#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k78 s VAL 20 N 0.00 1.54 1.02 1.61 1.01 -1.26 -1.18 120.40 123.15 1k78 s VAL 20 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1k78 s VAL 20 Cb 0.00 -1.44 0.22 0.00 0.00 0.00 0.00 36.38 35.17 1k78 s VAL 20 CO 0.00 0.45 1.27 0.54 0.00 0.00 0.00 175.10 177.36 1k78 s ASN 21 N 1.31 2.55 0.02 3.32 6.03 0.94 -4.87 114.94 124.23 1k78 s ASN 21 Ca 0.01 0.35 0.15 0.00 -1.03 0.00 0.00 52.86 52.34 1k78 s ASN 21 Cb -0.14 -0.43 0.65 0.00 -3.03 0.00 0.00 41.25 38.31 1k78 s ASN 21 CO -0.07 -3.09 1.49 0.00 -2.03 0.00 0.00 177.10 173.39 1k78 n GLN 22 N -4.02 0.01 0.00 3.55 6.02 -1.26 -1.40 117.38 120.28 1k78 n GLN 22 Ca 0.15 0.26 0.13 0.00 -0.01 0.00 0.00 57.00 57.53 1k78 n GLN 22 Cb 0.59 -1.52 0.41 0.00 1.02 0.00 0.00 30.24 30.74 1k78 n GLN 22 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1k78 n LEU 23 N -1.55 1.89 0.00 1.08 4.77 -1.26 -4.91 117.00 117.02 1k78 n LEU 23 Ca 0.03 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1k78 n LEU 23 Cb 0.18 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1k78 n LEU 23 CO 0.14 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1k78 n GLY 24 N 1.23 0.70 3.85 -0.72 0.00 -0.50 -4.79 105.19 104.97 1k78 n GLY 24 Ca 0.17 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1k78 n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k78 s GLY 25 N -2.07 2.41 -0.01 -0.02 0.00 -1.25 -4.78 107.32 101.60 1k78 s GLY 25 Ca 0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 44.72 44.19 1k78 s GLY 25 CO 0.00 0.01 0.86 0.14 0.00 0.00 0.00 173.10 174.12 1k78 s VAL 26 N -1.36 4.90 0.07 1.40 1.01 -1.26 -0.04 120.40 125.12 1k78 s VAL 26 Ca 0.33 1.81 -0.03 0.00 0.00 0.00 0.00 61.98 64.09 1k78 s VAL 26 Cb -0.15 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1k78 s VAL 26 CO 0.18 0.22 0.04 0.72 0.00 0.00 0.00 175.10 176.25 1k78 s PHE 27 N 0.80 0.48 -0.39 5.22 -0.12 -0.32 -4.96 117.98 118.69 1k78 s PHE 27 Ca 0.46 -0.98 -0.01 0.00 -0.05 0.00 0.00 56.93 56.35 1k78 s PHE 27 Cb -0.20 -0.32 0.11 0.00 -0.63 0.00 0.00 43.02 41.98 1k78 s PHE 27 CO 0.24 -0.44 0.16 0.08 -0.05 0.00 0.00 175.22 175.21 1k78 s VAL 28 N -3.93 3.01 -0.17 -2.49 1.01 -1.26 -2.21 120.40 114.36 1k78 s VAL 28 Ca 0.09 -2.15 -0.40 0.00 0.00 0.00 0.00 61.98 59.52 1k78 s VAL 28 Cb 0.07 -3.10 -0.16 0.00 0.00 0.00 0.00 36.38 33.19 1k78 s VAL 28 CO -0.08 -0.67 1.58 -3.20 0.00 0.00 0.00 175.10 172.73 1k78 n ASN 29 N 4.48 1.98 0.00 3.32 2.85 -1.26 -0.77 115.26 125.86 1k78 n ASN 29 Ca -0.00 1.10 0.00 0.00 -0.11 0.00 0.00 54.58 55.57 1k78 n ASN 29 Cb 0.41 -1.13 0.00 0.00 1.24 0.00 0.00 39.78 40.31 1k78 n ASN 29 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k78 n GLY 30 N 3.55 2.27 3.82 8.20 0.00 -1.26 -5.05 105.19 116.72 1k78 n GLY 30 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 1k78 n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k78 s ARG 31 N -0.71 3.02 0.56 1.61 1.81 0.05 -5.10 118.95 120.20 1k78 s ARG 31 Ca 0.00 -0.73 -0.19 0.00 -1.72 0.00 0.00 55.73 53.09 1k78 s ARG 31 Cb 0.00 -2.76 -0.05 0.00 -0.45 0.00 0.00 34.95 31.69 1k78 s ARG 31 CO 0.00 0.53 1.13 -2.14 -0.68 0.00 0.00 175.30 174.13 1k78 s PRO 32 N -2.82 3.27 0.27 3.54 0.02 -1.26 -4.77 135.00 133.23 1k78 s PRO 32 Ca 0.31 1.57 -0.30 0.00 0.02 0.00 0.00 61.00 62.61 1k78 s PRO 32 Cb -0.11 -2.00 -0.10 0.00 0.02 0.00 0.00 34.50 32.31 1k78 s PRO 32 CO 0.24 -0.91 1.46 -1.17 -0.33 0.00 0.00 177.00 176.29 1k78 s LEU 33 N -3.98 4.38 0.29 -5.54 2.96 -1.26 -4.89 118.68 110.64 1k78 s LEU 33 Ca 0.72 2.73 -0.28 0.00 -0.22 0.00 0.00 54.13 57.08 1k78 s LEU 33 Cb -0.23 -3.63 -0.14 0.00 0.50 0.00 0.00 46.19 42.69 1k78 s LEU 33 CO 0.29 -0.74 1.06 -2.65 -1.32 0.00 0.00 176.35 172.99 1k78 n PRO 34 N 2.16 1.44 -0.32 0.98 -0.02 -1.26 -4.71 135.00 133.26 1k78 n PRO 34 Ca 0.06 0.50 0.19 0.00 -2.02 0.00 0.00 63.50 62.24 1k78 n PRO 34 Cb 0.40 -1.91 0.45 0.00 -0.02 0.00 0.00 33.50 32.42 1k78 n PRO 34 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1k78 h ASP 35 N 2.17 0.54 -0.76 2.55 3.32 -1.95 -0.80 116.42 121.48 1k78 h ASP 35 Ca -0.40 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1k78 h ASP 35 Cb 1.33 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 1k78 h ASP 35 CO 0.62 0.14 0.46 1.62 -1.72 0.00 0.00 179.24 180.36 1k78 h VAL 36 N 0.50 1.22 -0.16 -1.35 3.04 -2.00 0.14 116.25 117.64 1k78 h VAL 36 Ca 0.58 -0.48 -0.22 0.00 -1.01 0.00 0.00 66.70 65.56 1k78 h VAL 36 Cb 1.29 0.13 0.01 0.00 -2.01 0.00 0.00 31.29 30.71 1k78 h VAL 36 CO -0.31 0.23 -0.78 0.58 -1.01 0.00 0.00 177.57 176.28 1k78 h VAL 37 N 1.06 1.28 -0.71 1.51 2.07 -1.51 -2.31 116.25 117.64 1k78 h VAL 37 Ca 0.28 -1.97 0.03 0.00 0.82 0.00 0.00 66.70 65.86 1k78 h VAL 37 Cb -0.04 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1k78 h VAL 37 CO -0.05 0.63 0.44 0.03 0.02 0.00 0.00 177.57 178.64 1k78 h ARG 38 N 0.55 0.84 -0.60 1.57 3.08 -0.80 -0.64 114.38 118.38 1k78 h ARG 38 Ca -0.05 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1k78 h ARG 38 Cb 1.41 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 1k78 h ARG 38 CO 0.16 0.56 0.14 1.96 -1.07 0.00 0.00 179.97 181.71 1k78 h GLN 39 N 0.87 0.98 -0.09 0.04 4.20 -0.93 -2.62 115.11 117.56 1k78 h GLN 39 Ca 0.29 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1k78 h GLN 39 Cb 0.03 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1k78 h GLN 39 CO -0.11 0.90 -0.25 -0.09 -0.67 0.00 0.00 178.83 178.60 1k78 h ARG 40 N 0.89 0.16 -0.09 1.46 9.65 -0.80 -0.58 114.38 125.06 1k78 h ARG 40 Ca 0.19 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1k78 h ARG 40 Cb 0.37 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1k78 h ARG 40 CO 0.00 0.41 0.01 0.82 2.80 0.00 0.00 179.97 184.02 1k78 h ILE 41 N 0.14 1.22 -0.73 1.20 2.04 -0.78 -0.41 117.51 120.18 1k78 h ILE 41 Ca 0.02 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1k78 h ILE 41 Cb 0.53 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1k78 h ILE 41 CO 0.04 0.19 0.35 0.58 0.00 0.00 0.00 178.15 179.31 1k78 h VAL 42 N -0.08 1.24 -0.45 1.67 2.07 -1.25 -2.20 116.25 117.25 1k78 h VAL 42 Ca 0.03 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1k78 h VAL 42 Cb 0.28 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1k78 h VAL 42 CO 0.00 0.28 0.15 -0.08 0.02 0.00 0.00 177.57 177.94 1k78 h GLU 43 N 1.03 0.69 -0.65 1.57 4.57 -0.93 -0.24 114.58 120.62 1k78 h GLU 43 Ca 0.25 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1k78 h GLU 43 Cb 0.12 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1k78 h GLU 43 CO -0.03 0.66 0.15 -0.07 -1.18 0.00 0.00 179.01 178.54 1k78 h LEU 44 N 0.58 0.98 -0.69 1.64 3.38 -0.92 -1.03 115.31 119.25 1k78 h LEU 44 Ca 0.14 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1k78 h LEU 44 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1k78 h LEU 44 CO -0.01 0.95 -0.25 0.00 0.09 0.00 0.00 178.44 179.22 1k78 h ALA 45 N 1.17 0.87 -0.69 1.53 0.00 -1.18 -0.54 119.26 120.43 1k78 h ALA 45 Ca 0.21 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1k78 h ALA 45 Cb 0.36 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1k78 h ALA 45 CO 0.00 0.63 0.46 1.25 0.00 0.00 0.00 179.25 181.59 1k78 h HIS 46 N 0.64 0.84 0.00 0.00 -0.00 -0.52 -0.88 115.15 115.23 1k78 h HIS 46 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 1k78 h HIS 46 Cb 0.76 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 1k78 h HIS 46 CO 0.04 0.51 0.00 1.04 -0.00 0.00 0.00 177.93 179.52 1k78 n GLN 47 N -4.44 0.35 0.00 5.26 6.02 -0.44 -4.91 117.38 119.22 1k78 n GLN 47 Ca 0.08 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1k78 n GLN 47 Cb 0.07 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1k78 n GLN 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k78 n GLY 48 N 1.18 0.94 3.72 1.08 0.00 -0.34 -5.08 105.19 106.68 1k78 n GLY 48 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1k78 n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k78 s VAL 49 N -2.00 4.30 0.29 1.61 1.01 -0.27 -4.99 120.40 120.35 1k78 s VAL 49 Ca 0.00 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 1k78 s VAL 49 Cb 0.00 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 1k78 s VAL 49 CO 0.00 0.17 1.25 -0.60 0.00 0.00 0.00 175.10 175.92 1k78 s ARG 50 N 0.75 4.44 0.30 2.72 3.52 -1.26 -4.33 118.95 125.09 1k78 s ARG 50 Ca 0.54 2.07 0.06 0.00 -0.13 0.00 0.00 55.73 58.28 1k78 s ARG 50 Cb -0.26 -3.13 0.78 0.00 -1.56 0.00 0.00 34.95 30.78 1k78 s ARG 50 CO 0.30 -0.10 1.74 -1.35 -0.81 0.00 0.00 175.30 175.08 1k78 h PRO 51 N 3.96 0.59 -0.66 5.12 0.11 -1.98 0.34 132.00 139.47 1k78 h PRO 51 Ca -0.47 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1k78 h PRO 51 Cb 1.22 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1k78 h PRO 51 CO 0.69 0.39 0.44 0.00 -0.21 0.00 0.00 178.00 179.30 1k78 h ASP 53 N 0.89 0.49 -0.33 0.00 3.32 -0.79 -1.92 116.42 118.08 1k78 h ASP 53 Ca 0.24 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1k78 h ASP 53 Cb -0.10 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1k78 h ASP 53 CO -0.05 1.09 0.12 0.40 -1.72 0.00 0.00 179.24 179.08 1k78 h ILE 54 N 0.26 1.19 0.16 0.35 2.04 -0.26 0.11 117.51 121.37 1k78 h ILE 54 Ca -0.04 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1k78 h ILE 54 Cb 1.36 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1k78 h ILE 54 CO 0.13 0.21 -0.18 -1.28 0.00 0.00 0.00 178.15 177.03 1k78 h SER 55 N 0.39 -0.49 -0.44 1.72 0.87 -0.74 0.46 113.55 115.32 1k78 h SER 55 Ca 0.11 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1k78 h SER 55 Cb 0.21 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1k78 h SER 55 CO -0.01 -0.27 0.18 0.03 -0.53 0.00 0.00 176.83 176.24 1k78 h ARG 56 N -0.38 0.65 -0.15 2.24 3.08 -1.26 0.14 114.38 118.70 1k78 h ARG 56 Ca 0.01 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1k78 h ARG 56 Cb 0.37 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1k78 h ARG 56 CO -0.06 0.59 -0.08 1.96 -1.07 0.00 0.00 179.97 181.32 1k78 h GLN 57 N 0.56 0.32 -0.00 0.04 4.20 -0.67 -3.13 115.11 116.44 1k78 h GLN 57 Ca 0.15 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1k78 h GLN 57 Cb 0.18 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1k78 h GLN 57 CO -0.01 0.64 -0.12 1.28 -0.67 0.00 0.00 178.83 179.95 1k78 n LEU 58 N -4.64 0.37 -3.19 1.46 4.77 0.14 -4.96 117.00 110.95 1k78 n LEU 58 Ca -0.06 0.10 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 1k78 n LEU 58 Cb 0.30 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1k78 n LEU 58 CO 0.38 0.07 0.09 0.54 -1.33 0.00 0.00 177.39 177.14 1k78 n ARG 59 N -1.11 -5.29 -4.75 3.23 1.74 0.37 -4.91 116.66 105.94 1k78 n ARG 59 Ca 0.13 0.78 -0.24 0.00 -0.77 0.00 0.00 57.85 57.74 1k78 n ARG 59 Cb 0.29 -5.55 -0.15 0.00 -1.02 0.00 0.00 32.46 26.02 1k78 n ARG 59 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1k78 s VAL 60 N -3.33 1.28 0.42 1.55 1.01 -0.50 -4.13 120.40 116.68 1k78 s VAL 60 Ca 0.08 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 1k78 s VAL 60 Cb -0.01 -1.08 -0.10 0.00 0.00 0.00 0.00 36.38 35.19 1k78 s VAL 60 CO 0.67 0.37 1.14 -1.54 0.00 0.00 0.00 175.10 175.73 1k78 n SER 61 N 2.87 1.88 0.27 3.32 3.41 -1.26 -4.50 113.62 119.61 1k78 n SER 61 Ca -0.16 1.07 0.14 0.00 -0.26 0.00 0.00 58.87 59.66 1k78 n SER 61 Cb 0.54 -1.42 0.77 0.00 -0.26 0.00 0.00 64.21 63.83 1k78 n SER 61 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1k78 h HIS 62 N 1.81 0.00 -0.55 7.33 2.07 -1.93 -1.43 115.15 122.45 1k78 h HIS 62 Ca -0.46 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 56.97 1k78 h HIS 62 Cb 1.32 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.28 1k78 h HIS 62 CO 0.46 0.10 -0.02 0.78 -3.07 0.00 0.00 177.93 176.17 1k78 h GLY 63 N 0.86 1.04 0.78 6.13 0.00 -1.99 0.17 103.07 110.06 1k78 h GLY 63 Ca -0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.51 1k78 h GLY 63 CO 0.01 0.69 -0.13 0.00 0.00 0.00 0.00 176.54 177.11 1k78 h VAL 65 N 0.05 0.96 -0.58 0.00 2.07 -1.26 0.75 116.25 118.23 1k78 h VAL 65 Ca 0.03 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1k78 h VAL 65 Cb 0.65 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1k78 h VAL 65 CO 0.04 0.13 0.38 -1.28 0.02 0.00 0.00 177.57 176.85 1k78 h SER 66 N 0.70 0.66 0.09 0.57 0.87 -0.47 -0.72 113.55 115.25 1k78 h SER 66 Ca 0.32 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1k78 h SER 66 Cb 0.22 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1k78 h SER 66 CO -0.20 0.47 -0.05 0.50 -0.53 0.00 0.00 176.83 177.03 1k78 h LYS 67 N 0.78 -0.12 -0.27 2.24 1.63 -0.36 0.12 116.57 120.58 1k78 h LYS 67 Ca 0.21 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.04 1k78 h LYS 67 Cb -0.08 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 1k78 h LYS 67 CO -0.05 0.10 0.14 0.82 -3.45 0.00 0.00 179.45 177.01 1k78 h ILE 68 N -0.33 0.99 -0.14 2.00 2.04 -0.75 -0.66 117.51 120.66 1k78 h ILE 68 Ca -0.01 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1k78 h ILE 68 Cb 0.28 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1k78 h ILE 68 CO 0.02 0.05 -0.01 -0.07 0.00 0.00 0.00 178.15 178.15 1k78 h LEU 69 N 0.29 0.24 -0.88 1.44 3.38 -1.12 -0.58 115.31 118.08 1k78 h LEU 69 Ca 0.11 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.86 1k78 h LEU 69 Cb 0.03 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 1k78 h LEU 69 CO -0.08 0.50 0.52 1.23 0.09 0.00 0.00 178.44 180.71 1k78 h GLY 70 N -0.03 1.38 1.39 0.83 0.00 -0.80 0.09 103.07 105.93 1k78 h GLY 70 Ca 0.04 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 1k78 h GLY 70 CO 0.01 0.14 -0.37 -0.09 0.00 0.00 0.00 176.54 176.23 1k78 h ARG 71 N 0.85 0.68 -0.30 4.80 2.43 -0.96 -2.66 114.38 119.21 1k78 h ARG 71 Ca 0.43 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1k78 h ARG 71 Cb 0.39 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1k78 h ARG 71 CO -0.25 0.94 0.01 -0.92 -1.51 0.00 0.00 179.97 178.23 1k78 h TYR 72 N 0.56 0.57 0.00 2.20 3.20 0.29 0.27 116.97 124.06 1k78 h TYR 72 Ca 0.05 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 1k78 h TYR 72 Cb 0.89 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 1k78 h TYR 72 CO 0.04 0.65 -0.17 1.88 -1.64 0.00 0.00 178.16 178.93 1k78 h TYR 73 N 0.32 0.00 0.08 -3.82 0.99 -1.03 0.19 116.97 113.69 1k78 h TYR 73 Ca 0.09 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.48 1k78 h TYR 73 Cb 0.42 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.12 1k78 h TYR 73 CO 0.03 0.17 -1.90 -1.91 -0.00 0.00 0.00 178.16 174.55 1k78 n GLU 74 N -3.76 0.71 -0.06 4.88 4.07 -1.01 -4.66 120.64 120.81 1k78 n GLU 74 Ca -0.02 0.27 -0.07 0.00 -0.06 0.00 0.00 57.16 57.28 1k78 n GLU 74 Cb 0.27 -1.74 -0.08 0.00 -0.06 0.00 0.00 31.44 29.84 1k78 n GLU 74 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1k78 n THR 75 N -3.30 0.79 -0.06 6.31 -1.04 0.95 -5.01 114.28 112.91 1k78 n THR 75 Ca -0.26 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1k78 n THR 75 Cb 1.05 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 1k78 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k78 n GLY 76 N 2.51 0.62 3.73 3.41 0.00 0.65 -5.04 105.19 111.07 1k78 n GLY 76 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1k78 n GLY 76 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k78 s SER 77 N -2.60 5.21 0.00 1.61 0.15 -1.26 -5.00 113.70 111.81 1k78 s SER 77 Ca 0.00 -0.15 0.18 0.00 0.70 0.00 0.00 55.95 56.68 1k78 s SER 77 Cb 0.00 -1.29 0.15 0.00 -1.71 0.00 0.00 66.02 63.17 1k78 s SER 77 CO 0.00 0.15 1.08 2.30 1.20 0.00 0.00 173.24 177.97 1k78 n ILE 78 N 0.30 0.03 -2.32 6.45 -5.35 -1.26 -3.86 119.36 113.35 1k78 n ILE 78 Ca -0.10 -0.52 -0.41 0.00 -0.27 0.00 0.00 62.75 61.46 1k78 n ILE 78 Cb 0.53 1.35 -0.03 0.00 -1.74 0.00 0.00 39.64 39.74 1k78 n ILE 78 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1k78 s LYS 79 N -1.48 4.49 0.84 6.28 3.01 -1.26 -4.94 119.74 126.68 1k78 s LYS 79 Ca 0.22 1.96 -0.12 0.00 -1.01 0.00 0.00 55.97 57.01 1k78 s LYS 79 Cb 0.15 -3.18 0.10 0.00 -1.01 0.00 0.00 37.83 33.89 1k78 s LYS 79 CO 0.23 -0.05 1.11 -1.25 0.51 0.00 0.00 175.35 175.90 1k78 s PRO 80 N -0.90 1.72 1.07 -1.68 0.04 -1.26 -5.02 135.00 128.96 1k78 s PRO 80 Ca 0.50 0.53 -0.14 0.00 0.04 0.00 0.00 61.00 61.93 1k78 s PRO 80 Cb -0.35 -1.89 0.22 0.00 0.04 0.00 0.00 34.50 32.53 1k78 s PRO 80 CO 0.42 -1.85 1.09 0.20 0.04 0.00 0.00 177.00 176.90 1k78 s GLY 81 N -3.92 1.56 -0.28 0.56 0.00 -1.26 -4.95 107.32 99.03 1k78 s GLY 81 Ca 0.62 -0.52 -0.27 0.00 0.00 0.00 0.00 44.72 44.55 1k78 s GLY 81 CO 0.54 0.17 0.96 0.14 0.00 0.00 0.00 173.10 174.92 1k78 s VAL 82 N -2.96 4.67 0.29 1.40 1.01 -1.26 -5.03 120.40 118.52 1k78 s VAL 82 Ca 0.67 1.67 -0.13 0.00 0.00 0.00 0.00 61.98 64.19 1k78 s VAL 82 Cb -0.17 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 1k78 s VAL 82 CO 0.58 -0.28 0.66 -0.63 0.00 0.00 0.00 175.10 175.43 1k78 s ILE 83 N 3.25 4.78 0.00 2.22 1.01 -1.26 -5.00 121.20 126.19 1k78 s ILE 83 Ca 0.40 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1k78 s ILE 83 Cb -0.14 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1k78 s ILE 83 CO 0.11 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.52 1k78 n GLY 84 N -0.28 -2.15 1.44 6.18 0.00 -1.26 -5.11 105.19 104.02 1k78 n GLY 84 Ca 0.02 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1k78 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k78 n GLY 85 N -0.13 -2.49 3.54 -0.02 0.00 -1.26 -5.07 105.19 99.76 1k78 n GLY 85 Ca 0.00 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 1k78 n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k78 s SER 86 N -2.24 -0.48 0.31 1.61 1.04 -1.26 -5.18 113.70 107.50 1k78 s SER 86 Ca 0.00 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.29 1k78 s SER 86 Cb 0.00 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1k78 s SER 86 CO 0.00 -1.06 0.49 -0.54 0.98 0.00 0.00 173.24 173.12 1k78 s LYS 87 N -3.77 3.48 0.57 4.02 -0.14 -1.26 -5.07 119.74 117.57 1k78 s LYS 87 Ca 0.04 -0.44 -0.21 0.00 -1.36 0.00 0.00 55.97 54.00 1k78 s LYS 87 Cb -0.02 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.36 1k78 s LYS 87 CO -0.08 0.23 1.34 -2.30 -0.76 0.00 0.00 175.35 173.78 1k78 n PRO 88 N -1.64 1.53 -0.03 -1.68 -0.02 -1.26 -4.98 135.00 126.92 1k78 n PRO 88 Ca -0.06 0.57 -0.07 0.00 -2.02 0.00 0.00 63.50 61.92 1k78 n PRO 88 Cb 0.56 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 1k78 n PRO 88 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1k78 n LYS 89 N -1.25 0.16 -0.10 -0.52 5.02 -1.26 -4.84 118.16 115.37 1k78 n LYS 89 Ca 0.12 0.07 -0.12 0.00 -2.02 0.00 0.00 58.31 56.36 1k78 n LYS 89 Cb 0.45 -0.76 -0.13 0.00 -0.02 0.00 0.00 35.03 34.57 1k78 n LYS 89 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1k78 n VAL 90 N -3.39 1.30 -0.94 -0.18 0.24 -1.26 -4.61 118.33 109.50 1k78 n VAL 90 Ca -0.14 -0.69 -0.21 0.00 -2.04 0.00 0.00 64.34 61.26 1k78 n VAL 90 Cb 0.55 -0.81 -0.08 0.00 -1.47 0.00 0.00 33.84 32.03 1k78 n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k78 n ALA 91 N -2.87 5.87 -1.43 2.33 0.00 -1.26 -4.77 120.51 118.38 1k78 n ALA 91 Ca -0.35 -2.20 -0.35 0.00 0.00 0.00 0.00 53.44 50.54 1k78 n ALA 91 Cb 1.05 -2.78 0.09 0.00 0.00 0.00 0.00 19.45 17.81 1k78 n ALA 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1k78 s THR 92 N 2.08 2.12 0.40 0.00 2.01 -1.26 -4.72 115.64 116.27 1k78 s THR 92 Ca 0.56 0.06 0.13 0.00 0.31 0.00 0.00 61.69 62.74 1k78 s THR 92 Cb 0.20 -2.74 0.34 0.00 0.01 0.00 0.00 72.50 70.31 1k78 s THR 92 CO -0.03 -0.03 1.91 -0.65 -0.69 0.00 0.00 174.62 175.13 1k78 h PRO 93 N -0.15 0.52 -0.00 4.92 0.11 -1.99 0.16 132.00 135.56 1k78 h PRO 93 Ca -0.48 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.42 1k78 h PRO 93 Cb 1.31 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.32 1k78 h PRO 93 CO 0.50 0.34 -0.68 1.57 -0.21 0.00 0.00 178.00 179.52 1k78 h LYS 94 N 0.53 0.46 -0.71 1.05 2.10 -1.97 -2.69 116.57 115.35 1k78 h LYS 94 Ca 0.39 -0.49 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1k78 h LYS 94 Cb 0.75 0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 32.19 1k78 h LYS 94 CO -0.14 1.14 0.45 0.28 -2.00 0.00 0.00 179.45 179.18 1k78 h VAL 95 N -0.02 1.20 -0.57 0.07 2.07 -1.73 -0.20 116.25 117.06 1k78 h VAL 95 Ca -0.08 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1k78 h VAL 95 Cb 1.38 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1k78 h VAL 95 CO 0.13 0.20 0.29 0.58 0.02 0.00 0.00 177.57 178.79 1k78 h VAL 96 N 0.97 1.20 -0.22 2.57 2.07 -1.04 -1.26 116.25 120.54 1k78 h VAL 96 Ca 0.26 -0.54 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1k78 h VAL 96 Cb -0.07 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1k78 h VAL 96 CO -0.05 0.22 -0.26 -0.08 0.02 0.00 0.00 177.57 177.42 1k78 h GLU 97 N 0.77 0.41 -0.48 1.57 4.81 -1.09 -2.18 114.58 118.40 1k78 h GLU 97 Ca 0.20 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1k78 h GLU 97 Cb 0.09 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1k78 h GLU 97 CO -0.03 0.65 0.10 0.87 -0.73 0.00 0.00 179.01 179.87 1k78 h LYS 98 N 0.37 0.78 -0.91 1.92 1.79 -0.56 -0.88 116.57 119.08 1k78 h LYS 98 Ca 0.05 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1k78 h LYS 98 Cb 0.66 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.17 1k78 h LYS 98 CO 0.05 0.77 0.53 0.82 -1.08 0.00 0.00 179.45 180.54 1k78 h ILE 99 N 0.66 1.26 -0.66 1.86 2.04 -0.99 -0.30 117.51 121.38 1k78 h ILE 99 Ca 0.15 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 1k78 h ILE 99 Cb 0.36 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1k78 h ILE 99 CO 0.00 0.28 0.12 0.00 0.00 0.00 0.00 178.15 178.55 1k78 h ALA 100 N 1.31 0.87 -0.58 1.87 0.00 -1.09 -1.49 119.26 120.15 1k78 h ALA 100 Ca 0.33 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1k78 h ALA 100 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1k78 h ALA 100 CO -0.06 0.63 0.08 1.05 0.00 0.00 0.00 179.25 180.95 1k78 h GLU 101 N 1.00 0.95 -0.33 0.00 9.09 -0.44 -1.42 114.58 123.43 1k78 h GLU 101 Ca 0.20 -0.24 -0.05 0.00 0.05 0.00 0.00 59.36 59.32 1k78 h GLU 101 Cb 0.42 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 1k78 h GLU 101 CO 0.01 0.89 -0.00 1.88 0.05 0.00 0.00 179.01 181.84 1k78 h TYR 102 N 0.89 0.63 -0.73 2.06 0.99 -0.76 -1.73 116.97 118.32 1k78 h TYR 102 Ca 0.18 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 1k78 h TYR 102 Cb 0.42 -0.16 -0.03 0.00 1.00 0.00 0.00 36.73 37.95 1k78 h TYR 102 CO 0.03 0.70 0.21 0.87 -0.00 0.00 0.00 178.16 179.96 1k78 h LYS 103 N 0.38 1.15 -0.71 4.88 1.79 -1.09 0.17 116.57 123.14 1k78 h LYS 103 Ca 0.09 -0.26 -0.04 0.00 -2.18 0.00 0.00 60.65 58.26 1k78 h LYS 103 Cb 0.45 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 1k78 h LYS 103 CO 0.02 0.99 0.27 0.00 -1.08 0.00 0.00 179.45 179.64 1k78 h ARG 104 N 1.09 1.06 -0.22 3.15 3.08 -1.19 -1.07 114.38 120.29 1k78 h ARG 104 Ca 0.23 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1k78 h ARG 104 Cb 0.34 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1k78 h ARG 104 CO -0.00 0.87 -0.19 1.96 -1.07 0.00 0.00 179.97 181.54 1k78 h GLN 105 N 1.03 0.52 -2.56 0.04 4.20 -0.86 -3.40 115.11 114.07 1k78 h GLN 105 Ca 0.24 -0.26 -0.58 0.00 0.06 0.00 0.00 58.65 58.10 1k78 h GLN 105 Cb 0.22 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.62 1k78 h GLN 105 CO -0.02 0.84 -0.86 -0.80 -0.67 0.00 0.00 178.83 177.32 1k78 s ASN 106 N -6.30 2.76 0.57 1.46 -0.87 0.01 -5.00 114.94 107.56 1k78 s ASN 106 Ca -0.13 -2.32 0.28 0.00 -1.57 0.00 0.00 52.86 49.12 1k78 s ASN 106 Cb 0.07 -0.42 1.47 0.00 -0.02 0.00 0.00 41.25 42.36 1k78 s ASN 106 CO 0.79 -0.29 1.94 -0.65 -2.57 0.00 0.00 177.10 176.31 1k78 h PRO 107 N 6.81 0.00 -0.01 -0.60 0.11 -1.43 -1.07 132.00 135.81 1k78 h PRO 107 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1k78 h PRO 107 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1k78 h PRO 107 CO 0.28 0.00 -0.26 0.25 -0.21 0.00 0.00 178.00 178.06 1k78 n THR 108 N -3.98 0.00 -1.70 -1.15 -2.24 -1.26 -4.92 114.28 99.03 1k78 n THR 108 Ca 0.10 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 1k78 n THR 108 Cb 0.68 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 1k78 n THR 108 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1k78 n MET 109 N -0.69 2.16 -2.13 -0.78 0.00 -0.41 -4.97 117.12 110.30 1k78 n MET 109 Ca 0.12 0.76 -0.29 0.00 0.00 0.00 0.00 57.70 58.29 1k78 n MET 109 Cb 0.35 -2.39 0.03 0.00 0.00 0.00 0.00 33.22 31.20 1k78 n MET 109 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1k78 s PHE 110 N -0.65 3.38 0.19 1.12 0.08 -1.26 -4.92 117.98 115.93 1k78 s PHE 110 Ca 0.60 0.93 -0.12 0.00 0.12 0.00 0.00 56.93 58.47 1k78 s PHE 110 Cb -0.59 -2.81 0.13 0.00 -0.57 0.00 0.00 43.02 39.17 1k78 s PHE 110 CO 0.57 -0.88 1.85 0.00 -0.10 0.00 0.00 175.22 176.66 1k78 h ALA 111 N -0.34 0.80 0.00 5.36 0.00 -1.94 -0.67 119.26 122.48 1k78 h ALA 111 Ca -0.45 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1k78 h ALA 111 Cb 1.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1k78 h ALA 111 CO 0.62 0.18 -0.28 0.11 0.00 0.00 0.00 179.25 179.88 1k78 h TRP 112 N 0.80 0.00 -0.01 0.00 5.08 -1.94 0.89 115.95 120.78 1k78 h TRP 112 Ca 0.24 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 60.03 1k78 h TRP 112 Cb -0.04 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.10 1k78 h TRP 112 CO -0.04 0.28 -0.79 0.93 -1.28 0.00 0.00 178.44 177.54 1k78 h GLU 113 N 0.00 0.14 -0.37 0.12 5.08 -1.76 -1.59 114.58 116.20 1k78 h GLU 113 Ca -0.00 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 1k78 h GLU 113 Cb 0.60 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1k78 h GLU 113 CO 0.04 0.86 -0.14 0.82 -1.00 0.00 0.00 179.01 179.58 1k78 h ILE 114 N 0.09 1.28 -0.98 3.13 2.04 -0.23 -1.61 117.51 121.24 1k78 h ILE 114 Ca -0.03 -1.25 0.08 0.00 1.00 0.00 0.00 64.86 64.66 1k78 h ILE 114 Cb 1.38 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 38.70 1k78 h ILE 114 CO 0.12 0.41 0.62 -0.09 0.00 0.00 0.00 178.15 179.21 1k78 h ARG 115 N 0.54 1.06 -0.25 2.37 2.43 -0.62 -0.89 114.38 119.02 1k78 h ARG 115 Ca 0.09 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 1k78 h ARG 115 Cb 0.67 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1k78 h ARG 115 CO 0.05 0.70 -0.47 -0.44 -1.51 0.00 0.00 179.97 178.29 1k78 h ASP 116 N 1.09 0.73 0.86 -3.80 3.32 -0.98 -2.97 116.42 114.67 1k78 h ASP 116 Ca 0.44 -0.36 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1k78 h ASP 116 Cb 0.24 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1k78 h ASP 116 CO -0.20 1.08 -0.56 -0.09 -1.72 0.00 0.00 179.24 177.75 1k78 h ARG 117 N 0.53 0.00 -0.70 3.56 2.43 -0.65 0.17 114.38 119.72 1k78 h ARG 117 Ca 0.03 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1k78 h ARG 117 Cb 1.02 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 1k78 h ARG 117 CO 0.10 0.56 0.25 -0.07 -1.51 0.00 0.00 179.97 179.30 1k78 h LEU 118 N 0.00 0.98 0.10 3.80 3.38 -1.12 -1.28 115.31 121.17 1k78 h LEU 118 Ca -0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1k78 h LEU 118 Cb 1.15 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1k78 h LEU 118 CO 0.07 0.89 -0.05 -0.07 0.09 0.00 0.00 178.44 179.38 1k78 h LEU 119 N 1.03 -0.11 -1.87 1.67 3.38 -1.34 0.13 115.31 118.20 1k78 h LEU 119 Ca 0.23 -0.45 0.10 0.00 0.09 0.00 0.00 57.88 57.84 1k78 h LEU 119 Cb 0.24 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1k78 h LEU 119 CO -0.01 0.54 0.48 0.00 0.09 0.00 0.00 178.44 179.53 1k78 h ALA 120 N -0.30 1.97 -0.01 1.53 0.00 -0.58 0.66 119.26 122.53 1k78 h ALA 120 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k78 h ALA 120 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1k78 h ALA 120 CO 0.02 -0.65 -0.33 0.39 0.00 0.00 0.00 179.25 178.68 1k78 n GLU 121 N -3.43 1.60 -3.05 0.00 1.02 -0.49 -5.00 120.64 111.28 1k78 n GLU 121 Ca 0.06 -0.90 -0.15 0.00 -0.02 0.00 0.00 57.16 56.15 1k78 n GLU 121 Cb 0.63 -1.31 0.04 0.00 -0.02 0.00 0.00 31.44 30.78 1k78 n GLU 121 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1k78 n ARG 122 N -0.02 -4.51 0.15 3.49 1.74 0.23 -4.90 116.66 112.84 1k78 n ARG 122 Ca 0.07 0.57 0.12 0.00 -0.77 0.00 0.00 57.85 57.85 1k78 n ARG 122 Cb 0.37 -4.78 0.19 0.00 -1.02 0.00 0.00 32.46 27.22 1k78 n ARG 122 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1k78 h VAL 123 N -1.46 0.00 -4.10 1.55 2.07 -1.00 -3.46 116.25 109.85 1k78 h VAL 123 Ca -0.37 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 1k78 h VAL 123 Cb 1.24 1.67 -0.15 0.00 -1.52 0.00 0.00 31.29 32.53 1k78 h VAL 123 CO 0.37 0.00 -0.59 0.00 0.02 0.00 0.00 177.57 177.37 1k78 n ASP 125 N 0.14 2.06 0.00 0.00 9.92 -1.26 -4.58 116.55 122.82 1k78 n ASP 125 Ca -0.15 -2.51 0.11 0.00 -0.53 0.00 0.00 54.79 51.71 1k78 n ASP 125 Cb 0.61 -0.43 0.63 0.00 -0.64 0.00 0.00 41.12 41.29 1k78 n ASP 125 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1k78 n ASN 126 N -2.36 0.00 -0.05 -2.24 3.02 -1.26 -1.20 115.26 111.17 1k78 n ASN 126 Ca 0.16 -0.64 -0.05 0.00 -0.03 0.00 0.00 54.58 54.02 1k78 n ASN 126 Cb 0.59 -0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.68 1k78 n ASN 126 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1k78 n ASP 127 N -1.01 2.67 0.08 6.41 8.00 -1.26 -4.66 116.55 126.78 1k78 n ASP 127 Ca 0.16 -0.01 -0.17 0.00 0.71 0.00 0.00 54.79 55.48 1k78 n ASP 127 Cb 0.08 0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 41.68 1k78 n ASP 127 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1k78 h THR 128 N 0.00 1.25 -1.73 -3.53 2.02 -1.82 -3.47 112.91 105.63 1k78 h THR 128 Ca -0.26 -2.86 -0.68 0.00 0.77 0.00 0.00 66.41 63.38 1k78 h THR 128 Cb 1.58 2.83 0.04 0.00 -1.74 0.00 0.00 68.15 70.85 1k78 h THR 128 CO 0.01 0.84 0.71 0.55 0.37 0.00 0.00 175.52 177.99 1k78 n VAL 129 N -3.49 0.16 -1.90 3.16 3.14 -0.34 -4.74 118.33 114.32 1k78 n VAL 129 Ca -0.14 -0.03 -0.35 0.00 -2.96 0.00 0.00 64.34 60.85 1k78 n VAL 129 Cb 1.04 -1.14 0.04 0.00 -1.06 0.00 0.00 33.84 32.73 1k78 n VAL 129 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1k78 s PRO 130 N 1.92 2.83 0.99 1.45 0.02 -1.26 -5.01 135.00 135.94 1k78 s PRO 130 Ca 0.89 1.75 -0.13 0.00 0.02 0.00 0.00 61.00 63.53 1k78 s PRO 130 Cb -0.94 -1.92 0.18 0.00 0.02 0.00 0.00 34.50 31.84 1k78 s PRO 130 CO 0.53 -1.30 1.12 -1.54 -0.33 0.00 0.00 177.00 175.48 1k78 s SER 131 N -1.80 2.76 0.22 2.53 1.04 -1.26 -4.78 113.70 112.42 1k78 s SER 131 Ca 0.75 0.98 -0.07 0.00 0.48 0.00 0.00 55.95 58.10 1k78 s SER 131 Cb -0.29 -1.54 0.19 0.00 0.10 0.00 0.00 66.02 64.49 1k78 s SER 131 CO 0.36 -3.02 1.77 0.58 0.98 0.00 0.00 173.24 173.90 1k78 h VAL 132 N -1.82 1.26 -0.04 5.02 2.07 -1.95 -1.12 116.25 119.67 1k78 h VAL 132 Ca -0.52 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1k78 h VAL 132 Cb 1.33 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1k78 h VAL 132 CO 0.56 0.35 0.02 0.28 0.02 0.00 0.00 177.57 178.80 1k78 h SER 133 N 1.07 0.04 -0.56 0.57 0.02 -1.99 -1.99 113.55 110.71 1k78 h SER 133 Ca 0.24 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1k78 h SER 133 Cb 0.29 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1k78 h SER 133 CO -0.01 0.05 0.36 0.28 -1.14 0.00 0.00 176.83 176.37 1k78 h SER 134 N 0.03 0.59 -0.42 3.07 0.02 -1.85 0.28 113.55 115.27 1k78 h SER 134 Ca 0.01 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1k78 h SER 134 Cb 0.02 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1k78 h SER 134 CO -0.00 0.42 0.20 0.40 -1.14 0.00 0.00 176.83 176.71 1k78 h ILE 135 N 0.71 0.96 -0.43 3.27 2.04 -0.99 0.91 117.51 123.97 1k78 h ILE 135 Ca 0.22 -0.14 -0.14 0.00 1.00 0.00 0.00 64.86 65.80 1k78 h ILE 135 Cb -0.02 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1k78 h ILE 135 CO -0.08 0.07 -0.29 0.78 0.00 0.00 0.00 178.15 178.64 1k78 h ASN 136 N 0.41 1.00 -0.61 1.72 2.35 -1.00 0.85 115.58 120.31 1k78 h ASN 136 Ca 0.18 -0.43 0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1k78 h ASN 136 Cb 0.10 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1k78 h ASN 136 CO -0.14 1.22 0.39 -0.09 -1.65 0.00 0.00 177.43 177.16 1k78 h ARG 137 N 0.80 0.76 -0.42 0.81 2.43 0.21 0.15 114.38 119.12 1k78 h ARG 137 Ca 0.09 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1k78 h ARG 137 Cb 0.87 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1k78 h ARG 137 CO 0.08 0.51 0.23 0.82 -1.51 0.00 0.00 179.97 180.10 1k78 h ILE 138 N 0.79 1.16 -0.08 1.20 2.04 0.12 0.22 117.51 122.95 1k78 h ILE 138 Ca 0.23 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.72 1k78 h ILE 138 Cb -0.04 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1k78 h ILE 138 CO -0.07 0.16 -0.17 0.40 0.00 0.00 0.00 178.15 178.47 1k78 h ILE 139 N 0.55 0.56 -0.13 -0.67 1.08 -0.00 -3.06 117.51 115.84 1k78 h ILE 139 Ca 0.15 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.62 1k78 h ILE 139 Cb 0.06 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 1k78 h ILE 139 CO -0.02 0.00 0.07 0.03 -0.69 0.00 0.00 178.15 177.53 1k78 h ARG 140 N -0.24 0.14 0.00 2.37 3.08 -0.45 -3.41 114.38 115.86 1k78 h ARG 140 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1k78 h ARG 140 Cb 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1k78 h ARG 140 CO -0.23 0.09 0.00 2.41 -1.07 0.00 0.00 179.97 181.17 1k78 n THR 141 N -5.03 0.00 0.04 2.04 -1.04 0.04 -5.10 114.28 105.24 1k78 n THR 141 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1k78 n THR 141 Cb 0.04 -0.03 0.02 0.00 -1.82 0.00 0.00 70.33 68.54 1k78 n THR 141 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60