0.00 55.95 59.06 1pun s SER 106 Cb -0.10 -2.53 1.29 0.00 -1.71 0.00 0.00 66.02 62.97 1pun s SER 106 CO 0.04 -1.05 1.91 0.25 1.20 0.00 0.00 173.24 175.59 1pun h LEU 107 N 10.81 0.00 -1.25 3.45 7.12 -1.87 -3.18 115.31 130.39 1pun h LEU 107 Ca -0.36 0.00 0.05 0.00 0.13 0.00 0.00 57.88 57.70 1pun h LEU 107 Cb 1.16 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.29 1pun h LEU 107 CO 0.97 0.00 0.67 1.62 -0.13 0.00 0.00 178.44 181.57 1pun h VAL 108 N 0.00 0.05 -1.10 1.05 3.04 -1.91 -2.44 116.25 114.94 1pun h VAL 108 Ca 0.00 0.00 -0.37 0.00 -1.01 0.00 0.00 66.70 65.32 1pun h VAL 108 Cb 0.42 0.37 -0.32 0.00 -2.01 0.00 0.00 31.29 29.75 1pun h VAL 108 CO 0.00 0.00 -0.96 0.61 -1.01 0.00 0.00 177.57 176.21 1pun n GLY 109 N -1.41 2.17 3.74 3.17 0.00 -1.20 -5.13 105.19 106.54 1pun n GLY 109 Ca 0.03 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.70 3.58 -0.29 0.99 0.20 -0.92 -5.00 118.68 114.53 1pun s LEU 110 Ca 0.31 2.49 -0.05 0.00 0.69 0.00 0.00 54.13 57.57 1pun s LEU 110 Cb 0.38 -4.61 0.02 0.00 -0.43 0.00 0.00 46.19 41.56 1pun s LEU 110 CO -0.04 -1.86 0.04 0.20 -0.29 0.00 0.00 176.35 174.40 1pun s ASN 111 N -1.56 4.93 0.31 3.68 0.02 -1.26 -4.81 114.94 116.24 1pun s ASN 111 Ca 0.79 -0.91 0.26 0.00 -1.02 0.00 0.00 52.86 51.98 1pun s ASN 111 Cb -0.33 -1.80 0.99 0.00 0.02 0.00 0.00 41.25 40.13 1pun s ASN 111 CO 0.37 -0.21 1.77 0.00 0.02 0.00 0.00 177.10 179.05 1pun h ALA 112 N 8.14 1.00 0.10 0.60 0.00 -1.90 -2.86 119.26 124.35 1pun h ALA 112 Ca -0.29 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1pun h ALA 112 Cb 1.10 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.91 1pun h ALA 112 CO 0.59 0.00 -0.72 0.38 0.00 0.00 0.00 179.25 179.50 1pun h ASP 113 N 0.00 0.46 0.94 0.00 2.03 -1.95 -3.27 116.42 114.62 1pun h ASP 113 Ca 0.00 -0.91 0.00 0.00 -0.73 0.00 0.00 57.03 55.39 1pun h ASP 113 Cb 0.48 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 1pun h ASP 113 CO 0.00 1.33 0.00 0.47 -1.03 0.00 0.00 179.24 180.01 1pun n ASP 114 N -4.18 0.50 -4.87 4.15 8.00 -1.17 -4.79 116.55 114.20 1pun n ASP 114 Ca -0.13 0.59 -0.21 0.00 0.71 0.00 0.00 54.79 55.75 1pun n ASP 114 Cb 0.77 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 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 -3.16 3.04 0.20 1.24 -0.71 -1.09 -2.18 117.98 115.32 1pun s PHE 115 Ca 0.08 -0.21 -0.33 0.00 -1.04 0.00 0.00 56.93 55.43 1pun s PHE 115 Cb 0.11 -1.69 -0.14 0.00 -1.21 0.00 0.00 43.02 40.10 1pun s PHE 115 CO 0.45 0.27 1.49 -0.35 -1.34 0.00 0.00 175.22 175.74 1pun n PRO 116 N -1.36 2.08 0.14 1.99 -0.04 -0.80 -4.82 135.00 132.19 1pun n PRO 116 Ca -0.04 0.74 0.12 0.00 -0.04 0.00 0.00 63.50 64.28 1pun n PRO 116 Cb 0.59 -2.45 0.51 0.00 -0.04 0.00 0.00 33.50 32.11 1pun n PRO 116 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1pun n PRO 117 N 2.66 0.18 0.28 0.54 -0.04 -1.26 -2.57 135.00 134.78 1pun n PRO 117 Ca 0.14 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 1pun n PRO 117 Cb 0.30 -1.89 0.80 0.00 -0.04 0.00 0.00 33.50 32.67 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 2.19 1.43 -0.16 0.55 0.00 -1.97 -1.70 119.26 119.60 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 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pun h ALA 118 CO 0.00 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.42 1pun n ASN 119 N -3.79 2.42 -0.21 0.00 3.02 -1.06 -4.63 115.26 111.01 1pun n ASN 119 Ca -0.02 -1.70 0.11 0.00 -0.03 0.00 0.00 54.58 52.93 1pun n ASN 119 Cb 0.16 -0.10 0.40 0.00 -0.61 0.00 0.00 39.78 39.64 1pun n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1pun h GLU 120 N 2.37 0.62 -0.77 3.52 4.81 -1.36 -3.06 114.58 120.72 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 0.61 -0.14 -0.15 0.00 0.63 0.00 0.00 28.75 29.70 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 -1.82 1.63 132.00 133.47 1pun h PRO 121 Ca 0.38 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 1pun h PRO 121 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1pun h PRO 121 CO -0.15 -0.01 -0.01 0.28 -0.21 0.00 0.00 178.00 177.90 1pun h VAL 122 N -0.02 1.20 -0.03 3.15 2.07 -1.92 -3.32 116.25 117.38 1pun h VAL 122 Ca 0.36 -1.82 0.01 0.00 0.82 0.00 0.00 66.70 66.07 1pun h VAL 122 Cb 0.57 2.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1pun h VAL 122 CO -0.80 0.39 0.02 0.40 0.02 0.00 0.00 177.57 177.60 1pun h ILE 123 N -0.97 0.87 -0.09 4.57 1.08 -1.44 -2.11 117.51 119.41 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 0.66 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 1pun h ILE 123 CO 0.00 0.00 -0.09 0.00 -0.69 0.00 0.00 178.15 177.38 1pun h ALA 124 N 1.98 -0.02 -0.43 1.87 0.00 0.23 1.91 119.26 124.80 1pun h ALA 124 Ca 0.01 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1pun h ALA 124 Cb 0.05 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1pun h ALA 124 CO -0.00 -0.55 0.07 -0.22 0.00 0.00 0.00 179.25 178.55 1pun h LYS 125 N -0.11 0.19 0.00 0.00 3.64 -1.48 0.32 116.57 119.14 1pun h LYS 125 Ca 0.07 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1pun h LYS 125 Cb 0.20 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1pun h LYS 125 CO -0.15 0.12 -0.00 1.25 -2.27 0.00 0.00 179.45 178.40 1pun h LEU 126 N 0.19 -0.00 -1.09 5.20 5.85 -1.46 -3.32 115.31 120.68 1pun h LEU 126 Ca 0.21 -0.91 0.20 0.00 0.84 0.00 0.00 57.88 58.23 1pun h LEU 126 Cb 0.28 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.21 1pun h LEU 126 CO -0.30 0.91 0.61 0.50 -0.34 0.00 0.00 178.44 179.83 1pun h LYS 127 N -0.91 0.67 0.00 1.25 3.64 0.31 1.20 116.57 122.73 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 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1pun h LYS 127 CO 0.00 0.44 0.00 -2.13 -2.27 0.00 0.00 179.45 175.49 1pun n ARG 128 N -4.73 0.03 0.00 1.90 0.63 0.11 -5.00 116.66 109.60 1pun n ARG 128 Ca 0.23 0.34 0.15 0.00 -0.92 0.00 0.00 57.85 57.66 1pun n ARG 128 Cb 0.62 -1.50 0.89 0.00 0.45 0.00 0.00 32.46 32.92 1pun n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59