#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 3.53 -0.00 0.03 2.36 -1.22 -4.99 119.74 119.44 1pun s LYS 2 Ca 0.00 0.23 -0.00 0.00 -2.55 0.00 0.00 55.97 53.65 1pun s LYS 2 Cb 0.00 -3.99 0.00 0.00 -1.05 0.00 0.00 37.83 32.79 1pun s LYS 2 CO 0.00 -1.57 0.01 -1.59 1.55 0.00 0.00 175.35 173.75 1pun s LYS 3 N 4.65 0.00 -0.15 4.03 -2.85 -1.25 0.34 119.74 124.51 1pun s LYS 3 Ca 0.42 0.03 -0.05 0.00 -1.00 0.00 0.00 55.97 55.37 1pun s LYS 3 Cb -0.08 -0.02 0.07 0.00 -2.06 0.00 0.00 37.83 35.74 1pun s LYS 3 CO 0.26 -0.02 0.29 -0.48 0.10 0.00 0.00 175.35 175.50 1pun s LEU 4 N 0.11 -0.36 0.14 2.77 0.05 0.22 -4.96 118.68 116.67 1pun s LEU 4 Ca -0.01 0.60 0.03 0.00 0.05 0.00 0.00 54.13 54.80 1pun s LEU 4 Cb -0.01 0.80 -0.04 0.00 -2.05 0.00 0.00 46.19 44.89 1pun s LEU 4 CO -0.00 -0.25 0.21 -1.10 -0.55 0.00 0.00 176.35 174.67 1pun s GLN 5 N 2.45 3.22 -0.05 1.48 -0.21 -1.26 -1.94 119.66 123.35 1pun s GLN 5 Ca 0.02 -0.68 -0.05 0.00 0.02 0.00 0.00 55.36 54.66 1pun s GLN 5 Cb -0.12 -2.85 0.01 0.00 1.00 0.00 0.00 33.01 31.05 1pun s GLN 5 CO -0.10 0.52 0.15 0.42 -2.12 0.00 0.00 175.29 174.16 1pun s ILE 6 N -1.70 0.00 -0.10 1.08 1.01 0.36 -3.80 121.20 118.06 1pun s ILE 6 Ca 0.33 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.96 1pun s ILE 6 Cb -0.11 -0.22 0.02 0.00 0.01 0.00 0.00 42.46 42.16 1pun s ILE 6 CO 0.26 -0.02 -0.12 0.00 0.00 0.00 0.00 174.94 175.06 1pun s ALA 7 N 0.01 1.50 0.09 9.38 0.00 -1.21 0.46 121.76 131.99 1pun s ALA 7 Ca -0.01 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1pun s ALA 7 Cb -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1pun s ALA 7 CO 0.00 -0.13 -0.09 0.14 0.00 0.00 0.00 175.76 175.68 1pun s VAL 8 N 1.11 0.87 -0.04 0.00 -7.23 0.30 -3.69 120.40 111.73 1pun s VAL 8 Ca -0.05 -1.65 -0.07 0.00 -1.81 0.00 0.00 61.98 58.40 1pun s VAL 8 Cb -0.14 -1.35 0.01 0.00 0.56 0.00 0.00 36.38 35.45 1pun s VAL 8 CO -0.02 -0.60 0.17 -0.83 -0.31 0.00 0.00 175.10 173.51 1pun s GLY 9 N -2.48 -0.06 -0.24 2.32 0.00 -0.94 0.11 107.32 106.02 1pun s GLY 9 Ca 0.05 0.24 -0.17 0.00 0.00 0.00 0.00 44.72 44.85 1pun s GLY 9 CO -0.01 0.14 0.45 -0.26 0.00 0.00 0.00 173.10 173.42 1pun s ILE 10 N -0.59 5.13 -0.44 0.90 -5.25 -1.21 -3.71 121.20 116.04 1pun s ILE 10 Ca -0.07 0.76 -0.29 0.00 -0.99 0.00 0.00 60.65 60.06 1pun s ILE 10 Cb -0.04 -3.77 0.03 0.00 2.95 0.00 0.00 42.46 41.63 1pun s ILE 10 CO 0.01 0.15 1.14 -0.63 -1.79 0.00 0.00 174.94 173.82 1pun s ILE 11 N 1.95 4.26 0.44 8.37 1.01 -1.26 -2.87 121.20 133.10 1pun s ILE 11 Ca 0.19 1.34 -0.18 0.00 0.00 0.00 0.00 60.65 61.99 1pun s ILE 11 Cb -0.15 -4.54 -0.10 0.00 0.01 0.00 0.00 42.46 37.68 1pun s ILE 11 CO 0.09 -0.87 0.93 -0.13 0.00 0.00 0.00 174.94 174.96 1pun s ARG 12 N 4.28 4.10 0.15 2.79 1.81 -1.24 -1.68 118.95 129.15 1pun s ARG 12 Ca 0.48 0.99 0.02 0.00 -1.72 0.00 0.00 55.73 55.49 1pun s ARG 12 Cb -0.09 -2.20 -0.01 0.00 -0.45 0.00 0.00 34.95 32.20 1pun s ARG 12 CO 0.28 -0.08 0.06 -1.71 -0.68 0.00 0.00 175.30 173.17 1pun n ASN 13 N -0.93 0.88 0.06 0.23 4.05 -1.01 -3.06 115.26 115.48 1pun n ASN 13 Ca 0.06 -1.82 -0.11 0.00 0.45 0.00 0.00 54.58 53.17 1pun n ASN 13 Cb 0.54 0.42 -0.04 0.00 1.23 0.00 0.00 39.78 41.92 1pun n ASN 13 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1pun h GLU 14 N 0.00 -0.33 0.00 1.20 4.22 -1.88 -1.86 114.58 115.93 1pun h GLU 14 Ca -0.12 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1pun h GLU 14 Cb 0.46 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1pun h GLU 14 CO 0.18 -0.22 0.00 -1.71 -2.18 0.00 0.00 179.01 175.08 1pun n ASN 15 N -5.34 0.00 0.00 1.04 2.85 -1.26 -4.84 115.26 107.70 1pun n ASN 15 Ca -0.05 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 1pun n ASN 15 Cb 0.26 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 40.88 1pun n ASN 15 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1pun n ASN 16 N -1.40 -2.07 -4.59 1.20 2.04 -0.70 -5.05 115.26 104.69 1pun n ASN 16 Ca 0.06 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.86 1pun n ASN 16 Cb 0.17 -0.35 -0.11 0.00 -2.53 0.00 0.00 39.78 36.97 1pun n ASN 16 CO 0.00 0.00 0.00 -1.83 -0.44 0.00 0.00 177.26 174.99 1pun s GLU 17 N -0.94 3.04 -0.28 -3.83 -1.05 -1.26 -4.63 118.70 109.76 1pun s GLU 17 Ca 0.00 -0.50 -0.10 0.00 -0.15 0.00 0.00 54.97 54.22 1pun s GLU 17 Cb 0.00 -2.73 -0.04 0.00 -0.44 0.00 0.00 34.13 30.93 1pun s GLU 17 CO 0.00 0.57 0.15 0.96 0.95 0.00 0.00 175.26 177.89 1pun s ILE 18 N -0.54 4.91 -0.64 1.83 -5.25 0.30 -2.39 121.20 119.41 1pun s ILE 18 Ca 0.08 -0.02 -0.26 0.00 -0.99 0.00 0.00 60.65 59.47 1pun s ILE 18 Cb -0.12 -3.35 -0.08 0.00 2.95 0.00 0.00 42.46 41.85 1pun s ILE 18 CO 0.02 0.25 2.30 0.12 -1.79 0.00 0.00 174.94 175.84 1pun s PHE 19 N 1.70 1.23 -0.04 1.37 2.19 -0.68 -2.71 117.98 121.04 1pun s PHE 19 Ca 0.07 1.53 0.00 0.00 0.33 0.00 0.00 56.93 58.86 1pun s PHE 19 Cb -0.16 -3.64 -0.03 0.00 -1.31 0.00 0.00 43.02 37.88 1pun s PHE 19 CO 0.08 -2.11 -0.00 0.96 1.83 0.00 0.00 175.22 175.98 1pun s ILE 20 N 12.52 4.20 -0.32 3.12 -4.36 -1.14 -4.48 121.20 130.73 1pun s ILE 20 Ca 0.90 -0.44 -0.29 0.00 -0.26 0.00 0.00 60.65 60.56 1pun s ILE 20 Cb -0.14 -2.82 -0.01 0.00 1.25 0.00 0.00 42.46 40.74 1pun s ILE 20 CO 0.17 0.49 1.64 0.42 0.24 0.00 0.00 174.94 177.89 1pun s THR 21 N -0.99 3.66 -0.01 8.37 -4.23 -0.93 -2.95 115.64 118.56 1pun s THR 21 Ca 0.17 0.69 0.03 0.00 -1.18 0.00 0.00 61.69 61.40 1pun s THR 21 Cb -0.11 -3.83 -0.00 0.00 1.34 0.00 0.00 72.50 69.90 1pun s THR 21 CO 0.06 -0.48 -0.10 0.00 -0.54 0.00 0.00 174.62 173.57 1pun s ARG 22 N 5.19 0.84 -0.18 3.99 1.70 -1.25 -2.17 118.95 127.06 1pun s ARG 22 Ca 0.72 -0.34 -0.02 0.00 -0.47 0.00 0.00 55.73 55.62 1pun s ARG 22 Cb -0.20 -0.81 0.02 0.00 -0.57 0.00 0.00 34.95 33.39 1pun s ARG 22 CO 0.32 0.18 0.06 0.54 -1.08 0.00 0.00 175.30 175.32 1pun n ARG 23 N 2.98 -2.78 0.00 3.89 1.74 -1.26 -4.55 116.66 116.68 1pun n ARG 23 Ca -0.15 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1pun n ARG 23 Cb 0.56 -4.50 0.00 0.00 -1.02 0.00 0.00 32.46 27.50 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 -2.64 0.00 0.12 7.54 0.00 -1.26 -3.76 120.51 120.51 1pun n ALA 24 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 1pun n ALA 24 Cb 0.49 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.05 1pun n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pun h ALA 25 N -0.50 0.84 0.00 0.00 0.00 -1.80 -3.45 119.26 114.35 1pun h ALA 25 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1pun h ALA 25 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pun h ALA 25 CO 0.00 0.87 0.00 -0.25 0.00 0.00 0.00 179.25 179.87 1pun n ASP 26 N -3.70 -1.26 -3.38 0.00 9.92 -1.25 -5.10 116.55 111.78 1pun n ASP 26 Ca -0.01 0.34 -0.12 0.00 -0.53 0.00 0.00 54.79 54.48 1pun n ASP 26 Cb 0.69 1.38 -0.09 0.00 -0.64 0.00 0.00 41.12 42.46 1pun n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pun s ALA 27 N -2.00 -0.89 -0.31 2.24 0.00 -1.26 -5.06 121.76 114.49 1pun s ALA 27 Ca 0.00 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.54 1pun s ALA 27 Cb 0.00 -1.63 0.23 0.00 0.00 0.00 0.00 23.12 21.72 1pun s ALA 27 CO 0.00 -1.30 1.20 1.58 0.00 0.00 0.00 175.76 177.24 1pun n HIS 28 N 5.35 -0.12 -2.14 0.00 -0.00 -1.26 -4.99 115.22 112.07 1pun n HIS 28 Ca -0.04 -0.53 -0.01 0.00 -0.00 0.00 0.00 57.72 57.14 1pun n HIS 28 Cb 0.50 1.02 -0.01 0.00 -0.00 0.00 0.00 29.99 31.50 1pun n HIS 28 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1pun n MET 29 N 2.28 -4.12 0.18 1.57 0.00 -1.26 -4.14 117.12 111.63 1pun n MET 29 Ca 0.08 3.10 0.10 0.00 -0.00 0.00 0.00 57.70 60.99 1pun n MET 29 Cb 0.68 -3.98 0.11 0.00 0.00 0.00 0.00 33.22 30.03 1pun n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pun h ALA 30 N 3.41 0.85 -0.78 -5.12 0.00 -1.91 -3.28 119.26 112.44 1pun h ALA 30 Ca -0.08 -0.08 -0.42 0.00 0.00 0.00 0.00 54.91 54.33 1pun h ALA 30 Cb 0.18 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.72 1pun h ALA 30 CO 0.00 0.10 0.53 0.09 0.00 0.00 0.00 179.25 179.98 1pun n ASN 31 N -3.02 3.98 -0.93 0.00 4.13 -1.25 -4.24 115.26 113.94 1pun n ASN 31 Ca 0.03 -3.28 0.01 0.00 1.68 0.00 0.00 54.58 53.01 1pun n ASN 31 Cb 0.57 -0.79 0.21 0.00 -1.54 0.00 0.00 39.78 38.22 1pun n ASN 31 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1pun n LYS 32 N -0.74 1.99 -0.48 3.52 3.00 -1.02 -2.03 118.16 122.39 1pun n LYS 32 Ca 0.47 -3.06 -0.19 0.00 -0.00 0.00 0.00 58.31 55.52 1pun n LYS 32 Cb 1.33 -1.77 -0.03 0.00 0.00 0.00 0.00 35.03 34.57 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 -1.03 2.48 -4.90 3.14 0.00 -0.21 -4.59 117.00 111.90 1pun n LEU 33 Ca 0.27 -2.01 -0.25 0.00 0.00 0.00 0.00 56.01 54.03 1pun n LEU 33 Cb 0.93 -0.80 -0.01 0.00 0.00 0.00 0.00 43.42 43.54 1pun n LEU 33 CO 0.14 -0.54 0.05 -0.70 0.00 0.00 0.00 177.39 176.34 1pun s GLU 34 N 4.66 2.30 0.39 1.96 -6.30 -0.92 -4.32 118.70 116.46 1pun s GLU 34 Ca 0.30 -1.91 0.08 0.00 -2.50 0.00 0.00 54.97 50.95 1pun s GLU 34 Cb 0.07 -2.18 -0.07 0.00 0.00 0.00 0.00 34.13 31.96 1pun s GLU 34 CO 0.05 -0.54 -0.03 -0.06 0.02 0.00 0.00 175.26 174.70 1pun s PHE 35 N -2.71 2.48 1.10 5.30 0.40 -1.26 -2.19 117.98 121.11 1pun s PHE 35 Ca 0.39 -0.61 -0.16 0.00 -0.60 0.00 0.00 56.93 55.95 1pun s PHE 35 Cb -0.02 -1.64 0.15 0.00 0.51 0.00 0.00 43.02 42.01 1pun s PHE 35 CO 0.24 0.49 0.37 -0.35 0.70 0.00 0.00 175.22 176.67 1pun n PRO 36 N -0.91 -1.60 0.00 0.24 -0.04 -1.24 -4.73 135.00 126.72 1pun n PRO 36 Ca -0.05 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1pun n PRO 36 Cb 0.66 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 1.62 0.85 2.78 0.55 0.00 -1.24 -2.23 105.19 107.52 1pun n GLY 37 Ca 0.03 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 1pun n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pun s GLY 38 N -1.80 0.61 0.00 -0.02 0.00 -1.24 -3.35 107.32 101.51 1pun s GLY 38 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.34 1pun s GLY 38 CO 0.00 1.18 0.00 1.17 0.00 0.00 0.00 173.10 175.45 1pun n LYS 39 N 5.08 0.00 0.00 2.90 3.00 -1.26 -5.00 118.16 122.88 1pun n LYS 39 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1pun n LYS 39 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 1pun n LYS 39 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1pun n ILE 40 N -0.34 0.00 0.00 3.15 3.06 -1.26 -3.37 119.36 120.60 1pun n ILE 40 Ca 0.00 1.31 0.00 0.00 -2.50 0.00 0.00 62.75 61.56 1pun n ILE 40 Cb 0.00 -1.84 0.00 0.00 0.54 0.00 0.00 39.64 38.34 1pun n ILE 40 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1pun n GLU 41 N -2.20 0.00 0.00 9.51 0.28 -1.25 -4.28 120.64 122.70 1pun n GLU 41 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1pun n GLU 41 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1pun n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1pun n MET 42 N -0.17 0.00 -0.05 3.44 2.81 -1.22 -3.47 117.12 118.46 1pun n MET 42 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1pun n MET 42 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1pun n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pun n GLY 43 N 0.00 0.74 0.00 3.03 0.00 -1.26 -5.10 105.19 102.59 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 -2.21 0.00 0.00 0.00 173.32 171.11 1pun n GLU 44 N 0.00 1.04 -3.84 1.61 2.13 -1.23 -5.07 120.64 115.29 1pun n GLU 44 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 1pun n GLU 44 Cb 0.50 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.18 1pun n GLU 44 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1pun s THR 45 N 0.00 5.28 0.60 6.31 2.01 -1.26 -4.76 115.64 123.82 1pun s THR 45 Ca 0.00 -0.52 0.27 0.00 0.31 0.00 0.00 61.69 61.76 1pun s THR 45 Cb 0.00 -3.73 0.39 0.00 0.01 0.00 0.00 72.50 69.17 1pun s THR 45 CO 0.00 -0.10 1.46 1.55 -0.69 0.00 0.00 174.62 176.84 1pun h PRO 46 N 2.17 0.00 0.00 4.92 0.13 -1.97 0.90 132.00 138.15 1pun h PRO 46 Ca -0.48 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.29 1pun h PRO 46 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1pun h PRO 46 CO 0.69 0.00 -2.19 0.39 -0.23 0.00 0.00 178.00 176.66 1pun n GLU 47 N -3.36 0.49 0.00 0.86 1.02 -1.26 -4.39 120.64 114.00 1pun n GLU 47 Ca 0.19 0.22 0.10 0.00 -0.02 0.00 0.00 57.16 57.65 1pun n GLU 47 Cb 1.31 -1.33 0.55 0.00 -0.02 0.00 0.00 31.44 31.96 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 -4.07 0.40 0.00 3.49 1.13 -0.66 -2.14 117.38 115.53 1pun n GLN 48 Ca -0.43 0.07 -0.21 0.00 -1.94 0.00 0.00 57.00 54.48 1pun n GLN 48 Cb 0.80 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 29.51 1pun n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pun h ALA 49 N 3.08 0.14 0.02 -1.58 0.00 0.58 -3.36 119.26 118.14 1pun h ALA 49 Ca 0.00 -1.02 -0.21 0.00 0.00 0.00 0.00 54.91 53.68 1pun h ALA 49 Cb 0.14 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1pun h ALA 49 CO 0.00 0.73 -0.97 -0.24 0.00 0.00 0.00 179.25 178.77 1pun h VAL 50 N -0.38 1.63 -0.96 0.00 3.04 -1.73 -3.25 116.25 114.60 1pun h VAL 50 Ca -0.28 -3.12 0.23 0.00 -1.01 0.00 0.00 66.70 62.53 1pun h VAL 50 Cb 1.69 2.73 -0.07 0.00 -2.01 0.00 0.00 31.29 33.63 1pun h VAL 50 CO 0.05 0.90 0.63 0.58 -1.01 0.00 0.00 177.57 178.72 1pun h VAL 51 N 0.03 0.62 0.02 1.51 2.07 -1.59 1.87 116.25 120.77 1pun h VAL 51 Ca -0.03 -0.13 -0.21 0.00 0.82 0.00 0.00 66.70 67.15 1pun h VAL 51 Cb 1.69 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1pun h VAL 51 CO 0.14 0.07 -0.93 0.03 0.02 0.00 0.00 177.57 176.90 1pun h ARG 52 N 0.38 0.22 0.15 1.57 -0.00 -1.70 -3.22 114.38 111.77 1pun h ARG 52 Ca 0.51 -0.25 -0.29 0.00 -0.50 0.00 0.00 59.98 59.45 1pun h ARG 52 Cb 1.33 0.08 0.02 0.00 0.00 0.00 0.00 29.97 31.40 1pun h ARG 52 CO -0.20 1.00 -1.27 0.93 0.00 0.00 0.00 179.97 180.43 1pun h GLU 53 N 0.11 0.42 -0.65 0.04 3.07 -0.68 -2.72 114.58 114.17 1pun h GLU 53 Ca -0.06 -0.64 0.13 0.00 -0.50 0.00 0.00 59.36 58.30 1pun h GLU 53 Cb 1.58 0.23 -0.12 0.00 -0.84 0.00 0.00 28.75 29.60 1pun h GLU 53 CO 0.14 1.29 -0.08 1.25 -1.40 0.00 0.00 179.01 180.21 1pun h LEU 54 N 0.15 -0.45 -0.18 1.33 5.85 0.27 1.38 115.31 123.64 1pun h LEU 54 Ca -0.17 0.18 -0.19 0.00 0.84 0.00 0.00 57.88 58.54 1pun h LEU 54 Cb 1.97 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 43.32 1pun h LEU 54 CO 0.22 -0.18 -0.92 -0.61 -0.34 0.00 0.00 178.44 176.62 1pun h GLN 55 N 0.05 0.03 0.00 1.25 4.15 -1.65 -2.06 115.11 116.88 1pun h GLN 55 Ca 0.33 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.66 1pun h GLN 55 Cb 0.52 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1pun h GLN 55 CO -0.62 0.93 -0.22 1.49 -1.93 0.00 0.00 178.83 178.48 1pun h GLU 56 N 0.01 0.00 -0.29 1.69 4.22 -0.19 1.47 114.58 121.49 1pun h GLU 56 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1pun h GLU 56 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1pun h GLU 56 CO 0.12 0.22 0.00 0.39 -2.18 0.00 0.00 179.01 177.56 1pun n GLU 57 N -3.60 2.18 0.00 1.92 4.71 0.44 0.26 120.64 126.54 1pun n GLU 57 Ca -0.01 -1.90 0.00 0.00 -0.01 0.00 0.00 57.16 55.24 1pun n GLU 57 Cb 0.35 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.47 1pun n GLU 57 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1pun n VAL 58 N 0.79 0.00 0.00 2.62 3.14 -0.78 -4.01 118.33 120.09 1pun n VAL 58 Ca 0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 1pun n VAL 58 Cb 0.43 -0.46 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 1pun n VAL 58 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pun n GLY 59 N 2.09 0.62 1.09 7.55 0.00 0.50 0.13 105.19 117.17 1pun n GLY 59 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.69 -0.61 -6.64 -1.26 -4.85 119.36 102.31 1pun n ILE 60 Ca 0.00 -0.32 -0.37 0.00 -1.77 0.00 0.00 62.75 60.29 1pun n ILE 60 Cb 0.00 -1.71 -0.09 0.00 -1.44 0.00 0.00 39.64 36.40 1pun n ILE 60 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1pun s THR 61 N -1.55 3.90 0.10 7.28 -4.23 -1.26 -4.98 115.64 114.90 1pun s THR 61 Ca 0.21 -3.09 0.06 0.00 -1.18 0.00 0.00 61.69 57.69 1pun s THR 61 Cb -0.01 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 1pun s THR 61 CO 0.14 -0.92 -0.05 -2.16 -0.54 0.00 0.00 174.62 171.10 1pun s PRO 62 N -0.26 2.33 -1.24 3.99 0.04 -1.26 -3.06 135.00 135.55 1pun s PRO 62 Ca 0.19 -0.94 -0.20 0.00 0.04 0.00 0.00 61.00 60.08 1pun s PRO 62 Cb -0.18 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 1pun s PRO 62 CO -0.05 0.52 1.84 -0.65 0.04 0.00 0.00 177.00 178.70 1pun s GLN 63 N -2.28 3.21 -0.08 4.56 -0.21 0.16 -4.84 119.66 120.18 1pun s GLN 63 Ca 0.24 -1.55 0.03 0.00 0.02 0.00 0.00 55.36 54.09 1pun s GLN 63 Cb -0.11 -5.38 0.01 0.00 1.00 0.00 0.00 33.01 28.52 1pun s GLN 63 CO 0.16 -3.16 -0.17 -1.58 -2.12 0.00 0.00 175.29 168.43 1pun s HIS 64 N 7.78 1.85 -1.30 0.91 2.46 -1.23 0.16 115.29 125.92 1pun s HIS 64 Ca 0.61 -0.71 0.00 0.00 0.47 0.00 0.00 55.06 55.43 1pun s HIS 64 Cb 0.01 -1.29 0.00 0.00 -0.13 0.00 0.00 32.58 31.17 1pun s HIS 64 CO 0.10 -0.32 0.00 0.34 -2.47 0.00 0.00 174.74 172.40 1pun n PHE 65 N 3.68 0.00 -0.76 3.88 7.35 -1.26 -4.93 117.46 125.42 1pun n PHE 65 Ca -0.21 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.57 1pun n PHE 65 Cb 0.52 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.31 1pun n PHE 65 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1pun n SER 66 N 0.78 -4.42 -4.00 -2.13 3.41 -1.26 -3.05 113.62 102.96 1pun n SER 66 Ca 0.00 0.63 -0.28 0.00 -0.26 0.00 0.00 58.87 58.96 1pun n SER 66 Cb 0.00 -2.52 -0.17 0.00 -0.26 0.00 0.00 64.21 61.26 1pun n SER 66 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1pun s LEU 67 N -6.02 1.56 0.10 1.04 0.05 -1.26 0.13 118.68 114.28 1pun s LEU 67 Ca 0.00 -0.40 -0.09 0.00 0.05 0.00 0.00 54.13 53.69 1pun s LEU 67 Cb 0.00 -1.03 -0.17 0.00 -2.05 0.00 0.00 46.19 42.94 1pun s LEU 67 CO 0.00 -0.04 1.24 0.15 -0.55 0.00 0.00 176.35 177.14 1pun h PHE 68 N 7.78 0.81 -1.83 3.48 3.04 -1.31 -3.42 116.94 125.49 1pun h PHE 68 Ca -0.33 -0.45 0.24 0.00 3.98 0.00 0.00 57.97 61.40 1pun h PHE 68 Cb 1.15 -0.09 -0.12 0.00 2.56 0.00 0.00 35.95 39.45 1pun h PHE 68 CO 0.48 1.29 0.68 -2.00 -2.02 0.00 0.00 178.31 176.73 1pun s GLU 69 N -3.24 0.68 -0.07 1.11 2.12 -1.19 -5.02 118.70 113.11 1pun s GLU 69 Ca -0.08 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 54.88 1pun s GLU 69 Cb 0.08 0.25 0.04 0.00 0.26 0.00 0.00 34.13 34.76 1pun s GLU 69 CO 0.90 -0.31 0.15 -1.59 -0.54 0.00 0.00 175.26 173.86 1pun s LYS 70 N -2.78 0.09 -0.33 4.30 -2.85 -1.26 0.13 119.74 117.04 1pun s LYS 70 Ca 0.11 0.38 -0.15 0.00 -1.00 0.00 0.00 55.97 55.31 1pun s LYS 70 Cb 0.01 -0.18 -0.02 0.00 -2.06 0.00 0.00 37.83 35.58 1pun s LYS 70 CO -0.03 -0.17 0.37 -1.17 0.10 0.00 0.00 175.35 174.45 1pun s LEU 71 N 1.21 4.36 -0.32 2.77 1.98 0.62 -4.92 118.68 124.38 1pun s LEU 71 Ca -0.09 -0.13 -0.02 0.00 -2.89 0.00 0.00 54.13 51.00 1pun s LEU 71 Cb -0.12 -2.37 0.06 0.00 0.66 0.00 0.00 46.19 44.43 1pun s LEU 71 CO -0.06 -0.32 0.04 -0.70 -1.89 0.00 0.00 176.35 173.42 1pun s GLU 72 N 2.06 2.30 -0.08 1.98 2.12 -1.26 -0.28 118.70 125.54 1pun s GLU 72 Ca 0.13 -1.40 -0.03 0.00 0.36 0.00 0.00 54.97 54.02 1pun s GLU 72 Cb -0.16 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 31.01 1pun s GLU 72 CO 0.12 -0.72 0.15 -0.47 -0.54 0.00 0.00 175.26 173.80 1pun s TYR 73 N 1.21 -0.16 -0.27 5.30 5.04 -1.08 -5.08 117.35 122.31 1pun s TYR 73 Ca -0.02 0.57 0.03 0.00 -2.44 0.00 0.00 57.07 55.20 1pun s TYR 73 Cb -0.20 -0.24 0.07 0.00 0.35 0.00 0.00 41.96 41.94 1pun s TYR 73 CO -0.02 -0.25 -0.06 -1.83 -1.34 0.00 0.00 175.55 172.05 1pun s GLU 74 N 2.06 1.92 0.78 4.97 -1.05 -1.26 -1.89 118.70 124.23 1pun s GLU 74 Ca 0.01 -1.36 -0.11 0.00 -0.15 0.00 0.00 54.97 53.36 1pun s GLU 74 Cb -0.12 -2.85 0.06 0.00 -0.44 0.00 0.00 34.13 30.78 1pun s GLU 74 CO -0.06 -0.65 1.09 -0.06 0.95 0.00 0.00 175.26 176.53 1pun s PHE 75 N 1.15 2.85 -0.51 4.83 0.08 -0.54 -4.78 117.98 121.05 1pun s PHE 75 Ca -0.04 1.23 -0.05 0.00 0.12 0.00 0.00 56.93 58.19 1pun s PHE 75 Cb -0.19 -3.07 -0.17 0.00 -0.57 0.00 0.00 43.02 39.02 1pun s PHE 75 CO -0.06 -1.69 1.60 -0.35 -0.10 0.00 0.00 175.22 174.61 1pun n PRO 76 N -3.40 0.01 0.00 0.24 -0.04 -1.26 0.23 135.00 130.78 1pun n PRO 76 Ca 0.07 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1pun n PRO 76 Cb 0.55 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1pun n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pun n ASP 77 N 5.31 0.00 -4.81 3.54 8.00 -1.26 -5.04 116.55 122.28 1pun n ASP 77 Ca 0.35 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.52 1pun n ASP 77 Cb 0.32 0.00 -0.03 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 -0.23 3.79 -0.21 -1.24 6.06 0.64 -3.41 118.95 124.35 1pun s ARG 78 Ca 0.00 1.18 -0.04 0.00 -2.50 0.00 0.00 55.73 54.37 1pun s ARG 78 Cb 0.00 -2.10 0.10 0.00 0.06 0.00 0.00 34.95 33.01 1pun s ARG 78 CO 0.00 -0.42 0.26 -1.58 -2.50 0.00 0.00 175.30 171.06 1pun s HIS 79 N -2.30 -0.40 -0.03 5.12 5.65 0.15 -1.47 115.29 122.01 1pun s HIS 79 Ca 0.63 0.41 0.05 0.00 0.25 0.00 0.00 55.06 56.41 1pun s HIS 79 Cb -0.13 -0.26 -0.01 0.00 -1.18 0.00 0.00 32.58 31.00 1pun s HIS 79 CO 0.26 -0.61 -0.19 -1.50 -0.65 0.00 0.00 174.74 172.05 1pun s ILE 80 N 2.38 1.52 -0.10 0.89 2.07 -0.79 0.73 121.20 127.90 1pun s ILE 80 Ca 0.08 -0.80 -0.01 0.00 -1.41 0.00 0.00 60.65 58.50 1pun s ILE 80 Cb -0.15 -1.28 0.03 0.00 0.13 0.00 0.00 42.46 41.19 1pun s ILE 80 CO -0.13 0.43 -0.01 0.42 -1.91 0.00 0.00 174.94 173.75 1pun s THR 81 N -0.27 0.53 -0.25 4.00 -4.23 -0.82 -2.65 115.64 111.96 1pun s THR 81 Ca 0.03 -0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1pun s THR 81 Cb -0.09 -0.72 0.03 0.00 1.34 0.00 0.00 72.50 73.06 1pun s THR 81 CO 0.01 0.20 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.47 1pun s LEU 82 N 1.90 3.27 -0.24 4.79 1.43 0.62 0.14 118.68 130.59 1pun s LEU 82 Ca 0.04 -0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 52.07 1pun s LEU 82 Cb -0.13 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1pun s LEU 82 CO -0.06 -0.15 0.12 0.26 0.23 0.00 0.00 176.35 176.75 1pun s TRP 83 N 1.29 3.19 -0.26 0.29 0.52 0.17 0.23 118.94 124.37 1pun s TRP 83 Ca -0.01 -0.07 -0.11 0.00 0.02 0.00 0.00 56.10 55.92 1pun s TRP 83 Cb -0.17 -2.25 -0.05 0.00 -1.15 0.00 0.00 33.47 29.84 1pun s TRP 83 CO -0.04 -0.14 0.19 -0.06 0.02 0.00 0.00 176.95 176.92 1pun s PHE 84 N 1.34 3.27 -0.30 -1.98 0.40 0.34 0.11 117.98 121.16 1pun s PHE 84 Ca 0.06 0.19 -0.12 0.00 -0.60 0.00 0.00 56.93 56.46 1pun s PHE 84 Cb -0.15 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 1pun s PHE 84 CO 0.05 -0.06 0.22 -1.58 0.70 0.00 0.00 175.22 174.55 1pun s TRP 85 N 1.46 3.22 -0.79 0.36 0.52 0.30 -0.95 118.94 123.06 1pun s TRP 85 Ca 0.08 0.04 -0.26 0.00 0.02 0.00 0.00 56.10 55.98 1pun s TRP 85 Cb -0.15 -2.43 0.04 0.00 -1.15 0.00 0.00 33.47 29.78 1pun s TRP 85 CO 0.08 -0.23 1.29 -1.17 0.02 0.00 0.00 176.95 176.94 1pun s LEU 86 N 1.78 3.34 0.43 2.99 1.98 0.35 -3.31 118.68 126.23 1pun s LEU 86 Ca 0.07 -0.70 -0.23 0.00 -2.89 0.00 0.00 54.13 50.38 1pun s LEU 86 Cb -0.16 -2.55 -0.08 0.00 0.66 0.00 0.00 46.19 44.06 1pun s LEU 86 CO 0.11 -1.74 1.11 -0.69 -1.89 0.00 0.00 176.35 173.25 1pun s VAL 87 N 5.43 3.39 -0.06 1.68 1.01 -1.14 -4.03 120.40 126.68 1pun s VAL 87 Ca 0.36 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.45 1pun s VAL 87 Cb -0.07 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 1pun s VAL 87 CO 0.10 -0.01 0.02 1.21 0.00 0.00 0.00 175.10 176.42 1pun n GLU 88 N -0.30 2.79 -3.64 2.72 2.13 -0.66 -3.69 120.64 119.99 1pun n GLU 88 Ca 0.06 -0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.80 1pun n GLU 88 Cb 0.49 -1.16 -0.02 0.00 0.27 0.00 0.00 31.44 31.02 1pun n GLU 88 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1pun s ARG 89 N -2.16 1.30 -0.17 5.31 6.06 0.43 -4.02 118.95 125.71 1pun s ARG 89 Ca -0.04 -0.62 -0.08 0.00 -2.50 0.00 0.00 55.73 52.49 1pun s ARG 89 Cb 0.02 0.51 0.07 0.00 0.06 0.00 0.00 34.95 35.60 1pun s ARG 89 CO 0.26 -0.59 0.39 1.67 -2.50 0.00 0.00 175.30 174.53 1pun s TRP 90 N -3.56 -0.62 0.37 5.12 -2.14 -1.21 0.40 118.94 117.29 1pun s TRP 90 Ca 0.07 1.29 -0.25 0.00 2.66 0.00 0.00 56.10 59.87 1pun s TRP 90 Cb -0.02 0.23 -0.10 0.00 -3.10 0.00 0.00 33.47 30.48 1pun s TRP 90 CO -0.03 -0.37 0.99 -2.00 -2.66 0.00 0.00 176.95 172.87 1pun s GLU 91 N 1.83 4.37 7.21 3.25 2.56 -1.17 -4.83 118.70 131.92 1pun s GLU 91 Ca -0.06 1.38 0.00 0.00 0.00 0.00 0.00 54.97 56.28 1pun s GLU 91 Cb -0.10 -2.62 0.00 0.00 2.00 0.00 0.00 34.13 33.41 1pun s GLU 91 CO -0.12 0.07 0.00 0.41 -0.56 0.00 0.00 175.26 175.06 1pun n GLY 92 N 0.31 3.49 3.30 -1.50 0.00 -1.26 -4.58 105.19 104.95 1pun n GLY 92 Ca 0.04 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 2.44 0.02 1.61 2.02 -1.26 -5.11 118.70 118.42 1pun s GLU 93 Ca 0.00 -0.89 -0.30 0.00 0.02 0.00 0.00 54.97 53.80 1pun s GLU 93 Cb 0.00 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 1pun s GLU 93 CO 0.00 0.45 1.14 -2.14 0.02 0.00 0.00 175.26 174.73 1pun s PRO 94 N -0.33 4.44 0.15 0.39 0.02 -1.26 -4.70 135.00 133.71 1pun s PRO 94 Ca 0.02 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.69 1pun s PRO 94 Cb -0.12 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 30.97 1pun s PRO 94 CO 0.02 -0.25 0.00 -2.67 -0.33 0.00 0.00 177.00 173.77 1pun n TRP 95 N 4.21 -1.04 0.00 6.54 4.27 0.40 -5.00 117.44 126.83 1pun n TRP 95 Ca 0.09 0.18 0.00 0.00 -3.89 0.00 0.00 57.50 53.88 1pun n TRP 95 Cb 0.47 0.32 0.00 0.00 -1.36 0.00 0.00 31.31 30.74 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 2.38 0.60 0.00 -1.67 0.00 0.34 -3.92 105.19 102.92 1pun n GLY 96 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.03 1.61 4.81 0.14 -4.71 118.16 119.99 1pun n LYS 97 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1pun n LYS 97 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 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 0.08 0.00 1.64 4.11 -1.72 -3.44 114.58 115.24 1pun h GLU 98 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1pun h GLU 98 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1pun h GLU 98 CO 0.00 0.61 0.00 0.41 0.07 0.00 0.00 179.01 180.10 1pun n GLY 99 N 0.42 -0.49 3.73 1.06 0.00 -1.26 -5.01 105.19 103.63 1pun n GLY 99 Ca -0.08 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 4.55 0.42 1.61 1.11 -1.26 -4.98 119.66 121.11 1pun s GLN 100 Ca 0.00 1.67 -0.22 0.00 0.01 0.00 0.00 55.36 56.83 1pun s GLN 100 Cb 0.00 -3.33 -0.14 0.00 -1.01 0.00 0.00 33.01 28.53 1pun s GLN 100 CO 0.00 -0.03 0.35 -2.30 0.01 0.00 0.00 175.29 173.32 1pun n PRO 101 N 3.06 0.32 -4.52 2.91 -0.02 -1.26 -4.52 135.00 130.96 1pun n PRO 101 Ca 0.05 0.12 -0.26 0.00 -2.02 0.00 0.00 63.50 61.39 1pun n PRO 101 Cb 0.47 -1.30 -0.08 0.00 -0.02 0.00 0.00 33.50 32.57 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 2.59 0.07 -1.23 0.00 -1.26 -3.96 107.32 102.54 1pun s GLY 102 Ca 0.62 -1.26 0.04 0.00 0.00 0.00 0.00 44.72 44.12 1pun s GLY 102 CO 0.60 -1.84 -0.11 -0.54 0.00 0.00 0.00 173.10 171.21 1pun s GLU 103 N -3.72 0.72 -0.33 2.90 8.01 -1.15 -4.85 118.70 120.26 1pun s GLU 103 Ca 0.24 -0.94 -0.28 0.00 0.01 0.00 0.00 54.97 54.00 1pun s GLU 103 Cb 0.03 -0.54 -0.04 0.00 -4.31 0.00 0.00 34.13 29.27 1pun s GLU 103 CO 0.14 0.10 2.09 1.67 0.01 0.00 0.00 175.26 179.28 1pun s TRP 104 N -1.67 1.39 0.32 1.61 1.48 -1.26 -2.89 118.94 117.91 1pun s TRP 104 Ca -0.03 0.77 0.10 0.00 -1.06 0.00 0.00 56.10 55.89 1pun s TRP 104 Cb -0.08 -3.94 -0.06 0.00 -1.16 0.00 0.00 33.47 28.23 1pun s TRP 104 CO 0.01 -3.31 -0.12 0.00 -4.06 0.00 0.00 176.95 169.46 1pun s MET 105 N 6.54 1.80 -0.20 3.25 0.23 -1.10 -4.80 119.30 125.01 1pun s MET 105 Ca 0.91 -1.87 -0.28 0.00 -1.03 0.00 0.00 55.69 53.42 1pun s MET 105 Cb -0.25 -1.74 0.00 0.00 -1.53 0.00 0.00 34.83 31.30 1pun s MET 105 CO 0.32 0.20 0.98 0.45 -2.03 0.00 0.00 175.02 174.95 1pun s SER 106 N -3.58 7.08 0.47 -1.18 0.15 -1.26 0.11 113.70 115.47 1pun s SER 106 Ca 0.32 1.34 0.31 0.00 0.70 0.00 0.00 55.95 58.62 1pun s SER 106 Cb -0.00 -2.52 1.28 0.00 -1.71 0.00 0.00 66.02 63.07 1pun s SER 106 CO 0.16 -0.58 1.91 0.25 1.20 0.00 0.00 173.24 176.18 1pun h LEU 107 N 9.04 0.00 -0.92 3.45 7.12 -1.90 -3.08 115.31 129.01 1pun h LEU 107 Ca -0.23 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.78 1pun h LEU 107 Cb 1.09 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1pun h LEU 107 CO 0.93 0.00 0.15 0.55 -0.13 0.00 0.00 178.44 179.94 1pun n VAL 108 N -2.83 0.95 -2.72 1.05 3.14 -1.26 -2.04 118.33 114.61 1pun n VAL 108 Ca 0.01 0.70 -0.16 0.00 -2.96 0.00 0.00 64.34 61.92 1pun n VAL 108 Cb 0.28 -1.70 0.01 0.00 -1.06 0.00 0.00 33.84 31.37 1pun n VAL 108 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pun n GLY 109 N -1.30 3.31 3.76 7.55 0.00 -1.16 -5.10 105.19 112.25 1pun n GLY 109 Ca -0.01 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 1pun n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pun s LEU 110 N -3.14 4.10 -0.23 0.99 2.96 -0.87 -5.01 118.68 117.48 1pun s LEU 110 Ca 0.36 2.83 0.01 0.00 -0.22 0.00 0.00 54.13 57.12 1pun s LEU 110 Cb 0.41 -3.98 0.05 0.00 0.50 0.00 0.00 46.19 43.18 1pun s LEU 110 CO -0.05 -1.15 -0.09 0.20 -1.32 0.00 0.00 176.35 173.94 1pun s ASN 111 N -0.63 3.91 0.30 3.68 0.01 -1.26 -4.90 114.94 116.06 1pun s ASN 111 Ca 0.61 -1.16 0.26 0.00 -0.71 0.00 0.00 52.86 51.86 1pun s ASN 111 Cb -0.42 -1.32 0.98 0.00 0.41 0.00 0.00 41.25 40.90 1pun s ASN 111 CO 0.53 -0.19 1.76 0.00 -1.51 0.00 0.00 177.10 177.69 1pun h ALA 112 N 7.90 1.00 0.02 0.60 0.00 -1.91 -2.92 119.26 123.94 1pun h ALA 112 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1pun h ALA 112 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1pun h ALA 112 CO 0.45 0.00 -0.13 0.38 0.00 0.00 0.00 179.25 179.95 1pun h ASP 113 N 0.00 0.08 0.73 0.00 2.03 -1.96 -3.29 116.42 114.02 1pun h ASP 113 Ca 0.00 -0.93 0.00 0.00 -0.73 0.00 0.00 57.03 55.37 1pun h ASP 113 Cb 0.49 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 1pun h ASP 113 CO 0.00 1.01 0.00 0.47 -1.03 0.00 0.00 179.24 179.69 1pun n ASP 114 N -4.55 0.71 -4.88 4.15 9.92 -1.20 -4.75 116.55 115.95 1pun n ASP 114 Ca -0.10 0.68 -0.21 0.00 -0.53 0.00 0.00 54.79 54.62 1pun n ASP 114 Cb 0.51 -0.83 -0.03 0.00 -0.64 0.00 0.00 41.12 40.13 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 -3.34 3.08 0.17 1.24 -0.71 -1.11 -1.04 117.98 116.27 1pun s PHE 115 Ca 0.04 -0.18 -0.33 0.00 -1.04 0.00 0.00 56.93 55.41 1pun s PHE 115 Cb 0.09 -1.65 -0.13 0.00 -1.21 0.00 0.00 43.02 40.12 1pun s PHE 115 CO 0.40 0.31 1.62 -0.35 -1.34 0.00 0.00 175.22 175.87 1pun n PRO 116 N -1.34 2.34 0.16 1.99 -0.04 -0.86 -4.76 135.00 132.48 1pun n PRO 116 Ca -0.05 0.84 0.12 0.00 -0.04 0.00 0.00 63.50 64.38 1pun n PRO 116 Cb 0.58 -2.64 0.56 0.00 -0.04 0.00 0.00 33.50 31.97 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 6.22 0.00 0.00 0.54 0.13 -1.85 -2.65 132.00 134.40 1pun h PRO 117 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1pun h PRO 117 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1pun h PRO 117 CO 0.91 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.68 1pun h ALA 118 N 2.15 1.00 -0.12 -0.56 0.00 -1.96 -1.39 119.26 118.37 1pun h ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pun h ALA 118 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pun h ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1pun n ASN 119 N -2.73 2.37 -0.09 0.00 3.02 -1.00 -4.71 115.26 112.13 1pun n ASN 119 Ca -0.01 -2.10 0.03 0.00 -0.03 0.00 0.00 54.58 52.47 1pun n ASN 119 Cb 0.12 -0.12 0.36 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.69 0.70 -0.79 3.52 4.81 -1.35 -3.14 114.58 119.03 1pun h GLU 120 Ca 0.00 -0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.35 1pun h GLU 120 Cb 0.64 -0.16 -0.15 0.00 0.63 0.00 0.00 28.75 29.71 1pun h GLU 120 CO 0.01 0.47 -0.19 -1.35 -0.73 0.00 0.00 179.01 177.21 1pun h PRO 121 N 0.72 0.00 0.03 0.92 0.11 -1.84 1.86 132.00 133.80 1pun h PRO 121 Ca 0.20 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1pun h PRO 121 Cb -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1pun h PRO 121 CO -0.05 0.00 -0.01 0.28 -0.21 0.00 0.00 178.00 178.01 1pun h VAL 122 N 0.00 1.20 0.00 3.15 2.07 -1.94 -3.32 116.25 117.42 1pun h VAL 122 Ca 0.38 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1pun h VAL 122 Cb 0.59 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1pun h VAL 122 CO -0.81 0.39 -0.06 0.40 0.02 0.00 0.00 177.57 177.50 1pun h ILE 123 N -0.95 0.85 -0.32 4.57 1.08 -1.46 -2.31 117.51 118.99 1pun h ILE 123 Ca -0.00 -0.23 0.06 0.00 -0.39 0.00 0.00 64.86 64.29 1pun h ILE 123 Cb 0.66 1.13 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 1pun h ILE 123 CO 0.01 0.06 -0.02 0.00 -0.69 0.00 0.00 178.15 177.50 1pun h ALA 124 N 1.94 0.26 -0.14 1.87 0.00 0.28 2.00 119.26 125.47 1pun h ALA 124 Ca -0.00 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1pun h ALA 124 Cb 0.13 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1pun h ALA 124 CO 0.01 -0.42 -0.15 -0.22 0.00 0.00 0.00 179.25 178.47 1pun h LYS 125 N 0.06 -0.17 0.02 0.00 3.64 -1.52 0.21 116.57 118.81 1pun h LYS 125 Ca 0.15 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1pun h LYS 125 Cb 0.22 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1pun h LYS 125 CO -0.28 -0.11 -0.19 1.25 -2.27 0.00 0.00 179.45 177.85 1pun h LEU 126 N -0.18 0.13 -1.10 5.20 5.85 -1.52 -3.33 115.31 120.36 1pun h LEU 126 Ca 0.10 -0.91 0.21 0.00 0.84 0.00 0.00 57.88 58.11 1pun h LEU 126 Cb 0.32 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.20 1pun h LEU 126 CO -0.24 1.03 0.62 0.50 -0.34 0.00 0.00 178.44 180.00 1pun h LYS 127 N -0.76 0.63 0.00 1.25 3.64 0.32 1.62 116.57 123.27 1pun h LYS 127 Ca -0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1pun h LYS 127 Cb 1.08 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1pun h LYS 127 CO 0.04 0.42 0.00 -2.13 -2.27 0.00 0.00 179.45 175.50 1pun n ARG 128 N -4.75 0.01 -0.10 1.90 0.63 0.06 -4.99 116.66 109.42 1pun n ARG 128 Ca 0.24 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1pun n ARG 128 Cb 0.66 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.07 1pun n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40