#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c01 s ALA 2 N 0.00 -1.13 -0.85 7.33 0.00 -0.57 -4.37 121.76 122.16 1c01 s ALA 2 Ca 0.00 1.62 -0.17 0.00 0.00 0.00 0.00 51.96 53.41 1c01 s ALA 2 Cb 0.00 -0.98 0.16 0.00 0.00 0.00 0.00 23.12 22.30 1c01 s ALA 2 CO 0.00 -0.28 0.95 0.12 0.00 0.00 0.00 175.76 176.56 1c01 s PHE 3 N 1.42 3.33 0.48 0.00 5.36 -0.13 -1.25 117.98 127.19 1c01 s PHE 3 Ca -0.10 -1.55 -0.21 0.00 -0.96 0.00 0.00 56.93 54.12 1c01 s PHE 3 Cb -0.08 -4.09 -0.08 0.00 -0.34 0.00 0.00 43.02 38.43 1c01 s PHE 3 CO -0.13 -1.29 1.07 0.99 -1.46 0.00 0.00 175.22 174.39 1c01 s THR 4 N 1.81 3.58 -0.13 0.12 2.01 -0.66 -2.29 115.64 120.07 1c01 s THR 4 Ca 0.25 1.04 -0.11 0.00 0.31 0.00 0.00 61.69 63.19 1c01 s THR 4 Cb -0.09 -3.46 0.04 0.00 0.01 0.00 0.00 72.50 69.00 1c01 s THR 4 CO -0.07 -0.15 0.34 0.68 -0.69 0.00 0.00 174.62 174.72 1c01 s VAL 5 N -1.83 -0.01 0.19 3.82 -7.23 -0.60 -0.74 120.40 114.01 1c01 s VAL 5 Ca 0.66 0.03 0.08 0.00 -1.81 0.00 0.00 61.98 60.95 1c01 s VAL 5 Cb -0.20 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 1c01 s VAL 5 CO 0.24 0.01 -0.05 0.26 -0.31 0.00 0.00 175.10 175.26 1c01 s TRP 6 N 0.53 2.72 0.14 2.82 0.51 -0.08 -1.38 118.94 124.19 1c01 s TRP 6 Ca -0.03 -0.19 -0.13 0.00 -2.12 0.00 0.00 56.10 53.63 1c01 s TRP 6 Cb -0.04 -1.31 -0.01 0.00 -0.81 0.00 0.00 33.47 31.30 1c01 s TRP 6 CO -0.03 0.53 1.57 1.03 -0.51 0.00 0.00 176.95 179.54 1c01 h SER 7 N 2.70 0.79 0.00 2.95 0.87 -1.81 -2.10 113.55 116.95 1c01 h SER 7 Ca -0.46 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 59.77 1c01 h SER 7 Cb 1.21 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1c01 h SER 7 CO 0.56 0.93 0.00 0.61 -0.53 0.00 0.00 176.83 178.40 1c01 n GLY 8 N -0.31 2.56 0.07 5.77 0.00 -1.26 -1.35 105.19 110.67 1c01 n GLY 8 Ca -0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 1c01 n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c01 h PRO 9 N 0.00 -0.03 0.00 1.61 0.13 -1.90 -3.40 132.00 128.41 1c01 h PRO 9 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1c01 h PRO 9 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1c01 h PRO 9 CO 0.00 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 1c01 n GLY 10 N 1.21 1.01 2.71 1.56 0.00 -1.26 -4.14 105.19 106.28 1c01 n GLY 10 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1c01 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c01 n ASN 12 N -0.39 0.54 0.00 0.00 3.02 -1.26 -5.05 115.26 112.12 1c01 n ASN 12 Ca 0.42 -2.78 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 1c01 n ASN 12 Cb 0.44 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1c01 n ASN 12 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1c01 n ASN 13 N 1.29 0.00 -4.16 6.41 0.23 -1.26 -4.45 115.26 113.32 1c01 n ASN 13 Ca 0.22 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.97 1c01 n ASN 13 Cb 0.53 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.41 1c01 n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1c01 s ARG 14 N -0.17 0.66 0.33 -3.83 1.04 -1.26 -4.94 118.95 110.79 1c01 s ARG 14 Ca 0.00 -0.37 -0.17 0.00 -1.04 0.00 0.00 55.73 54.14 1c01 s ARG 14 Cb 0.00 -1.84 0.06 0.00 -2.04 0.00 0.00 34.95 31.13 1c01 s ARG 14 CO 0.00 -2.41 0.86 0.00 -0.04 0.00 0.00 175.30 173.71 1c01 s ALA 15 N -3.85 -0.97 -0.08 7.88 0.00 -1.26 -3.39 121.76 120.09 1c01 s ALA 15 Ca 0.73 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 1c01 s ALA 15 Cb -0.04 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.82 1c01 s ALA 15 CO 0.53 -1.01 0.16 -1.21 0.00 0.00 0.00 175.76 174.23 1c01 s GLU 16 N -2.28 0.04 -0.53 0.00 2.02 -0.48 -4.97 118.70 112.50 1c01 s GLU 16 Ca 0.17 0.53 -0.15 0.00 0.02 0.00 0.00 54.97 55.53 1c01 s GLU 16 Cb -0.04 -0.26 0.13 0.00 0.10 0.00 0.00 34.13 34.06 1c01 s GLU 16 CO 0.10 -0.28 0.49 1.03 0.02 0.00 0.00 175.26 176.61 1c01 s ARG 17 N 2.10 2.95 -0.93 1.61 0.52 -1.26 -1.55 118.95 122.39 1c01 s ARG 17 Ca 0.01 -1.71 -0.23 0.00 -0.52 0.00 0.00 55.73 53.28 1c01 s ARG 17 Cb -0.12 -4.27 0.06 0.00 0.52 0.00 0.00 34.95 31.14 1c01 s ARG 17 CO -0.06 -1.32 1.34 0.71 0.02 0.00 0.00 175.30 175.99 1c01 s TYR 18 N 1.58 2.58 -0.17 -0.53 2.02 -0.97 -4.74 117.35 117.12 1c01 s TYR 18 Ca 0.03 -0.75 0.14 0.00 -0.37 0.00 0.00 57.07 56.12 1c01 s TYR 18 Cb -0.30 -4.60 -0.20 0.00 -0.40 0.00 0.00 41.96 36.46 1c01 s TYR 18 CO 0.03 -1.88 0.03 0.45 -1.57 0.00 0.00 175.55 172.60 1c01 n SER 19 N 8.57 0.98 -4.71 2.29 2.88 -1.26 -0.95 113.62 121.42 1c01 n SER 19 Ca 0.24 -0.01 -0.42 0.00 -1.33 0.00 0.00 58.87 57.34 1c01 n SER 19 Cb 0.50 0.77 -0.03 0.00 -0.75 0.00 0.00 64.21 64.70 1c01 n SER 19 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1c01 s LYS 20 N -2.41 4.13 -0.02 -1.46 2.20 -1.26 -4.59 119.74 116.32 1c01 s LYS 20 Ca -0.11 2.61 -0.30 0.00 -0.36 0.00 0.00 55.97 57.81 1c01 s LYS 20 Cb 0.05 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 1c01 s LYS 20 CO 0.67 -0.80 1.46 0.00 -0.36 0.00 0.00 175.35 176.33 1c01 n GLY 22 N 3.77 0.44 3.09 0.00 0.00 0.34 -4.90 105.19 107.94 1c01 n GLY 22 Ca 0.14 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1c01 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c01 s SER 24 N 3.12 7.12 0.29 0.00 1.04 -0.63 -4.24 113.70 120.41 1c01 s SER 24 Ca 0.48 1.34 -0.28 0.00 0.48 0.00 0.00 55.95 57.97 1c01 s SER 24 Cb 0.09 -2.45 -0.09 0.00 0.10 0.00 0.00 66.02 63.66 1c01 s SER 24 CO -0.01 -0.07 0.96 0.00 0.98 0.00 0.00 173.24 175.10 1c01 s ALA 25 N 0.42 3.27 0.09 5.32 0.00 -1.26 -1.09 121.76 128.51 1c01 s ALA 25 Ca 0.39 0.60 0.07 0.00 0.00 0.00 0.00 51.96 53.02 1c01 s ALA 25 Cb -0.19 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1c01 s ALA 25 CO 0.21 0.14 -0.10 0.42 0.00 0.00 0.00 175.76 176.43 1c01 s ILE 26 N -1.42 3.38 0.00 0.00 1.09 -0.47 -4.94 121.20 118.85 1c01 s ILE 26 Ca 0.47 -1.20 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 1c01 s ILE 26 Cb -0.23 -2.56 0.00 0.00 -1.06 0.00 0.00 42.46 38.61 1c01 s ILE 26 CO 0.28 0.15 0.68 1.41 -0.10 0.00 0.00 174.94 177.37 1c01 n HIS 27 N 0.84 0.00 -3.49 3.97 8.25 -1.26 -4.73 115.22 118.80 1c01 n HIS 27 Ca -0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.90 1c01 n HIS 27 Cb 0.52 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.55 1c01 n HIS 27 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1c01 s GLN 28 N 0.00 2.79 -1.24 -0.41 1.11 -1.26 -4.99 119.66 115.66 1c01 s GLN 28 Ca 0.00 -1.44 -0.05 0.00 0.01 0.00 0.00 55.36 53.88 1c01 s GLN 28 Cb 0.00 -3.97 0.11 0.00 -1.01 0.00 0.00 33.01 28.14 1c01 s GLN 28 CO 0.00 -1.02 2.44 1.63 0.01 0.00 0.00 175.29 178.35 1c01 n LYS 29 N 5.06 4.38 0.00 2.91 4.01 -1.24 -4.56 118.16 128.72 1c01 n LYS 29 Ca -0.11 -3.33 0.00 0.00 -0.51 0.00 0.00 58.31 54.35 1c01 n LYS 29 Cb 0.43 -2.59 0.00 0.00 -0.51 0.00 0.00 35.03 32.36 1c01 n LYS 29 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1c01 n GLY 30 N 1.67 0.18 3.68 0.72 0.00 -0.46 -4.54 105.19 106.43 1c01 n GLY 30 Ca 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.53 1c01 n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c01 s GLY 31 N -2.21 0.66 -0.28 -0.02 0.00 0.30 -0.68 107.32 105.08 1c01 s GLY 31 Ca 0.00 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 43.61 1c01 s GLY 31 CO 0.00 -0.54 0.73 -2.52 0.00 0.00 0.00 173.10 170.76 1c01 s TYR 32 N -3.15 -0.97 -0.35 1.90 -0.85 0.20 -0.90 117.35 113.23 1c01 s TYR 32 Ca 0.21 2.00 -0.01 0.00 -0.52 0.00 0.00 57.07 58.74 1c01 s TYR 32 Cb -0.03 0.55 0.09 0.00 0.38 0.00 0.00 41.96 42.95 1c01 s TYR 32 CO 0.13 -0.48 0.09 -0.51 -1.52 0.00 0.00 175.55 173.26 1c01 s ASP 33 N 1.38 5.00 0.54 -0.18 1.11 0.08 -0.69 116.67 123.92 1c01 s ASP 33 Ca -0.08 -1.78 -0.16 0.00 0.18 0.00 0.00 52.55 50.71 1c01 s ASP 33 Cb -0.05 -1.74 -0.07 0.00 1.07 0.00 0.00 42.92 42.14 1c01 s ASP 33 CO -0.16 -0.40 1.01 0.12 1.18 0.00 0.00 175.17 176.91 1c01 s PHE 34 N 1.13 3.35 -0.25 4.23 5.36 -0.22 -1.65 117.98 129.92 1c01 s PHE 34 Ca 0.04 1.47 -0.03 0.00 -0.96 0.00 0.00 56.93 57.44 1c01 s PHE 34 Cb -0.21 -2.84 0.10 0.00 -0.34 0.00 0.00 43.02 39.73 1c01 s PHE 34 CO -0.04 -0.56 0.17 -1.12 -1.46 0.00 0.00 175.22 172.21 1c01 s SER 35 N -3.06 2.56 -0.36 6.13 0.01 -0.38 -1.05 113.70 117.55 1c01 s SER 35 Ca 0.60 -0.88 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 1c01 s SER 35 Cb -0.11 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.11 1c01 s SER 35 CO 0.34 -0.39 1.23 -0.47 0.41 0.00 0.00 173.24 174.36 1c01 s TYR 36 N 2.20 2.77 0.00 2.43 5.04 -1.26 -1.52 117.35 127.02 1c01 s TYR 36 Ca 0.07 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.59 1c01 s TYR 36 Cb -0.15 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.12 1c01 s TYR 36 CO -0.27 -1.45 0.00 0.25 -1.34 0.00 0.00 175.55 172.74 1c01 n THR 37 N 6.39 0.00 -0.06 4.34 -2.24 -1.26 -4.61 114.28 116.84 1c01 n THR 37 Ca 0.14 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.87 1c01 n THR 37 Cb 0.47 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1c01 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c01 n GLY 38 N 0.55 -0.81 3.82 3.38 0.00 -1.26 -4.62 105.19 106.24 1c01 n GLY 38 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1c01 n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1c01 s GLN 39 N -2.09 2.15 1.20 1.61 2.00 -1.26 -4.74 119.66 118.53 1c01 s GLN 39 Ca -0.14 -1.36 -0.17 0.00 -2.00 0.00 0.00 55.36 51.69 1c01 s GLN 39 Cb 0.02 0.61 0.29 0.00 0.80 0.00 0.00 33.01 34.73 1c01 s GLN 39 CO 0.21 -1.00 1.05 0.95 -0.50 0.00 0.00 175.29 175.99 1c01 s THR 40 N -2.49 1.68 -0.29 -0.34 -4.23 -1.26 -4.63 115.64 104.08 1c01 s THR 40 Ca 0.15 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.53 1c01 s THR 40 Cb -0.05 -2.31 0.11 0.00 1.34 0.00 0.00 72.50 71.59 1c01 s THR 40 CO 0.11 0.00 0.68 0.00 -0.54 0.00 0.00 174.62 174.87 1c01 s ALA 41 N -2.73 -2.00 0.48 3.99 0.00 -1.05 -1.24 121.76 119.22 1c01 s ALA 41 Ca 0.69 2.37 0.02 0.00 0.00 0.00 0.00 51.96 55.04 1c01 s ALA 41 Cb -0.16 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1c01 s ALA 41 CO 0.59 -0.69 0.69 0.00 0.00 0.00 0.00 175.76 176.34 1c01 s ALA 42 N 2.33 3.97 -0.26 0.00 0.00 -0.79 -0.14 121.76 126.86 1c01 s ALA 42 Ca -0.08 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 1c01 s ALA 42 Cb -0.09 -2.00 0.08 0.00 0.00 0.00 0.00 23.12 21.11 1c01 s ALA 42 CO -0.19 -0.50 0.04 -1.17 0.00 0.00 0.00 175.76 173.94 1c01 s LEU 43 N -4.59 2.20 0.28 0.00 1.98 -0.35 -1.38 118.68 116.83 1c01 s LEU 43 Ca 0.53 -1.34 -0.16 0.00 -2.89 0.00 0.00 54.13 50.26 1c01 s LEU 43 Cb -0.10 -0.92 -0.09 0.00 0.66 0.00 0.00 46.19 45.74 1c01 s LEU 43 CO 0.37 -0.34 0.72 -0.31 -1.89 0.00 0.00 176.35 174.90 1c01 s TYR 44 N 1.58 3.48 -1.31 5.38 1.51 0.10 0.13 117.35 128.22 1c01 s TYR 44 Ca 0.03 1.26 0.16 0.00 -1.01 0.00 0.00 57.07 57.51 1c01 s TYR 44 Cb -0.18 -2.55 0.60 0.00 -0.11 0.00 0.00 41.96 39.72 1c01 s TYR 44 CO -0.15 0.19 1.49 0.09 -1.11 0.00 0.00 175.55 176.06 1c01 n ASN 45 N 0.06 3.98 -3.92 2.29 3.02 -1.15 -1.87 115.26 117.66 1c01 n ASN 45 Ca 0.01 -2.33 -0.13 0.00 -0.03 0.00 0.00 54.58 52.10 1c01 n ASN 45 Cb 0.52 -0.51 -0.14 0.00 -0.61 0.00 0.00 39.78 39.04 1c01 n ASN 45 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1c01 s GLN 46 N -1.72 0.22 0.06 3.52 -1.52 -1.26 -4.38 119.66 114.58 1c01 s GLN 46 Ca 0.43 -0.16 -0.36 0.00 -1.95 0.00 0.00 55.36 53.31 1c01 s GLN 46 Cb 0.27 -0.17 -0.15 0.00 -0.22 0.00 0.00 33.01 32.74 1c01 s GLN 46 CO 0.22 0.04 1.48 0.00 -0.25 0.00 0.00 175.29 176.78 1c01 n ALA 47 N 2.83 -0.12 -3.70 6.09 0.00 -1.26 -2.36 120.51 121.99 1c01 n ALA 47 Ca -0.14 0.47 -0.24 0.00 0.00 0.00 0.00 53.44 53.53 1c01 n ALA 47 Cb 0.59 -2.20 0.03 0.00 0.00 0.00 0.00 19.45 17.87 1c01 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c01 n GLY 48 N 3.07 -0.52 2.40 0.00 0.00 -1.26 -2.08 105.19 106.80 1c01 n GLY 48 Ca 0.19 0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 1c01 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c01 n SER 50 N -1.69 4.23 0.00 0.00 7.64 -0.88 -4.75 113.62 118.17 1c01 n SER 50 Ca -0.14 -2.31 0.00 0.00 1.01 0.00 0.00 58.87 57.42 1c01 n SER 50 Cb 0.59 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1c01 n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c01 n GLY 51 N 0.81 3.42 3.67 0.23 0.00 -1.26 -4.82 105.19 107.24 1c01 n GLY 51 Ca 0.05 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1c01 n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c01 s VAL 52 N -0.52 3.80 0.00 1.61 -7.23 -1.26 -4.97 120.40 111.83 1c01 s VAL 52 Ca 0.00 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 1c01 s VAL 52 Cb 0.00 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1c01 s VAL 52 CO 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 175.10 174.75 1c01 n ALA 53 N 0.10 0.00 0.21 1.32 0.00 -1.26 -2.96 120.51 117.92 1c01 n ALA 53 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1c01 n ALA 53 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1c01 n ALA 53 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1c01 n HIS 54 N -2.21 -4.06 -3.93 0.00 -0.00 0.35 -4.72 115.22 100.66 1c01 n HIS 54 Ca 0.00 1.26 -0.35 0.00 -0.00 0.00 0.00 57.72 58.63 1c01 n HIS 54 Cb 0.00 2.99 -0.14 0.00 -0.00 0.00 0.00 29.99 32.83 1c01 n HIS 54 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1c01 s THR 55 N -2.00 3.21 0.15 3.57 2.01 -1.24 -4.86 115.64 116.48 1c01 s THR 55 Ca 0.00 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.37 1c01 s THR 55 Cb 0.00 -2.46 -0.06 0.00 0.01 0.00 0.00 72.50 69.99 1c01 s THR 55 CO 0.00 0.43 0.42 -0.13 -0.69 0.00 0.00 174.62 174.65 1c01 s ARG 56 N 1.45 3.69 0.05 4.92 1.81 -1.26 -1.21 118.95 128.41 1c01 s ARG 56 Ca 0.06 0.05 0.04 0.00 -1.72 0.00 0.00 55.73 54.16 1c01 s ARG 56 Cb -0.14 -2.82 -0.03 0.00 -0.45 0.00 0.00 34.95 31.51 1c01 s ARG 56 CO -0.04 0.45 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.83 1c01 s PHE 57 N -1.65 1.11 0.00 -0.53 0.08 0.80 -4.95 117.98 112.84 1c01 s PHE 57 Ca 0.41 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 57.04 1c01 s PHE 57 Cb -0.12 -0.64 0.00 0.00 -0.57 0.00 0.00 43.02 41.69 1c01 s PHE 57 CO 0.23 0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.78 1c01 n GLY 58 N 1.57 1.00 3.48 4.36 0.00 -1.26 -2.54 105.19 111.79 1c01 n GLY 58 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1c01 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c01 s SER 59 N 0.00 -0.67 -0.44 1.61 0.01 -1.26 -4.85 113.70 108.10 1c01 s SER 59 Ca 0.00 1.20 -0.41 0.00 1.31 0.00 0.00 55.95 58.05 1c01 s SER 59 Cb 0.00 1.15 -0.17 0.00 0.21 0.00 0.00 66.02 67.20 1c01 s SER 59 CO 0.00 -0.21 1.56 -1.54 0.41 0.00 0.00 173.24 173.46 1c01 n SER 60 N 3.48 0.95 -4.10 2.44 3.41 -1.26 -4.60 113.62 113.95 1c01 n SER 60 Ca -0.17 0.92 -0.36 0.00 -0.26 0.00 0.00 58.87 59.00 1c01 n SER 60 Cb 0.57 -0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 63.65 1c01 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c01 s ALA 61 N 3.43 3.92 -1.02 7.33 0.00 -0.22 -4.90 121.76 130.32 1c01 s ALA 61 Ca 0.97 -3.58 -0.20 0.00 0.00 0.00 0.00 51.96 49.16 1c01 s ALA 61 Cb -1.33 -2.74 -0.09 0.00 0.00 0.00 0.00 23.12 18.96 1c01 s ALA 61 CO 0.69 -2.13 2.00 0.54 0.00 0.00 0.00 175.76 176.85 1c01 n ARG 62 N 2.86 1.95 -3.33 0.00 1.74 -1.26 -1.06 116.66 117.57 1c01 n ARG 62 Ca 0.15 -2.18 -0.30 0.00 -0.77 0.00 0.00 57.85 54.75 1c01 n ARG 62 Cb 0.37 -3.12 -0.04 0.00 -1.02 0.00 0.00 32.46 28.65 1c01 n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c01 s ALA 63 N 5.08 3.57 -0.27 7.54 0.00 0.13 -4.89 121.76 132.93 1c01 s ALA 63 Ca 0.56 -0.39 0.18 0.00 0.00 0.00 0.00 51.96 52.31 1c01 s ALA 63 Cb 0.12 -2.41 0.50 0.00 0.00 0.00 0.00 23.12 21.33 1c01 s ALA 63 CO 0.06 0.34 1.13 0.00 0.00 0.00 0.00 175.76 177.30 1c01 s ASN 65 N -3.75 4.27 1.17 0.00 0.01 -1.25 -4.16 114.94 111.24 1c01 s ASN 65 Ca 0.34 -0.23 -0.14 0.00 -0.71 0.00 0.00 52.86 52.12 1c01 s ASN 65 Cb 0.35 -0.90 0.28 0.00 0.41 0.00 0.00 41.25 41.39 1c01 s ASN 65 CO -0.02 0.29 1.03 -2.16 -1.51 0.00 0.00 177.10 174.73 1c01 s PRO 66 N -1.25 -0.99 0.00 -0.60 0.04 0.14 -3.87 135.00 128.48 1c01 s PRO 66 Ca 0.15 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1c01 s PRO 66 Cb -0.11 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.87 1c01 s PRO 66 CO 0.05 -3.72 0.00 1.97 0.04 0.00 0.00 177.00 175.34 1c01 n PHE 67 N -4.89 -0.92 -2.93 0.56 -1.74 -1.26 -4.97 117.46 101.31 1c01 n PHE 67 Ca 0.04 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.80 1c01 n PHE 67 Cb 0.56 0.00 0.03 0.00 1.52 0.00 0.00 39.48 41.59 1c01 n PHE 67 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1c01 n GLY 68 N 0.00 2.10 3.75 4.97 0.00 -1.26 -4.88 105.19 109.88 1c01 n GLY 68 Ca 0.00 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 1c01 n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1c01 s TRP 69 N -1.30 3.21 -0.13 1.61 0.51 -1.26 -4.87 118.94 116.71 1c01 s TRP 69 Ca 0.31 0.14 -0.20 0.00 -2.12 0.00 0.00 56.10 54.23 1c01 s TRP 69 Cb 0.34 -1.69 -0.25 0.00 -0.81 0.00 0.00 33.47 31.06 1c01 s TRP 69 CO -0.06 0.52 0.53 0.87 -0.51 0.00 0.00 176.95 178.30 1c01 h LYS 70 N 3.98 0.15 -3.09 4.98 6.56 -1.57 -3.41 116.57 124.16 1c01 h LYS 70 Ca -0.49 -0.25 -0.07 0.00 -1.06 0.00 0.00 60.65 58.78 1c01 h LYS 70 Cb 1.18 0.09 -0.15 0.00 -0.57 0.00 0.00 32.23 32.78 1c01 h LYS 70 CO 0.62 1.12 -0.06 -1.54 -2.06 0.00 0.00 179.45 177.52 1c01 s SER 71 N -6.85 -0.30 -0.13 0.86 1.04 -0.97 -1.37 113.70 105.99 1c01 s SER 71 Ca -0.21 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 1c01 s SER 71 Cb 0.03 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1c01 s SER 71 CO 0.72 -0.73 -0.11 -0.51 0.98 0.00 0.00 173.24 173.59 1c01 s ILE 72 N -2.88 3.29 -0.87 -1.02 2.07 -0.25 0.03 121.20 121.58 1c01 s ILE 72 Ca -0.03 -0.58 -0.13 0.00 -1.41 0.00 0.00 60.65 58.50 1c01 s ILE 72 Cb -0.00 -2.39 0.23 0.00 0.13 0.00 0.00 42.46 40.43 1c01 s ILE 72 CO -0.05 0.53 0.81 0.12 -1.91 0.00 0.00 174.94 174.44 1c01 s PHE 73 N 0.20 3.84 0.10 3.50 5.36 -0.48 -1.60 117.98 128.90 1c01 s PHE 73 Ca -0.06 -2.14 -0.24 0.00 -0.96 0.00 0.00 56.93 53.53 1c01 s PHE 73 Cb -0.15 -3.80 -0.07 0.00 -0.34 0.00 0.00 43.02 38.67 1c01 s PHE 73 CO 0.04 -0.98 0.72 0.42 -1.46 0.00 0.00 175.22 173.97 1c01 s ILE 74 N -0.09 4.59 0.63 3.12 1.01 -0.96 -1.89 121.20 127.61 1c01 s ILE 74 Ca 0.20 1.56 -0.02 0.00 0.00 0.00 0.00 60.65 62.39 1c01 s ILE 74 Cb -0.10 -4.07 0.05 0.00 0.01 0.00 0.00 42.46 38.35 1c01 s ILE 74 CO -0.09 0.47 0.90 -1.10 0.00 0.00 0.00 174.94 175.12 1c01 s GLN 75 N -0.71 2.32 0.00 2.79 -1.52 -0.37 -0.50 119.66 121.67 1c01 s GLN 75 Ca 0.35 -0.58 0.03 0.00 -1.95 0.00 0.00 55.36 53.21 1c01 s GLN 75 Cb -0.21 -2.34 0.02 0.00 -0.22 0.00 0.00 33.01 30.26 1c01 s GLN 75 CO 0.23 -1.00 0.59 0.00 -0.25 0.00 0.00 175.29 174.86