#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 -2.08 -0.56 -0.43 0.00 -0.83 -4.65 121.76 113.21 1c01 s ALA 2 Ca 0.00 2.34 -0.19 0.00 0.00 0.00 0.00 51.96 54.10 1c01 s ALA 2 Cb 0.00 -1.75 0.08 0.00 0.00 0.00 0.00 23.12 21.45 1c01 s ALA 2 CO 0.00 -0.86 0.70 0.12 0.00 0.00 0.00 175.76 175.73 1c01 s PHE 3 N 2.69 2.98 0.36 0.00 5.36 -0.79 -1.08 117.98 127.50 1c01 s PHE 3 Ca -0.06 -0.71 -0.05 0.00 -0.96 0.00 0.00 56.93 55.14 1c01 s PHE 3 Cb -0.11 -3.84 -0.05 0.00 -0.34 0.00 0.00 43.02 38.69 1c01 s PHE 3 CO -0.19 -1.22 0.64 0.99 -1.46 0.00 0.00 175.22 173.98 1c01 s THR 4 N 2.83 4.97 -0.16 0.12 2.01 0.11 -1.15 115.64 124.36 1c01 s THR 4 Ca 0.15 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.12 1c01 s THR 4 Cb -0.21 -3.78 0.04 0.00 0.01 0.00 0.00 72.50 68.57 1c01 s THR 4 CO 0.09 -0.50 0.42 0.68 -0.69 0.00 0.00 174.62 174.63 1c01 s VAL 5 N -2.30 -0.00 0.10 3.82 -7.23 -0.11 -0.28 120.40 114.39 1c01 s VAL 5 Ca 0.45 0.01 0.05 0.00 -1.81 0.00 0.00 61.98 60.69 1c01 s VAL 5 Cb -0.10 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 1c01 s VAL 5 CO 0.34 0.00 -0.01 0.26 -0.31 0.00 0.00 175.10 175.39 1c01 s TRP 6 N 0.39 2.96 0.27 2.82 0.51 0.26 -0.98 118.94 125.16 1c01 s TRP 6 Ca -0.01 -0.05 -0.04 0.00 -2.12 0.00 0.00 56.10 53.88 1c01 s TRP 6 Cb -0.04 -1.51 0.34 0.00 -0.81 0.00 0.00 33.47 31.45 1c01 s TRP 6 CO -0.01 0.48 1.90 0.66 -0.51 0.00 0.00 176.95 179.46 1c01 h SER 7 N 3.37 1.00 -0.80 2.95 4.64 -1.80 -1.62 113.55 121.29 1c01 h SER 7 Ca -0.48 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1c01 h SER 7 Cb 1.17 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1c01 h SER 7 CO 0.59 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.95 1c01 n GLY 8 N -1.19 3.66 0.09 -0.77 0.00 -1.26 -1.74 105.19 103.98 1c01 n GLY 8 Ca 0.08 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.10 0.00 1.61 0.13 -1.92 -3.41 132.00 128.31 1c01 h PRO 9 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1c01 h PRO 9 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1c01 h PRO 9 CO 0.00 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 178.39 1c01 n GLY 10 N 1.39 1.84 2.66 1.56 0.00 -1.26 -3.33 105.19 108.04 1c01 n GLY 10 Ca -0.04 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 0.36 0.66 0.00 0.00 3.02 -1.26 -5.08 115.26 112.96 1c01 n ASN 12 Ca 0.53 -2.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 1c01 n ASN 12 Cb 0.31 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.74 0.00 -4.72 6.41 0.23 -1.26 -4.52 115.26 112.13 1c01 n ASN 13 Ca 0.24 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 54.00 1c01 n ASN 13 Cb 0.60 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.46 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 1.97 0.74 0.28 -3.83 1.70 -1.26 -4.90 118.95 113.64 1c01 s ARG 14 Ca 0.00 0.42 -0.05 0.00 -0.47 0.00 0.00 55.73 55.63 1c01 s ARG 14 Cb 0.00 -1.78 -0.01 0.00 -0.57 0.00 0.00 34.95 32.59 1c01 s ARG 14 CO 0.00 -2.50 0.38 0.00 -1.08 0.00 0.00 175.30 172.10 1c01 s ALA 15 N -3.10 0.59 -0.14 7.88 0.00 -1.26 -2.92 121.76 122.80 1c01 s ALA 15 Ca 0.65 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.09 1c01 s ALA 15 Cb -0.17 1.20 0.04 0.00 0.00 0.00 0.00 23.12 24.19 1c01 s ALA 15 CO 0.56 -0.76 0.40 -2.00 0.00 0.00 0.00 175.76 173.96 1c01 s GLU 16 N -3.66 0.48 0.15 0.00 2.56 -0.15 -4.98 118.70 113.09 1c01 s GLU 16 Ca 0.30 0.53 0.07 0.00 0.00 0.00 0.00 54.97 55.87 1c01 s GLU 16 Cb 0.01 0.23 -0.04 0.00 2.00 0.00 0.00 34.13 36.34 1c01 s GLU 16 CO 0.15 -0.06 -0.02 0.50 -0.56 0.00 0.00 175.26 175.27 1c01 s ARG 17 N 0.15 2.37 -0.41 4.30 3.52 -1.26 -0.93 118.95 126.69 1c01 s ARG 17 Ca -0.01 -1.05 0.06 0.00 -0.13 0.00 0.00 55.73 54.60 1c01 s ARG 17 Cb -0.03 -2.37 0.21 0.00 -1.56 0.00 0.00 34.95 31.20 1c01 s ARG 17 CO 0.01 0.48 0.43 0.66 -0.81 0.00 0.00 175.30 176.07 1c01 n TYR 18 N 0.14 -0.57 -0.01 5.12 4.01 -0.30 -4.91 117.16 120.64 1c01 n TYR 18 Ca -0.10 -3.45 0.06 0.00 -0.16 0.00 0.00 57.90 54.25 1c01 n TYR 18 Cb 0.54 -0.04 -0.12 0.00 -0.31 0.00 0.00 39.34 39.41 1c01 n TYR 18 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1c01 n SER 19 N 2.13 1.43 -4.75 7.72 3.41 -1.26 -1.89 113.62 120.41 1c01 n SER 19 Ca 0.26 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.45 1c01 n SER 19 Cb 0.50 1.63 -0.02 0.00 -0.26 0.00 0.00 64.21 66.06 1c01 n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1c01 s LYS 20 N -3.02 4.18 -0.25 4.33 1.02 -1.26 -4.84 119.74 119.91 1c01 s LYS 20 Ca -0.06 2.46 -0.28 0.00 0.02 0.00 0.00 55.97 58.11 1c01 s LYS 20 Cb 0.09 -3.06 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 1c01 s LYS 20 CO 0.64 -0.54 2.21 0.00 -0.92 0.00 0.00 175.35 176.74 1c01 n GLY 22 N 5.77 3.01 3.16 0.00 0.00 -0.47 -4.88 105.19 111.78 1c01 n GLY 22 Ca 0.30 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 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 3.95 7.50 -0.05 0.00 1.04 -0.73 -4.02 113.70 121.38 1c01 s SER 24 Ca 0.52 1.79 -0.30 0.00 0.48 0.00 0.00 55.95 58.44 1c01 s SER 24 Cb 0.09 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 1c01 s SER 24 CO 0.01 0.00 1.06 0.00 0.98 0.00 0.00 173.24 175.29 1c01 s ALA 25 N -0.31 3.37 0.32 5.32 0.00 -1.26 -0.48 121.76 128.72 1c01 s ALA 25 Ca 0.44 0.51 -0.09 0.00 0.00 0.00 0.00 51.96 52.83 1c01 s ALA 25 Cb -0.24 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 1c01 s ALA 25 CO 0.30 -0.54 0.64 0.42 0.00 0.00 0.00 175.76 176.58 1c01 s ILE 26 N 1.74 4.89 0.00 0.00 1.09 0.30 -4.94 121.20 124.28 1c01 s ILE 26 Ca 0.52 0.44 0.00 0.00 -1.10 0.00 0.00 60.65 60.51 1c01 s ILE 26 Cb -0.21 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.50 1c01 s ILE 26 CO 0.22 -0.31 0.00 1.41 -0.10 0.00 0.00 174.94 176.16 1c01 n HIS 27 N -0.80 0.00 -2.52 3.97 8.25 -1.26 -4.82 115.22 118.04 1c01 n HIS 27 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 1c01 n HIS 27 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 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 -1.21 3.38 -0.10 -0.41 1.11 -1.26 -4.87 119.66 116.30 1c01 s GLN 28 Ca 0.00 0.21 0.08 0.00 0.01 0.00 0.00 55.36 55.66 1c01 s GLN 28 Cb 0.00 -4.08 0.41 0.00 -1.01 0.00 0.00 33.01 28.33 1c01 s GLN 28 CO 0.00 -1.86 1.17 1.63 0.01 0.00 0.00 175.29 176.24 1c01 n LYS 29 N 8.70 2.83 0.00 2.91 4.76 -1.26 -4.58 118.16 131.52 1c01 n LYS 29 Ca 0.09 -1.59 0.00 0.00 -2.87 0.00 0.00 58.31 53.94 1c01 n LYS 29 Cb 0.49 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1c01 n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1c01 n GLY 30 N 0.46 0.73 3.42 0.72 0.00 -0.67 -4.26 105.19 105.60 1c01 n GLY 30 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.18 2.00 -0.28 -0.02 0.00 -0.81 -2.58 107.32 105.45 1c01 s GLY 31 Ca 0.00 -2.02 -0.18 0.00 0.00 0.00 0.00 44.72 42.52 1c01 s GLY 31 CO 0.00 -1.78 0.75 -2.52 0.00 0.00 0.00 173.10 169.55 1c01 s TYR 32 N -3.38 -0.93 0.35 1.90 -0.85 -0.58 -0.57 117.35 113.29 1c01 s TYR 32 Ca 0.37 1.92 0.08 0.00 -0.52 0.00 0.00 57.07 58.92 1c01 s TYR 32 Cb 0.08 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 1c01 s TYR 32 CO 0.15 -0.46 0.29 0.34 -1.52 0.00 0.00 175.55 174.35 1c01 s ASP 33 N 1.32 5.16 0.02 -0.18 2.15 0.61 -0.87 116.67 124.88 1c01 s ASP 33 Ca -0.08 -0.58 -0.09 0.00 0.43 0.00 0.00 52.55 52.24 1c01 s ASP 33 Cb -0.05 -0.86 0.00 0.00 -0.30 0.00 0.00 42.92 41.71 1c01 s ASP 33 CO -0.15 -0.41 0.17 0.12 -0.17 0.00 0.00 175.17 174.73 1c01 s PHE 34 N -2.35 0.04 0.07 -5.34 5.36 0.45 0.04 117.98 116.25 1c01 s PHE 34 Ca 0.42 -0.17 0.04 0.00 -0.96 0.00 0.00 56.93 56.26 1c01 s PHE 34 Cb -0.05 -0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.56 1c01 s PHE 34 CO 0.26 -0.35 -0.11 -1.12 -1.46 0.00 0.00 175.22 172.44 1c01 s SER 35 N -1.67 1.42 -0.02 6.13 0.01 -0.24 -1.03 113.70 118.30 1c01 s SER 35 Ca -0.11 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.51 1c01 s SER 35 Cb -0.05 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.18 1c01 s SER 35 CO -0.00 -0.16 -0.04 -0.47 0.41 0.00 0.00 173.24 172.98 1c01 s TYR 36 N -1.62 0.54 -0.44 2.43 6.14 -1.26 -0.88 117.35 122.26 1c01 s TYR 36 Ca -0.02 -0.11 0.07 0.00 0.64 0.00 0.00 57.07 57.65 1c01 s TYR 36 Cb -0.08 -0.46 0.24 0.00 0.42 0.00 0.00 41.96 42.08 1c01 s TYR 36 CO 0.01 -0.10 0.70 0.25 0.64 0.00 0.00 175.55 177.05 1c01 n THR 37 N 3.62 -0.36 -3.41 4.34 -2.24 -1.26 -4.23 114.28 110.74 1c01 n THR 37 Ca -0.21 -2.79 -0.21 0.00 -2.27 0.00 0.00 64.05 58.57 1c01 n THR 37 Cb 0.54 -0.29 0.07 0.00 -2.10 0.00 0.00 70.33 68.55 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 1.53 -0.35 3.36 3.38 0.00 -1.26 -4.80 105.19 107.05 1c01 n GLY 38 Ca 0.15 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 -6.10 0.53 0.67 1.61 2.00 -1.26 -4.96 119.66 112.15 1c01 s GLN 39 Ca 0.49 1.16 -0.09 0.00 -2.00 0.00 0.00 55.36 54.93 1c01 s GLN 39 Cb -0.22 0.58 0.02 0.00 0.80 0.00 0.00 33.01 34.20 1c01 s GLN 39 CO 0.61 -0.40 1.01 0.99 -0.50 0.00 0.00 175.29 177.00 1c01 s THR 40 N 2.82 3.26 0.14 -0.34 2.01 -1.26 -4.69 115.64 117.58 1c01 s THR 40 Ca 0.06 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1c01 s THR 40 Cb -0.13 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1c01 s THR 40 CO -0.19 -0.42 -0.04 0.00 -0.69 0.00 0.00 174.62 173.28 1c01 s ALA 41 N -3.22 1.24 -0.12 7.40 0.00 0.03 -2.37 121.76 124.72 1c01 s ALA 41 Ca 0.57 -1.49 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 1c01 s ALA 41 Cb -0.11 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.37 1c01 s ALA 41 CO 0.48 -0.25 0.31 0.00 0.00 0.00 0.00 175.76 176.30 1c01 s ALA 42 N -3.59 -0.76 0.37 0.00 0.00 -0.34 -1.95 121.76 115.50 1c01 s ALA 42 Ca 0.18 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 1c01 s ALA 42 Cb 0.05 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1c01 s ALA 42 CO 0.00 -0.17 0.62 -0.51 0.00 0.00 0.00 175.76 175.71 1c01 s LEU 43 N 0.48 3.91 -0.14 0.00 2.01 -0.47 -0.23 118.68 124.24 1c01 s LEU 43 Ca -0.03 0.66 -0.05 0.00 0.01 0.00 0.00 54.13 54.72 1c01 s LEU 43 Cb -0.04 -3.54 0.07 0.00 0.01 0.00 0.00 46.19 42.69 1c01 s LEU 43 CO -0.02 -0.36 0.29 -0.31 1.01 0.00 0.00 176.35 176.96 1c01 s TYR 44 N -2.39 -0.47 -1.20 0.29 2.02 0.02 -2.25 117.35 113.37 1c01 s TYR 44 Ca 0.43 1.04 0.09 0.00 -0.37 0.00 0.00 57.07 58.27 1c01 s TYR 44 Cb -0.10 0.03 0.43 0.00 -0.40 0.00 0.00 41.96 41.92 1c01 s TYR 44 CO 0.37 -0.36 1.24 0.09 -1.57 0.00 0.00 175.55 175.32 1c01 n ASN 45 N 5.21 0.00 -4.19 2.29 3.02 -1.26 -0.78 115.26 119.56 1c01 n ASN 45 Ca -0.09 0.34 -0.29 0.00 -0.03 0.00 0.00 54.58 54.51 1c01 n ASN 45 Cb 0.50 -0.40 -0.16 0.00 -0.61 0.00 0.00 39.78 39.11 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 -2.80 2.27 0.13 3.52 -0.21 -1.26 -4.01 119.66 117.29 1c01 s GLN 46 Ca 0.07 -0.75 -0.34 0.00 0.02 0.00 0.00 55.36 54.35 1c01 s GLN 46 Cb 0.06 -1.89 -0.17 0.00 1.00 0.00 0.00 33.01 32.01 1c01 s GLN 46 CO 0.16 0.27 1.10 0.00 -2.12 0.00 0.00 175.29 174.69 1c01 n ALA 47 N 3.18 -1.63 -3.75 6.09 0.00 -1.26 -2.43 120.51 120.70 1c01 n ALA 47 Ca -0.18 0.50 -0.25 0.00 0.00 0.00 0.00 53.44 53.50 1c01 n ALA 47 Cb 0.52 -1.93 0.04 0.00 0.00 0.00 0.00 19.45 18.08 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 1.98 -0.42 2.73 0.00 0.00 -1.26 -1.96 105.19 106.26 1c01 n GLY 48 Ca 0.17 0.17 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 3.02 -1.97 0.00 3.41 -0.83 -4.79 113.62 110.46 1c01 n SER 50 Ca -0.11 -2.21 -0.04 0.00 -0.26 0.00 0.00 58.87 56.24 1c01 n SER 50 Cb 0.60 -0.55 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 1c01 n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c01 n GLY 51 N 0.26 1.39 3.86 5.00 0.00 -1.26 -4.88 105.19 109.56 1c01 n GLY 51 Ca 0.08 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.50 4.67 0.82 1.61 -7.23 -1.26 -4.92 120.40 111.59 1c01 s VAL 52 Ca 0.09 0.92 -0.11 0.00 -1.81 0.00 0.00 61.98 61.07 1c01 s VAL 52 Cb -0.02 -3.78 0.08 0.00 0.56 0.00 0.00 36.38 33.22 1c01 s VAL 52 CO 0.06 -0.79 1.09 0.00 -0.31 0.00 0.00 175.10 175.15 1c01 s ALA 53 N -2.73 1.98 0.00 1.32 0.00 -1.26 -4.09 121.76 116.98 1c01 s ALA 53 Ca 0.55 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1c01 s ALA 53 Cb -0.10 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1c01 s ALA 53 CO 0.39 -1.99 0.00 1.58 0.00 0.00 0.00 175.76 175.73 1c01 n HIS 54 N -3.66 0.00 -4.15 0.00 -0.00 -0.95 -4.90 115.22 101.56 1c01 n HIS 54 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.70 1c01 n HIS 54 Cb 0.54 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.43 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 -1.83 0.05 -0.03 3.57 2.01 -1.26 -5.00 115.64 113.16 1c01 s THR 55 Ca 0.00 -1.89 -0.04 0.00 0.31 0.00 0.00 61.69 60.07 1c01 s THR 55 Cb 0.00 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.30 1c01 s THR 55 CO 0.00 -0.24 0.11 -0.60 -0.69 0.00 0.00 174.62 173.19 1c01 s ARG 56 N -4.09 0.24 -0.23 4.92 6.06 -1.26 -1.37 118.95 123.22 1c01 s ARG 56 Ca 0.30 -0.05 -0.04 0.00 -2.50 0.00 0.00 55.73 53.43 1c01 s ARG 56 Cb 0.07 0.10 0.08 0.00 0.06 0.00 0.00 34.95 35.26 1c01 s ARG 56 CO 0.06 -0.04 0.10 -0.06 -2.50 0.00 0.00 175.30 172.86 1c01 s PHE 57 N -0.44 0.36 -0.23 5.12 0.08 -0.82 -4.99 117.98 117.05 1c01 s PHE 57 Ca -0.05 -0.65 0.10 0.00 0.12 0.00 0.00 56.93 56.45 1c01 s PHE 57 Cb -0.03 -0.84 0.43 0.00 -0.57 0.00 0.00 43.02 42.01 1c01 s PHE 57 CO 0.00 -0.67 1.25 0.41 -0.10 0.00 0.00 175.22 176.11 1c01 n GLY 58 N 5.24 5.31 3.54 4.36 0.00 -1.26 -0.79 105.19 121.58 1c01 n GLY 58 Ca -0.06 -1.50 0.01 0.00 0.00 0.00 0.00 46.02 44.47 1c01 n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1c01 s SER 59 N -3.21 -0.23 -0.27 1.61 0.15 -1.26 -4.93 113.70 105.57 1c01 s SER 59 Ca 0.41 0.34 -0.24 0.00 0.70 0.00 0.00 55.95 57.16 1c01 s SER 59 Cb 0.38 1.14 -0.10 0.00 -1.71 0.00 0.00 66.02 65.73 1c01 s SER 59 CO -0.05 -0.05 1.10 -1.20 1.20 0.00 0.00 173.24 174.24 1c01 n SER 60 N 3.69 0.43 -3.97 5.45 7.64 -1.26 -4.78 113.62 120.81 1c01 n SER 60 Ca -0.15 0.39 -0.30 0.00 1.01 0.00 0.00 58.87 59.82 1c01 n SER 60 Cb 0.56 -0.48 -0.14 0.00 -1.01 0.00 0.00 64.21 63.14 1c01 n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c01 s ALA 61 N 3.00 3.13 -1.45 -0.43 0.00 -0.19 -4.89 121.76 120.93 1c01 s ALA 61 Ca 0.63 -2.99 -0.12 0.00 0.00 0.00 0.00 51.96 49.48 1c01 s ALA 61 Cb -0.80 -2.08 0.04 0.00 0.00 0.00 0.00 23.12 20.28 1c01 s ALA 61 CO 0.36 -1.90 2.29 2.89 0.00 0.00 0.00 175.76 179.41 1c01 n ARG 62 N 3.54 3.18 -2.36 0.00 1.85 -1.26 -0.41 116.66 121.20 1c01 n ARG 62 Ca 0.05 -2.72 -0.25 0.00 -1.00 0.00 0.00 57.85 53.93 1c01 n ARG 62 Cb 0.36 -3.13 0.05 0.00 -1.05 0.00 0.00 32.46 28.70 1c01 n ARG 62 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1c01 s ALA 63 N 2.39 3.39 -0.29 2.89 0.00 -0.04 -4.86 121.76 125.23 1c01 s ALA 63 Ca 0.50 -1.00 0.18 0.00 0.00 0.00 0.00 51.96 51.63 1c01 s ALA 63 Cb 0.14 -2.45 0.46 0.00 0.00 0.00 0.00 23.12 21.27 1c01 s ALA 63 CO -0.07 -1.07 1.31 0.00 0.00 0.00 0.00 175.76 175.93 1c01 s ASN 65 N -2.55 5.91 0.81 0.00 0.01 -1.26 -4.32 114.94 113.54 1c01 s ASN 65 Ca 0.19 -0.22 -0.11 0.00 -0.71 0.00 0.00 52.86 52.00 1c01 s ASN 65 Cb 0.38 -1.18 0.08 0.00 0.41 0.00 0.00 41.25 40.94 1c01 s ASN 65 CO -0.08 -0.45 1.10 -2.16 -1.51 0.00 0.00 177.10 174.00 1c01 s PRO 66 N -4.17 1.94 0.00 -0.60 0.04 -1.07 -3.66 135.00 127.48 1c01 s PRO 66 Ca 0.45 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1c01 s PRO 66 Cb -0.09 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1c01 s PRO 66 CO 0.31 -1.73 0.00 1.97 0.04 0.00 0.00 177.00 177.59 1c01 n PHE 67 N -3.51 -0.33 -2.68 0.56 -1.74 -1.26 -5.05 117.46 103.45 1c01 n PHE 67 Ca 0.07 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.92 1c01 n PHE 67 Cb 0.56 0.00 0.12 0.00 1.52 0.00 0.00 39.48 41.68 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 1.75 3.76 4.97 0.00 -1.26 -4.98 105.19 109.43 1c01 n GLY 68 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 0.15 3.60 -0.02 1.61 0.51 -1.26 -4.73 118.94 118.80 1c01 s TRP 69 Ca 0.13 0.97 -0.25 0.00 -2.12 0.00 0.00 56.10 54.83 1c01 s TRP 69 Cb 0.42 -2.49 -0.19 0.00 -0.81 0.00 0.00 33.47 30.39 1c01 s TRP 69 CO -0.11 0.32 1.24 -0.22 -0.51 0.00 0.00 176.95 177.67 1c01 h LYS 70 N 6.02 0.10 -4.82 4.98 3.11 -1.09 -3.40 116.57 121.46 1c01 h LYS 70 Ca -0.44 -0.06 -0.32 0.00 -2.81 0.00 0.00 60.65 57.01 1c01 h LYS 70 Cb 1.19 0.01 -0.15 0.00 -1.00 0.00 0.00 32.23 32.28 1c01 h LYS 70 CO 0.71 0.61 -0.62 -1.54 -2.81 0.00 0.00 179.45 175.80 1c01 s SER 71 N -5.87 0.98 -0.05 4.20 1.04 -0.68 -0.54 113.70 112.78 1c01 s SER 71 Ca -0.16 -1.38 -0.02 0.00 0.48 0.00 0.00 55.95 54.87 1c01 s SER 71 Cb 0.02 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.38 1c01 s SER 71 CO 0.70 -0.75 0.07 -0.51 0.98 0.00 0.00 173.24 173.73 1c01 s ILE 72 N -3.83 -0.12 -0.22 -1.02 2.07 0.37 -0.80 121.20 117.65 1c01 s ILE 72 Ca 0.38 0.38 -0.25 0.00 -1.41 0.00 0.00 60.65 59.74 1c01 s ILE 72 Cb 0.08 -0.19 -0.01 0.00 0.13 0.00 0.00 42.46 42.47 1c01 s ILE 72 CO 0.13 0.14 0.86 0.12 -1.91 0.00 0.00 174.94 174.28 1c01 s PHE 73 N 2.18 3.35 -0.14 3.50 5.36 0.68 -1.78 117.98 131.13 1c01 s PHE 73 Ca 0.05 1.21 -0.03 0.00 -0.96 0.00 0.00 56.93 57.20 1c01 s PHE 73 Cb -0.12 -3.07 -0.03 0.00 -0.34 0.00 0.00 43.02 39.46 1c01 s PHE 73 CO -0.04 -0.36 -0.03 0.42 -1.46 0.00 0.00 175.22 173.75 1c01 s ILE 74 N 2.68 3.96 0.88 3.12 -1.09 -0.91 -1.20 121.20 128.64 1c01 s ILE 74 Ca 0.37 -0.34 -0.09 0.00 -2.23 0.00 0.00 60.65 58.35 1c01 s ILE 74 Cb -0.16 -2.72 0.19 0.00 -1.58 0.00 0.00 42.46 38.20 1c01 s ILE 74 CO 0.09 0.52 1.20 0.00 -1.23 0.00 0.00 174.94 175.51 1c01 n GLN 75 N 3.20 -0.77 0.00 2.79 6.02 -1.00 -1.37 117.38 126.24 1c01 n GLN 75 Ca -0.18 -2.40 0.00 0.00 -0.01 0.00 0.00 57.00 54.42 1c01 n GLN 75 Cb 0.53 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.72 1c01 n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05