#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k76 s THR 4 N 0.00 4.15 -0.06 2.62 -1.32 -1.26 -5.04 115.64 114.73 1k76 s THR 4 Ca 0.00 -0.31 0.01 0.00 -1.21 0.00 0.00 61.69 60.18 1k76 s THR 4 Cb 0.00 -2.73 0.02 0.00 -1.51 0.00 0.00 72.50 68.28 1k76 s THR 4 CO 0.00 0.60 -0.05 -0.54 -2.21 0.00 0.00 174.62 172.42 1k76 s LYS 5 N -0.85 0.99 -0.04 7.08 1.02 -1.26 -5.04 119.74 121.64 1k76 s LYS 5 Ca 0.13 -0.13 0.07 0.00 0.02 0.00 0.00 55.97 56.06 1k76 s LYS 5 Cb -0.11 -1.02 -0.02 0.00 -0.52 0.00 0.00 37.83 36.16 1k76 s LYS 5 CO 0.02 -0.13 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.02 1k76 s PHE 6 N 1.16 2.42 0.12 3.18 0.08 -1.26 0.51 117.98 124.20 1k76 s PHE 6 Ca -0.07 -0.54 0.07 0.00 0.12 0.00 0.00 56.93 56.52 1k76 s PHE 6 Cb -0.14 -1.56 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1k76 s PHE 6 CO -0.01 -0.10 -0.17 0.14 -0.10 0.00 0.00 175.22 174.98 1k76 s VAL 7 N -0.41 1.55 -0.22 -0.44 -7.23 0.40 -0.13 120.40 113.91 1k76 s VAL 7 Ca 0.04 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1k76 s VAL 7 Cb -0.12 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.26 1k76 s VAL 7 CO 0.01 -0.27 -0.09 -1.58 -0.31 0.00 0.00 175.10 172.86 1k76 s GLN 8 N -2.40 3.07 0.66 4.82 0.74 0.21 0.31 119.66 127.07 1k76 s GLN 8 Ca 0.09 -0.81 -0.15 0.00 0.05 0.00 0.00 55.36 54.54 1k76 s GLN 8 Cb -0.07 -2.89 0.00 0.00 1.10 0.00 0.00 33.01 31.15 1k76 s GLN 8 CO 0.04 -0.28 1.12 0.00 -0.55 0.00 0.00 175.29 175.63 1k76 s ALA 9 N 1.37 2.44 -0.22 1.58 0.00 -1.09 0.17 121.76 126.00 1k76 s ALA 9 Ca 0.03 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.63 1k76 s ALA 9 Cb -0.15 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.69 1k76 s ALA 9 CO -0.06 -1.32 0.95 1.47 0.00 0.00 0.00 175.76 176.80 1k76 n LEU 10 N -2.37 1.99 -3.51 0.00 -0.00 0.04 0.20 117.00 113.36 1k76 n LEU 10 Ca 0.11 -1.79 -0.17 0.00 -0.00 0.00 0.00 56.01 54.16 1k76 n LEU 10 Cb 0.52 -0.04 -0.06 0.00 -0.00 0.00 0.00 43.42 43.84 1k76 n LEU 10 CO 0.47 0.49 0.43 0.12 -0.00 0.00 0.00 177.39 178.91 1k76 s PHE 11 N -0.83 -0.64 0.29 1.47 5.36 -1.25 -4.85 117.98 117.53 1k76 s PHE 11 Ca 0.05 1.03 -0.28 0.00 -0.96 0.00 0.00 56.93 56.77 1k76 s PHE 11 Cb 0.03 0.43 -0.09 0.00 -0.34 0.00 0.00 43.02 43.04 1k76 s PHE 11 CO 0.03 -0.64 0.97 -0.51 -1.46 0.00 0.00 175.22 173.61 1k76 s ASP 12 N -1.38 7.42 -0.17 6.13 1.01 -1.26 -3.76 116.67 124.67 1k76 s ASP 12 Ca -0.10 1.95 -0.01 0.00 0.71 0.00 0.00 52.55 55.10 1k76 s ASP 12 Cb -0.00 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.38 1k76 s ASP 12 CO 0.07 -0.01 -0.01 0.12 0.21 0.00 0.00 175.17 175.55 1k76 s PHE 13 N -1.38 1.32 -0.89 4.23 5.36 0.64 -4.96 117.98 122.31 1k76 s PHE 13 Ca 0.46 -0.89 -0.03 0.00 -0.96 0.00 0.00 56.93 55.51 1k76 s PHE 13 Cb -0.23 -1.14 0.22 0.00 -0.34 0.00 0.00 43.02 41.53 1k76 s PHE 13 CO 0.29 -0.58 0.77 1.21 -1.46 0.00 0.00 175.22 175.46 1k76 s ASN 14 N 1.76 6.05 -0.22 6.13 3.84 -1.26 -2.88 114.94 128.35 1k76 s ASN 14 Ca 0.00 -3.62 -0.29 0.00 0.21 0.00 0.00 52.86 49.17 1k76 s ASN 14 Cb -0.16 -1.93 0.01 0.00 -0.55 0.00 0.00 41.25 38.62 1k76 s ASN 14 CO -0.07 -0.21 1.02 -2.16 -2.79 0.00 0.00 177.10 172.89 1k76 s PRO 15 N -1.20 4.26 0.31 0.43 0.04 -1.26 -4.86 135.00 132.72 1k76 s PRO 15 Ca 0.27 1.33 0.24 0.00 0.04 0.00 0.00 61.00 62.88 1k76 s PRO 15 Cb -0.09 -3.64 0.55 0.00 0.04 0.00 0.00 34.50 31.36 1k76 s PRO 15 CO -0.11 -0.61 1.66 0.37 0.04 0.00 0.00 177.00 178.35 1k76 h GLN 16 N 7.45 0.00 -5.98 4.56 5.75 -1.96 -3.47 115.11 121.46 1k76 h GLN 16 Ca -0.20 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 57.75 1k76 h GLN 16 Cb 1.07 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.56 1k76 h GLN 16 CO 0.97 0.00 -0.41 -1.21 -2.65 0.00 0.00 178.83 175.52 1k76 s GLU 17 N -3.16 2.33 0.24 1.69 2.02 -1.26 -5.11 118.70 115.45 1k76 s GLU 17 Ca 0.08 -1.79 -0.10 0.00 0.02 0.00 0.00 54.97 53.18 1k76 s GLU 17 Cb 0.09 -2.13 -0.07 0.00 0.10 0.00 0.00 34.13 32.11 1k76 s GLU 17 CO 0.64 -0.26 0.57 -1.54 0.02 0.00 0.00 175.26 174.69 1k76 s SER 18 N -4.06 6.64 0.00 -0.19 1.04 -1.26 -4.15 113.70 111.72 1k76 s SER 18 Ca 0.41 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.80 1k76 s SER 18 Cb 0.00 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1k76 s SER 18 CO 0.24 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1k76 n GLY 19 N -0.16 2.23 3.77 7.32 0.00 -1.26 -5.05 105.19 112.04 1k76 n GLY 19 Ca 0.01 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 1k76 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k76 s GLU 20 N 0.00 4.11 0.38 1.61 2.02 -1.26 0.42 118.70 125.98 1k76 s GLU 20 Ca 0.00 0.25 -0.24 0.00 0.02 0.00 0.00 54.97 55.00 1k76 s GLU 20 Cb 0.00 -3.35 -0.10 0.00 0.10 0.00 0.00 34.13 30.78 1k76 s GLU 20 CO 0.00 0.40 0.98 -1.17 0.02 0.00 0.00 175.26 175.48 1k76 s LEU 21 N -0.07 4.16 -0.38 1.80 2.96 -0.96 -4.59 118.68 121.59 1k76 s LEU 21 Ca 0.21 1.85 -0.16 0.00 -0.22 0.00 0.00 54.13 55.81 1k76 s LEU 21 Cb -0.14 -4.23 0.01 0.00 0.50 0.00 0.00 46.19 42.33 1k76 s LEU 21 CO 0.08 -0.29 0.40 0.00 -1.32 0.00 0.00 176.35 175.22 1k76 s ALA 22 N -1.80 3.46 0.20 5.97 0.00 -1.26 -4.66 121.76 123.67 1k76 s ALA 22 Ca 0.56 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1k76 s ALA 22 Cb -0.17 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1k76 s ALA 22 CO 0.22 -1.35 0.07 -0.59 0.00 0.00 0.00 175.76 174.11 1k76 s PHE 23 N 2.06 1.24 0.00 0.00 -0.71 -1.14 -4.92 117.98 114.51 1k76 s PHE 23 Ca 0.12 -1.19 0.00 0.00 -1.04 0.00 0.00 56.93 54.82 1k76 s PHE 23 Cb -0.17 -0.69 0.00 0.00 -1.21 0.00 0.00 43.02 40.95 1k76 s PHE 23 CO 0.12 -0.40 0.00 1.63 -1.34 0.00 0.00 175.22 175.24 1k76 n LYS 24 N -0.29 2.31 -2.49 1.99 5.02 -1.26 -0.26 118.16 123.18 1k76 n LYS 24 Ca -0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 1k76 n LYS 24 Cb 0.65 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.62 1k76 n LYS 24 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1k76 s ARG 25 N -0.86 4.59 -2.17 1.97 0.52 -1.25 -2.92 118.95 118.84 1k76 s ARG 25 Ca 0.00 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 56.96 1k76 s ARG 25 Cb 0.00 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.22 1k76 s ARG 25 CO 0.00 0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.82 1k76 n GLY 26 N 1.88 1.95 3.64 -3.53 0.00 0.55 -4.88 105.19 104.78 1k76 n GLY 26 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1k76 n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k76 s ASP 27 N -2.73 6.87 -0.58 1.61 2.15 -1.15 -4.64 116.67 118.20 1k76 s ASP 27 Ca 0.00 0.99 -0.27 0.00 0.43 0.00 0.00 52.55 53.70 1k76 s ASP 27 Cb 0.00 -2.49 -0.01 0.00 -0.30 0.00 0.00 42.92 40.12 1k76 s ASP 27 CO 0.00 -0.72 1.75 -0.69 -0.17 0.00 0.00 175.17 175.34 1k76 s VAL 28 N 3.26 3.45 -0.16 1.11 1.01 -1.25 -2.69 120.40 125.14 1k76 s VAL 28 Ca 0.40 0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 1k76 s VAL 28 Cb -0.14 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1k76 s VAL 28 CO 0.12 -0.95 0.12 -0.63 0.00 0.00 0.00 175.10 173.76 1k76 s ILE 29 N 8.16 5.35 -0.65 2.22 1.01 0.15 -4.83 121.20 132.60 1k76 s ILE 29 Ca 0.64 0.16 -0.24 0.00 0.00 0.00 0.00 60.65 61.21 1k76 s ILE 29 Cb -0.13 -3.38 0.05 0.00 0.01 0.00 0.00 42.46 39.01 1k76 s ILE 29 CO 0.22 0.52 1.06 -0.89 0.00 0.00 0.00 174.94 175.86 1k76 s THR 30 N -0.28 4.15 -0.10 2.92 2.01 0.09 -0.46 115.64 123.98 1k76 s THR 30 Ca 0.11 0.08 -0.38 0.00 0.31 0.00 0.00 61.69 61.81 1k76 s THR 30 Cb -0.12 -4.72 -0.15 0.00 0.01 0.00 0.00 72.50 67.52 1k76 s THR 30 CO 0.01 -1.48 1.63 -0.11 -0.69 0.00 0.00 174.62 173.98 1k76 n LEU 31 N 8.15 2.42 -0.03 4.42 7.94 0.18 0.13 117.00 140.22 1k76 n LEU 31 Ca 0.00 1.07 -0.22 0.00 -1.11 0.00 0.00 56.01 55.76 1k76 n LEU 31 Cb 0.47 -1.22 -0.13 0.00 0.53 0.00 0.00 43.42 43.07 1k76 n LEU 31 CO 0.66 -0.53 -0.71 0.40 -1.11 0.00 0.00 177.39 176.10 1k76 h ILE 32 N 4.55 0.73 -2.12 1.96 2.04 0.46 -3.41 117.51 121.72 1k76 h ILE 32 Ca -0.47 -2.29 0.22 0.00 1.00 0.00 0.00 64.86 63.32 1k76 h ILE 32 Cb 1.31 2.42 -0.08 0.00 -0.74 0.00 0.00 36.82 39.73 1k76 h ILE 32 CO 0.90 0.71 0.61 0.54 0.00 0.00 0.00 178.15 180.91 1k76 s ASN 33 N -7.00 -0.11 -0.41 1.72 6.03 -1.14 -4.98 114.94 109.04 1k76 s ASN 33 Ca -0.24 -0.37 0.09 0.00 -1.03 0.00 0.00 52.86 51.31 1k76 s ASN 33 Cb 0.06 0.39 0.42 0.00 -3.03 0.00 0.00 41.25 39.09 1k76 s ASN 33 CO 0.72 -0.73 1.03 0.29 -2.03 0.00 0.00 177.10 176.38 1k76 n LYS 34 N -0.53 2.64 -0.13 3.55 5.02 -1.26 -0.37 118.16 127.08 1k76 n LYS 34 Ca -0.06 -4.13 0.26 0.00 -2.02 0.00 0.00 58.31 52.36 1k76 n LYS 34 Cb 0.61 -1.93 0.71 0.00 -0.02 0.00 0.00 35.03 34.40 1k76 n LYS 34 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1k76 h ASP 35 N 2.76 0.02 -3.19 4.39 1.82 -1.98 -3.37 116.42 116.86 1k76 h ASP 35 Ca 0.16 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.27 1k76 h ASP 35 Cb 0.96 -0.00 -0.37 0.00 0.68 0.00 0.00 39.33 40.60 1k76 h ASP 35 CO 0.73 0.01 -0.81 -0.62 -1.61 0.00 0.00 179.24 176.94 1k76 s ASP 36 N -5.80 2.21 0.59 2.28 2.15 -1.12 -5.00 116.67 111.99 1k76 s ASP 36 Ca -0.05 -0.32 0.29 0.00 0.43 0.00 0.00 52.55 52.90 1k76 s ASP 36 Cb 0.21 -0.88 1.35 0.00 -0.30 0.00 0.00 42.92 43.31 1k76 s ASP 36 CO 0.76 -0.10 1.74 -0.65 -0.17 0.00 0.00 175.17 176.75 1k76 h PRO 37 N 8.10 0.00 0.00 4.34 0.11 -2.01 -1.63 132.00 140.91 1k76 h PRO 37 Ca -0.31 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.44 1k76 h PRO 37 Cb 1.13 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1k76 h PRO 37 CO 0.42 0.00 -2.33 0.09 -0.21 0.00 0.00 178.00 175.97 1k76 n ASN 38 N -3.62 2.11 -4.46 -2.05 4.13 -1.26 -4.87 115.26 105.25 1k76 n ASN 38 Ca 0.14 -0.04 -0.43 0.00 1.68 0.00 0.00 54.58 55.93 1k76 n ASN 38 Cb 0.94 -0.44 -0.10 0.00 -1.54 0.00 0.00 39.78 38.64 1k76 n ASN 38 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1k76 s TRP 39 N -2.46 3.24 -0.05 3.10 0.52 -0.61 0.25 118.94 122.92 1k76 s TRP 39 Ca -0.32 -0.59 -0.01 0.00 0.02 0.00 0.00 56.10 55.20 1k76 s TRP 39 Cb 0.09 -2.57 -0.04 0.00 -1.15 0.00 0.00 33.47 29.81 1k76 s TRP 39 CO 0.51 -0.58 0.03 -1.58 0.02 0.00 0.00 176.95 175.35 1k76 s TRP 40 N 1.67 3.19 0.14 -1.98 0.52 0.15 -2.78 118.94 119.86 1k76 s TRP 40 Ca 0.05 0.19 -0.15 0.00 0.02 0.00 0.00 56.10 56.21 1k76 s TRP 40 Cb -0.19 -1.76 -0.07 0.00 -1.15 0.00 0.00 33.47 30.30 1k76 s TRP 40 CO 0.10 0.50 0.56 -2.00 0.02 0.00 0.00 176.95 176.13 1k76 s GLU 41 N -1.20 4.01 0.08 4.98 2.12 0.50 -1.25 118.70 127.93 1k76 s GLU 41 Ca 0.17 0.53 -0.12 0.00 0.36 0.00 0.00 54.97 55.90 1k76 s GLU 41 Cb -0.12 -2.95 0.01 0.00 0.26 0.00 0.00 34.13 31.34 1k76 s GLU 41 CO 0.06 0.49 0.27 0.20 -0.54 0.00 0.00 175.26 175.74 1k76 s GLY 42 N -1.67 -0.06 -0.17 -1.50 0.00 0.96 0.11 107.32 104.99 1k76 s GLY 42 Ca 0.37 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.84 1k76 s GLY 42 CO 0.19 -0.47 -0.19 1.62 0.00 0.00 0.00 173.10 174.26 1k76 s GLN 43 N -3.29 3.05 -1.00 2.90 0.74 0.35 -1.79 119.66 120.63 1k76 s GLN 43 Ca 0.00 -0.81 -0.09 0.00 0.05 0.00 0.00 55.36 54.51 1k76 s GLN 43 Cb 0.02 -2.59 0.25 0.00 1.10 0.00 0.00 33.01 31.79 1k76 s GLN 43 CO -0.08 -0.15 0.96 -0.51 -0.55 0.00 0.00 175.29 174.96 1k76 s LEU 44 N 1.18 6.30 0.00 3.68 1.43 0.13 -0.73 118.68 130.66 1k76 s LEU 44 Ca 0.02 -3.38 0.00 0.00 -1.03 0.00 0.00 54.13 49.74 1k76 s LEU 44 Cb -0.14 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1k76 s LEU 44 CO -0.09 -0.34 0.00 -3.20 0.23 0.00 0.00 176.35 172.95 1k76 n ASN 45 N 2.97 0.00 0.00 2.29 2.85 -1.26 -2.89 115.26 119.22 1k76 n ASN 45 Ca 0.21 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 1k76 n ASN 45 Cb 0.41 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 1k76 n ASN 45 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1k76 n ASN 46 N 1.74 0.00 -4.82 1.20 4.13 -1.26 -5.11 115.26 111.14 1k76 n ASN 46 Ca 0.00 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.88 1k76 n ASN 46 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 1k76 n ASN 46 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1k76 s ARG 47 N -0.13 3.95 0.24 3.52 1.70 -1.14 -5.06 118.95 122.04 1k76 s ARG 47 Ca 0.00 0.39 0.07 0.00 -0.47 0.00 0.00 55.73 55.72 1k76 s ARG 47 Cb 0.00 -3.25 -0.04 0.00 -0.57 0.00 0.00 34.95 31.10 1k76 s ARG 47 CO 0.00 0.63 0.13 1.03 -1.08 0.00 0.00 175.30 176.02 1k76 s ARG 48 N -0.88 2.76 0.00 3.89 3.00 -1.26 0.21 118.95 126.67 1k76 s ARG 48 Ca 0.23 -1.11 0.00 0.00 0.00 0.00 0.00 55.73 54.85 1k76 s ARG 48 Cb -0.16 -2.48 0.00 0.00 0.00 0.00 0.00 34.95 32.31 1k76 s ARG 48 CO 0.12 0.41 0.00 0.41 0.00 0.00 0.00 175.30 176.24 1k76 n GLY 49 N -0.95 1.55 3.73 -3.53 0.00 -0.74 -4.36 105.19 100.89 1k76 n GLY 49 Ca -0.08 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 1k76 n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1k76 s ILE 50 N -2.00 4.17 -0.05 -0.61 -4.36 0.17 -0.02 121.20 118.49 1k76 s ILE 50 Ca 0.00 -1.06 -0.30 0.00 -0.26 0.00 0.00 60.65 59.03 1k76 s ILE 50 Cb 0.00 -3.05 0.11 0.00 1.25 0.00 0.00 42.46 40.77 1k76 s ILE 50 CO 0.00 0.01 0.93 0.72 0.24 0.00 0.00 174.94 176.85 1k76 s PHE 51 N -1.52 -0.33 -0.30 1.37 -0.71 -0.38 -2.26 117.98 113.84 1k76 s PHE 51 Ca 0.28 0.28 -0.28 0.00 -1.04 0.00 0.00 56.93 56.17 1k76 s PHE 51 Cb -0.11 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1k76 s PHE 51 CO 0.20 -0.48 2.09 -2.14 -1.34 0.00 0.00 175.22 173.55 1k76 s PRO 52 N -2.72 3.07 0.66 1.99 0.02 -1.26 0.30 135.00 137.06 1k76 s PRO 52 Ca 0.04 1.72 0.32 0.00 0.02 0.00 0.00 61.00 63.10 1k76 s PRO 52 Cb -0.01 -4.34 1.76 0.00 0.02 0.00 0.00 34.50 31.93 1k76 s PRO 52 CO -0.07 -2.18 2.00 0.66 -0.33 0.00 0.00 177.00 177.09 1k76 h SER 53 N 14.84 0.00 -0.07 2.53 4.64 -0.50 0.26 113.55 135.25 1k76 h SER 53 Ca -0.36 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.98 1k76 h SER 53 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1k76 h SER 53 CO 1.01 0.00 0.18 -1.13 -0.87 0.00 0.00 176.83 176.03 1k76 h ASN 54 N 0.00 0.00 -0.35 4.97 -0.73 -1.87 0.35 115.58 117.95 1k76 h ASN 54 Ca 0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1k76 h ASN 54 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1k76 h ASN 54 CO -0.00 0.00 0.00 -1.22 -0.37 0.00 0.00 177.43 175.84 1k76 n TYR 55 N -3.27 1.11 -3.47 0.67 4.01 0.90 -4.91 117.16 112.21 1k76 n TYR 55 Ca -0.01 -0.40 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 1k76 n TYR 55 Cb 0.27 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1k76 n TYR 55 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1k76 n VAL 56 N 0.44 0.00 -3.37 -0.72 0.24 0.12 -0.78 118.33 114.27 1k76 n VAL 56 Ca 0.16 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.48 1k76 n VAL 56 Cb 0.73 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.08 1k76 n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k76 s ALA 57 N -1.61 -2.27 -0.27 2.33 0.00 0.45 -4.78 121.76 115.61 1k76 s ALA 57 Ca 0.00 2.04 -0.41 0.00 0.00 0.00 0.00 51.96 53.59 1k76 s ALA 57 Cb 0.00 -2.02 -0.17 0.00 0.00 0.00 0.00 23.12 20.93 1k76 s ALA 57 CO 0.00 -1.15 1.64 -2.30 0.00 0.00 0.00 175.76 173.95 1k76 n PRO 58 N 5.41 0.88 -0.09 0.00 -0.02 -1.26 0.67 135.00 140.59 1k76 n PRO 58 Ca -0.06 0.32 -0.09 0.00 -2.02 0.00 0.00 63.50 61.65 1k76 n PRO 58 Cb 0.50 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1k76 n PRO 58 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1k76 n TYR 59 N 4.63 0.34 -3.99 6.00 9.36 0.03 -4.77 117.16 128.76 1k76 n TYR 59 Ca 0.26 0.15 -0.40 0.00 3.32 0.00 0.00 57.90 61.23 1k76 n TYR 59 Cb 0.10 -0.64 0.01 0.00 -0.63 0.00 0.00 39.34 38.19 1k76 n TYR 59 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1k76 n ASN 60 N -4.50 -3.93 -1.17 2.98 2.85 0.81 -3.31 115.26 108.98 1k76 n ASN 60 Ca -0.15 -1.16 -0.08 0.00 -0.11 0.00 0.00 54.58 53.09 1k76 n ASN 60 Cb 0.46 -1.47 -0.05 0.00 1.24 0.00 0.00 39.78 39.96 1k76 n ASN 60 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1k76 n SER 61 N -2.01 -0.16 0.00 1.20 7.64 -1.26 -4.93 113.62 114.09 1k76 n SER 61 Ca -0.15 -0.05 0.09 0.00 1.01 0.00 0.00 58.87 59.78 1k76 n SER 61 Cb 0.55 -0.19 0.56 0.00 -1.01 0.00 0.00 64.21 64.12 1k76 n SER 61 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83