#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 -1.89 0.03 7.33 0.00 -0.80 -4.81 121.76 121.62 1c01 s ALA 2 Ca 0.00 1.86 -0.15 0.00 0.00 0.00 0.00 51.96 53.67 1c01 s ALA 2 Cb 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 23.12 21.88 1c01 s ALA 2 CO 0.00 -0.29 0.44 0.12 0.00 0.00 0.00 175.76 176.04 1c01 s PHE 3 N 0.04 3.72 0.09 0.00 5.36 -0.61 -0.83 117.98 125.75 1c01 s PHE 3 Ca 0.01 1.02 0.06 0.00 -0.96 0.00 0.00 56.93 57.06 1c01 s PHE 3 Cb -0.04 -2.31 -0.03 0.00 -0.34 0.00 0.00 43.02 40.29 1c01 s PHE 3 CO -0.02 0.61 -0.16 0.99 -1.46 0.00 0.00 175.22 175.18 1c01 s THR 4 N -1.15 1.35 0.18 0.12 2.01 -0.08 -0.66 115.64 117.41 1c01 s THR 4 Ca 0.26 -1.47 -0.09 0.00 0.31 0.00 0.00 61.69 60.71 1c01 s THR 4 Cb -0.17 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 1c01 s THR 4 CO 0.15 -0.21 0.30 0.68 -0.69 0.00 0.00 174.62 174.85 1c01 s VAL 5 N -1.43 0.04 -0.03 3.82 -7.23 -0.68 -0.42 120.40 114.48 1c01 s VAL 5 Ca 0.03 -1.48 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 1c01 s VAL 5 Cb -0.09 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.88 1c01 s VAL 5 CO 0.03 -0.20 0.07 0.26 -0.31 0.00 0.00 175.10 174.95 1c01 s TRP 6 N -4.00 -0.05 0.48 2.82 0.51 0.17 -1.53 118.94 117.34 1c01 s TRP 6 Ca 0.21 0.23 0.35 0.00 -2.12 0.00 0.00 56.10 54.77 1c01 s TRP 6 Cb 0.03 -0.11 1.49 0.00 -0.81 0.00 0.00 33.47 34.07 1c01 s TRP 6 CO 0.03 -0.09 1.66 0.66 -0.51 0.00 0.00 176.95 178.70 1c01 h SER 7 N 6.87 0.16 -4.25 2.95 4.64 -1.80 -1.86 113.55 120.26 1c01 h SER 7 Ca -0.38 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1c01 h SER 7 Cb 1.15 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1c01 h SER 7 CO 0.46 -0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 1c01 n GLY 8 N -1.66 4.27 0.06 -0.77 0.00 -1.26 -2.25 105.19 103.59 1c01 n GLY 8 Ca 0.35 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 0.00 1.61 0.13 -1.93 -3.42 132.00 128.39 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 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 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 1.70 1.49 2.61 1.56 0.00 -1.26 -2.09 105.19 109.19 1c01 n GLY 10 Ca -0.05 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 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 0.51 0.00 0.00 0.00 0.23 -1.26 -5.01 115.26 109.73 1c01 n ASN 12 Ca 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.56 1c01 n ASN 12 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1c01 n ASN 12 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1c01 n ASN 13 N 0.00 0.00 -4.77 0.53 0.23 -1.26 -4.47 115.26 105.52 1c01 n ASN 13 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.72 1c01 n ASN 13 Cb 0.00 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 1c01 n ASN 13 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1c01 s ARG 14 N 0.00 2.88 -0.21 -3.83 3.52 -1.26 -4.91 118.95 115.14 1c01 s ARG 14 Ca 0.00 1.41 -0.00 0.00 -0.13 0.00 0.00 55.73 57.01 1c01 s ARG 14 Cb 0.00 -1.96 0.05 0.00 -1.56 0.00 0.00 34.95 31.48 1c01 s ARG 14 CO 0.00 -1.19 -0.05 0.00 -0.81 0.00 0.00 175.30 173.26 1c01 s ALA 15 N -2.27 1.72 0.37 6.12 0.00 -1.26 -3.05 121.76 123.38 1c01 s ALA 15 Ca 0.68 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 51.59 1c01 s ALA 15 Cb -0.21 -1.31 -0.06 0.00 0.00 0.00 0.00 23.12 21.54 1c01 s ALA 15 CO 0.40 -1.06 0.01 -1.21 0.00 0.00 0.00 175.76 173.90 1c01 s GLU 16 N 1.51 2.01 0.07 0.00 0.41 -0.58 -5.02 118.70 117.11 1c01 s GLU 16 Ca -0.03 -1.89 -0.15 0.00 -0.41 0.00 0.00 54.97 52.49 1c01 s GLU 16 Cb -0.18 -1.82 0.03 0.00 -1.78 0.00 0.00 34.13 30.38 1c01 s GLU 16 CO -0.07 0.06 0.35 0.50 -0.49 0.00 0.00 175.26 175.61 1c01 s ARG 17 N -3.72 0.93 -0.33 1.61 3.52 -1.26 -1.68 118.95 118.01 1c01 s ARG 17 Ca 0.35 -0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1c01 s ARG 17 Cb 0.03 0.40 0.13 0.00 -1.56 0.00 0.00 34.95 33.96 1c01 s ARG 17 CO 0.19 -0.33 0.23 0.71 -0.81 0.00 0.00 175.30 175.30 1c01 s TYR 18 N -3.07 0.28 -0.86 5.12 2.02 0.16 -4.99 117.35 116.02 1c01 s TYR 18 Ca -0.01 -1.12 0.21 0.00 -0.37 0.00 0.00 57.07 55.78 1c01 s TYR 18 Cb 0.01 -0.75 -0.24 0.00 -0.40 0.00 0.00 41.96 40.57 1c01 s TYR 18 CO -0.07 -0.87 0.84 -1.13 -1.57 0.00 0.00 175.55 172.76 1c01 n SER 19 N 4.52 0.86 -4.67 2.29 3.41 -1.26 -1.57 113.62 117.19 1c01 n SER 19 Ca 0.06 -0.86 -0.46 0.00 -0.26 0.00 0.00 58.87 57.35 1c01 n SER 19 Cb 0.41 1.14 -0.04 0.00 -0.26 0.00 0.00 64.21 65.45 1c01 n SER 19 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1c01 n LYS 20 N -1.60 2.22 -1.18 4.33 5.02 -1.26 -4.76 118.16 120.93 1c01 n LYS 20 Ca 0.03 0.80 -0.29 0.00 -2.02 0.00 0.00 58.31 56.83 1c01 n LYS 20 Cb 0.36 -2.59 0.16 0.00 -0.02 0.00 0.00 35.03 32.94 1c01 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c01 n GLY 22 N -1.08 1.79 3.59 0.00 0.00 0.52 -4.86 105.19 105.16 1c01 n GLY 22 Ca 0.06 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.90 -0.68 0.71 0.00 1.04 -0.60 -4.96 113.70 107.31 1c01 s SER 24 Ca 0.08 0.95 -0.11 0.00 0.48 0.00 0.00 55.95 57.34 1c01 s SER 24 Cb -0.01 0.83 0.02 0.00 0.10 0.00 0.00 66.02 66.96 1c01 s SER 24 CO -0.05 -0.49 1.09 0.00 0.98 0.00 0.00 173.24 174.77 1c01 s ALA 25 N -0.68 2.79 0.06 5.32 0.00 -1.26 -1.20 121.76 126.78 1c01 s ALA 25 Ca -0.07 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1c01 s ALA 25 Cb -0.02 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 1c01 s ALA 25 CO 0.07 -1.19 -0.09 0.42 0.00 0.00 0.00 175.76 174.96 1c01 s ILE 26 N -3.28 0.72 0.00 0.00 1.01 0.87 -4.86 121.20 115.66 1c01 s ILE 26 Ca 0.58 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1c01 s ILE 26 Cb -0.12 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1c01 s ILE 26 CO 0.53 -0.42 0.00 1.41 0.00 0.00 0.00 174.94 176.45 1c01 n HIS 27 N 1.16 0.00 -2.66 3.97 8.25 -1.26 -4.81 115.22 119.87 1c01 n HIS 27 Ca -0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.84 1c01 n HIS 27 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 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 -1.58 3.28 -0.01 -0.41 1.11 -1.26 -4.85 119.66 115.94 1c01 s GLN 28 Ca 0.00 -0.67 0.03 0.00 0.01 0.00 0.00 55.36 54.73 1c01 s GLN 28 Cb 0.00 -4.47 0.10 0.00 -1.01 0.00 0.00 33.01 27.63 1c01 s GLN 28 CO 0.00 -2.05 0.96 0.36 0.01 0.00 0.00 175.29 174.57 1c01 n LYS 29 N 8.65 1.35 0.00 2.91 0.00 -1.26 -4.68 118.16 125.14 1c01 n LYS 29 Ca 0.09 -0.42 0.00 0.00 -0.00 0.00 0.00 58.31 57.98 1c01 n LYS 29 Cb 0.48 -1.24 0.00 0.00 -0.00 0.00 0.00 35.03 34.27 1c01 n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1c01 n GLY 30 N 0.50 1.49 3.97 2.58 0.00 -0.95 -2.33 105.19 110.45 1c01 n GLY 30 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 1.27 -0.28 -0.02 0.00 -0.71 -3.61 107.32 103.98 1c01 s GLY 31 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 44.72 43.36 1c01 s GLY 31 CO 0.00 -1.20 0.74 -2.52 0.00 0.00 0.00 173.10 170.12 1c01 s TYR 32 N -1.98 -0.96 0.50 1.90 -0.85 -0.25 -0.65 117.35 115.06 1c01 s TYR 32 Ca 0.34 1.97 0.08 0.00 -0.52 0.00 0.00 57.07 58.94 1c01 s TYR 32 Cb -0.09 0.55 0.03 0.00 0.38 0.00 0.00 41.96 42.83 1c01 s TYR 32 CO 0.29 -0.47 0.54 0.34 -1.52 0.00 0.00 175.55 174.73 1c01 s ASP 33 N 1.40 5.05 0.08 -0.18 2.15 0.44 -1.41 116.67 124.20 1c01 s ASP 33 Ca -0.08 -0.86 -0.11 0.00 0.43 0.00 0.00 52.55 51.93 1c01 s ASP 33 Cb -0.05 -0.06 0.01 0.00 -0.30 0.00 0.00 42.92 42.52 1c01 s ASP 33 CO -0.16 -1.00 0.25 0.12 -0.17 0.00 0.00 175.17 174.21 1c01 s PHE 34 N -2.59 0.01 -0.00 -5.34 5.36 -0.02 -0.90 117.98 114.49 1c01 s PHE 34 Ca 0.50 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 1c01 s PHE 34 Cb -0.05 0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.67 1c01 s PHE 34 CO 0.30 -0.54 -0.01 -1.12 -1.46 0.00 0.00 175.22 172.39 1c01 s SER 35 N -2.53 0.12 -0.03 6.13 0.01 -0.01 -1.61 113.70 115.78 1c01 s SER 35 Ca 0.01 -0.01 0.07 0.00 1.31 0.00 0.00 55.95 57.32 1c01 s SER 35 Cb 0.02 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.21 1c01 s SER 35 CO -0.08 0.00 -0.23 -0.47 0.41 0.00 0.00 173.24 172.87 1c01 s TYR 36 N 0.08 2.10 -0.44 2.43 5.04 -1.26 -1.91 117.35 123.38 1c01 s TYR 36 Ca -0.01 -0.45 0.07 0.00 -2.44 0.00 0.00 57.07 54.24 1c01 s TYR 36 Cb -0.02 -1.36 0.27 0.00 0.35 0.00 0.00 41.96 41.21 1c01 s TYR 36 CO -0.00 -0.08 0.82 0.25 -1.34 0.00 0.00 175.55 175.20 1c01 n THR 37 N 2.63 -0.20 -3.01 4.34 -2.24 -1.26 -4.70 114.28 109.84 1c01 n THR 37 Ca -0.16 -2.53 -0.18 0.00 -2.27 0.00 0.00 64.05 58.90 1c01 n THR 37 Cb 0.52 0.39 0.04 0.00 -2.10 0.00 0.00 70.33 69.18 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 1.15 -0.28 2.96 3.38 0.00 -1.26 -4.69 105.19 106.45 1c01 n GLY 38 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.64 0.46 0.68 1.61 2.00 -1.26 -4.97 119.66 112.54 1c01 s GLN 39 Ca 0.31 0.17 -0.13 0.00 -2.00 0.00 0.00 55.36 53.70 1c01 s GLN 39 Cb -0.14 -0.21 0.01 0.00 0.80 0.00 0.00 33.01 33.48 1c01 s GLN 39 CO 0.38 -1.05 1.08 0.95 -0.50 0.00 0.00 175.29 176.15 1c01 s THR 40 N 2.55 3.57 0.32 -0.34 -4.23 -1.26 -4.75 115.64 111.50 1c01 s THR 40 Ca 0.10 0.62 0.07 0.00 -1.18 0.00 0.00 61.69 61.30 1c01 s THR 40 Cb -0.12 -3.18 -0.06 0.00 1.34 0.00 0.00 72.50 70.48 1c01 s THR 40 CO -0.28 -0.56 -0.04 0.00 -0.54 0.00 0.00 174.62 173.20 1c01 s ALA 41 N -2.68 2.59 0.02 3.99 0.00 -0.68 -1.76 121.76 123.23 1c01 s ALA 41 Ca 0.62 -2.03 -0.07 0.00 0.00 0.00 0.00 51.96 50.49 1c01 s ALA 41 Cb -0.17 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 1c01 s ALA 41 CO 0.48 -0.09 0.14 0.00 0.00 0.00 0.00 175.76 176.29 1c01 s ALA 42 N -2.93 -0.26 -0.44 0.00 0.00 0.12 -1.98 121.76 116.27 1c01 s ALA 42 Ca 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1c01 s ALA 42 Cb 0.05 0.18 0.12 0.00 0.00 0.00 0.00 23.12 23.47 1c01 s ALA 42 CO 0.14 -0.27 0.24 -0.51 0.00 0.00 0.00 175.76 175.36 1c01 s LEU 43 N -1.72 5.24 -0.29 0.00 1.43 -0.01 -0.69 118.68 122.63 1c01 s LEU 43 Ca -0.10 -2.15 -0.29 0.00 -1.03 0.00 0.00 54.13 50.55 1c01 s LEU 43 Cb -0.05 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 1c01 s LEU 43 CO -0.01 -0.52 1.32 -0.31 0.23 0.00 0.00 176.35 177.06 1c01 s TYR 44 N 0.96 2.65 0.06 0.29 1.51 -0.24 -2.27 117.35 120.31 1c01 s TYR 44 Ca 0.10 0.85 -0.16 0.00 -1.01 0.00 0.00 57.07 56.85 1c01 s TYR 44 Cb -0.22 -3.90 -0.06 0.00 -0.11 0.00 0.00 41.96 37.67 1c01 s TYR 44 CO -0.04 -1.79 1.26 -0.91 -1.11 0.00 0.00 175.55 172.96 1c01 h ASN 45 N 9.35 -0.83 -4.21 2.29 4.21 -1.75 -2.45 115.58 122.18 1c01 h ASN 45 Ca -0.27 0.10 -0.52 0.00 1.21 0.00 0.00 56.30 56.82 1c01 h ASN 45 Cb 1.10 0.33 0.13 0.00 -1.12 0.00 0.00 38.32 38.76 1c01 h ASN 45 CO 1.03 -0.23 0.36 -1.10 -1.29 0.00 0.00 177.43 176.19 1c01 s GLN 46 N -4.29 2.35 0.98 0.81 1.11 -1.26 -0.66 119.66 118.69 1c01 s GLN 46 Ca -0.07 1.49 -0.16 0.00 0.01 0.00 0.00 55.36 56.63 1c01 s GLN 46 Cb 0.03 -1.88 0.22 0.00 -1.01 0.00 0.00 33.01 30.37 1c01 s GLN 46 CO 0.29 -1.62 1.34 0.00 0.01 0.00 0.00 175.29 175.31 1c01 s ALA 47 N -2.33 2.23 -1.52 6.09 0.00 -1.26 -3.79 121.76 121.18 1c01 s ALA 47 Ca 0.68 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1c01 s ALA 47 Cb -0.23 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1c01 s ALA 47 CO 0.46 -2.53 0.00 0.41 0.00 0.00 0.00 175.76 174.10 1c01 n GLY 48 N -3.81 -0.16 2.49 0.00 0.00 -1.26 -2.03 105.19 100.43 1c01 n GLY 48 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.07 4.06 -4.50 0.00 3.41 -0.86 -5.01 113.62 108.65 1c01 n SER 50 Ca -0.22 -3.80 -0.25 0.00 -0.26 0.00 0.00 58.87 54.34 1c01 n SER 50 Cb 0.67 -0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1c01 n SER 50 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1c01 s GLY 51 N -3.06 1.78 0.33 5.00 0.00 -1.25 -4.52 107.32 105.60 1c01 s GLY 51 Ca 0.49 -1.72 -0.16 0.00 0.00 0.00 0.00 44.72 43.33 1c01 s GLY 51 CO 0.00 -1.77 0.76 -1.34 0.00 0.00 0.00 173.10 170.75 1c01 s VAL 52 N -2.13 4.64 -0.86 1.40 -7.23 -1.26 -4.47 120.40 110.49 1c01 s VAL 52 Ca 0.27 1.02 -0.25 0.00 -1.81 0.00 0.00 61.98 61.21 1c01 s VAL 52 Cb -0.07 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.24 1c01 s VAL 52 CO 0.14 -0.19 1.76 0.00 -0.31 0.00 0.00 175.10 176.51 1c01 s ALA 53 N -1.99 2.09 -0.24 1.32 0.00 -1.26 -2.90 121.76 118.78 1c01 s ALA 53 Ca 0.55 -1.49 0.18 0.00 0.00 0.00 0.00 51.96 51.20 1c01 s ALA 53 Cb -0.10 -4.47 0.19 0.00 0.00 0.00 0.00 23.12 18.73 1c01 s ALA 53 CO 0.17 -4.23 1.51 1.25 0.00 0.00 0.00 175.76 174.46 1c01 h HIS 54 N 11.59 0.00 -3.08 0.00 6.17 -1.83 -3.45 115.15 124.54 1c01 h HIS 54 Ca 0.01 0.00 -0.17 0.00 0.71 0.00 0.00 60.37 60.92 1c01 h HIS 54 Cb 1.04 0.00 -0.27 0.00 2.52 0.00 0.00 27.41 30.70 1c01 h HIS 54 CO 1.19 0.33 -0.44 0.99 0.71 0.00 0.00 177.93 180.71 1c01 s THR 55 N -3.06 -0.01 0.07 6.26 2.01 -1.26 -5.00 115.64 114.64 1c01 s THR 55 Ca 0.05 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.17 1c01 s THR 55 Cb 0.07 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 1c01 s THR 55 CO 0.72 0.02 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.40 1c01 s ARG 56 N 0.55 2.10 -0.32 4.92 1.81 -1.26 -0.83 118.95 125.91 1c01 s ARG 56 Ca -0.03 -1.00 -0.01 0.00 -1.72 0.00 0.00 55.73 52.97 1c01 s ARG 56 Cb -0.05 -2.25 0.11 0.00 -0.45 0.00 0.00 34.95 32.31 1c01 s ARG 56 CO -0.03 0.53 0.12 -0.06 -0.68 0.00 0.00 175.30 175.17 1c01 s PHE 57 N -1.06 1.65 -1.65 -0.53 0.08 -0.84 -4.96 117.98 110.67 1c01 s PHE 57 Ca 0.18 -1.77 0.17 0.00 0.12 0.00 0.00 56.93 55.63 1c01 s PHE 57 Cb -0.11 -1.67 0.58 0.00 -0.57 0.00 0.00 43.02 41.24 1c01 s PHE 57 CO 0.09 -0.86 1.47 0.41 -0.10 0.00 0.00 175.22 176.23 1c01 n GLY 58 N 4.70 2.08 3.62 4.36 0.00 -1.26 -1.69 105.19 116.99 1c01 n GLY 58 Ca -0.01 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.92 -0.57 -0.10 1.61 0.15 -1.26 -4.91 113.70 107.70 1c01 s SER 59 Ca 0.42 1.00 -0.41 0.00 0.70 0.00 0.00 55.95 57.66 1c01 s SER 59 Cb 0.24 0.99 -0.20 0.00 -1.71 0.00 0.00 66.02 65.34 1c01 s SER 59 CO 0.25 -0.25 1.20 -1.54 1.20 0.00 0.00 173.24 174.09 1c01 n SER 60 N 2.08 0.34 -3.80 5.45 3.41 -1.26 -4.73 113.62 115.12 1c01 n SER 60 Ca -0.13 1.16 -0.27 0.00 -0.26 0.00 0.00 58.87 59.37 1c01 n SER 60 Cb 0.56 -0.93 -0.17 0.00 -0.26 0.00 0.00 64.21 63.41 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 0.66 1.15 -1.42 7.33 0.00 -0.64 -4.91 121.76 123.94 1c01 s ALA 61 Ca 0.94 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 1c01 s ALA 61 Cb -1.30 -1.10 0.06 0.00 0.00 0.00 0.00 23.12 20.78 1c01 s ALA 61 CO 0.62 -0.93 2.12 0.54 0.00 0.00 0.00 175.76 178.10 1c01 n ARG 62 N 4.99 2.99 -3.13 0.00 5.12 -1.26 -0.84 116.66 124.53 1c01 n ARG 62 Ca -0.10 -2.81 -0.27 0.00 -1.93 0.00 0.00 57.85 52.75 1c01 n ARG 62 Cb 0.48 -3.27 -0.02 0.00 -1.16 0.00 0.00 32.46 28.49 1c01 n ARG 62 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1c01 s ALA 63 N 2.96 3.57 0.00 7.54 0.00 -0.50 -4.91 121.76 130.42 1c01 s ALA 63 Ca 0.47 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1c01 s ALA 63 Cb 0.12 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1c01 s ALA 63 CO -0.06 -0.03 0.32 0.00 0.00 0.00 0.00 175.76 175.99 1c01 s ASN 65 N -0.00 3.87 0.47 0.00 -0.87 -1.26 -4.01 114.94 113.13 1c01 s ASN 65 Ca 0.00 1.12 -0.23 0.00 -1.57 0.00 0.00 52.86 52.17 1c01 s ASN 65 Cb 0.00 -1.76 -0.08 0.00 -0.02 0.00 0.00 41.25 39.38 1c01 s ASN 65 CO 0.00 -2.34 1.19 -2.65 -2.57 0.00 0.00 177.10 170.73 1c01 n PRO 66 N -3.65 1.62 -1.48 -0.60 -0.02 -1.25 -4.19 135.00 125.44 1c01 n PRO 66 Ca 0.07 0.59 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 1c01 n PRO 66 Cb 0.58 -2.32 0.12 0.00 -0.02 0.00 0.00 33.50 31.86 1c01 n PRO 66 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1c01 s PHE 67 N -1.28 2.58 0.00 6.00 5.36 -0.98 -5.01 117.98 124.65 1c01 s PHE 67 Ca 0.65 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 1c01 s PHE 67 Cb -0.49 -3.25 0.00 0.00 -0.34 0.00 0.00 43.02 38.94 1c01 s PHE 67 CO 0.55 -2.19 0.63 0.41 -1.46 0.00 0.00 175.22 173.16 1c01 n GLY 68 N -1.95 0.18 0.00 13.12 0.00 -1.26 -5.05 105.19 110.23 1c01 n GLY 68 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1c01 n GLY 68 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c01 n TRP 69 N 0.00 0.00 0.00 1.61 8.01 -1.26 -4.81 117.44 120.99 1c01 n TRP 69 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1c01 n TRP 69 Cb 0.58 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.88 1c01 n TRP 69 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1c01 n LYS 70 N 0.00 0.66 -4.31 -0.99 4.01 0.17 -4.96 118.16 112.73 1c01 n LYS 70 Ca 0.00 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.64 1c01 n LYS 70 Cb 0.00 -0.75 -0.10 0.00 -0.51 0.00 0.00 35.03 33.67 1c01 n LYS 70 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1c01 s SER 71 N -3.01 1.27 -0.10 4.39 1.04 -0.96 -0.09 113.70 116.25 1c01 s SER 71 Ca 0.00 -1.34 -0.00 0.00 0.48 0.00 0.00 55.95 55.09 1c01 s SER 71 Cb 0.00 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.28 1c01 s SER 71 CO 0.00 -0.69 -0.06 -0.51 0.98 0.00 0.00 173.24 172.96 1c01 s ILE 72 N -3.71 0.89 -0.29 -1.02 2.07 -0.34 -1.07 121.20 117.73 1c01 s ILE 72 Ca 0.35 -0.22 -0.13 0.00 -1.41 0.00 0.00 60.65 59.24 1c01 s ILE 72 Cb 0.07 -0.93 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 1c01 s ILE 72 CO 0.12 0.34 0.28 0.12 -1.91 0.00 0.00 174.94 173.89 1c01 s PHE 73 N 1.61 3.23 0.13 3.50 2.19 0.13 -1.55 117.98 127.22 1c01 s PHE 73 Ca 0.02 0.19 0.10 0.00 0.33 0.00 0.00 56.93 57.57 1c01 s PHE 73 Cb -0.13 -2.50 -0.04 0.00 -1.31 0.00 0.00 43.02 39.04 1c01 s PHE 73 CO -0.06 -0.24 -0.22 0.42 1.83 0.00 0.00 175.22 176.95 1c01 s ILE 74 N 1.91 2.59 1.11 3.12 1.01 0.33 0.11 121.20 131.38 1c01 s ILE 74 Ca 0.11 -1.64 -0.19 0.00 0.00 0.00 0.00 60.65 58.93 1c01 s ILE 74 Cb -0.16 -2.18 0.27 0.00 0.01 0.00 0.00 42.46 40.40 1c01 s ILE 74 CO 0.11 0.08 1.19 0.00 0.00 0.00 0.00 174.94 176.32 1c01 n GLN 75 N 0.80 -2.33 0.00 2.79 6.02 -0.72 -0.35 117.38 123.58 1c01 n GLN 75 Ca -0.16 -1.88 0.00 0.00 -0.01 0.00 0.00 57.00 54.95 1c01 n GLN 75 Cb 0.53 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1c01 n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05