#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x63 s SER 2 N 0.00 6.62 -0.14 1.61 1.04 -1.26 -4.99 113.70 116.58 1x63 s SER 2 Ca 0.00 -2.74 -0.27 0.00 0.48 0.00 0.00 55.95 53.42 1x63 s SER 2 Cb 0.00 -2.17 0.07 0.00 0.10 0.00 0.00 66.02 64.01 1x63 s SER 2 CO 0.00 -0.54 0.67 -0.44 0.98 0.00 0.00 173.24 173.91 1x63 s SER 3 N 1.97 -0.67 -0.46 7.02 0.01 -1.26 -5.13 113.70 115.19 1x63 s SER 3 Ca 0.18 1.00 0.03 0.00 1.31 0.00 0.00 55.95 58.47 1x63 s SER 3 Cb -0.11 0.92 0.13 0.00 0.21 0.00 0.00 66.02 67.17 1x63 s SER 3 CO -0.08 -0.44 0.22 -0.83 0.41 0.00 0.00 173.24 172.51 1x63 s GLY 4 N -0.51 2.03 -0.52 3.44 0.00 -1.26 -5.03 107.32 105.48 1x63 s GLY 4 Ca -0.06 -2.85 0.04 0.00 0.00 0.00 0.00 44.72 41.84 1x63 s GLY 4 CO 0.06 1.22 0.31 -0.56 0.00 0.00 0.00 173.10 174.12 1x63 s SER 5 N 0.20 4.01 0.21 1.64 0.01 -1.26 -4.98 113.70 113.52 1x63 s SER 5 Ca 0.16 -3.05 -0.06 0.00 1.31 0.00 0.00 55.95 54.30 1x63 s SER 5 Cb -0.24 -1.35 0.34 0.00 0.21 0.00 0.00 66.02 64.98 1x63 s SER 5 CO -0.02 -0.21 1.17 -1.20 0.41 0.00 0.00 173.24 173.38 1x63 n SER 6 N 3.01 -0.27 -3.59 2.44 7.64 -1.26 -4.79 113.62 116.80 1x63 n SER 6 Ca 0.11 1.29 -0.20 0.00 1.01 0.00 0.00 58.87 61.07 1x63 n SER 6 Cb 0.34 -0.39 0.05 0.00 -1.01 0.00 0.00 64.21 63.21 1x63 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x63 n GLY 7 N -1.47 -0.44 3.54 0.23 0.00 -1.26 -4.99 105.19 100.79 1x63 n GLY 7 Ca 0.12 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 1x63 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x63 s LYS 8 N -5.67 1.25 0.28 1.61 0.00 -1.26 -5.19 119.74 110.76 1x63 s LYS 8 Ca 0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 55.97 55.51 1x63 s LYS 8 Cb -0.02 0.53 -0.02 0.00 0.00 0.00 0.00 37.83 38.32 1x63 s LYS 8 CO 0.79 -0.55 0.33 0.00 0.00 0.00 0.00 175.35 175.92 1x63 s THR 10 N -3.61 4.79 -0.13 0.00 -1.32 -1.26 -4.94 115.64 109.17 1x63 s THR 10 Ca 0.34 -0.30 0.19 0.00 -1.21 0.00 0.00 61.69 60.70 1x63 s THR 10 Cb 0.02 -3.41 -0.24 0.00 -1.51 0.00 0.00 72.50 67.36 1x63 s THR 10 CO 0.18 0.09 0.41 0.35 -2.21 0.00 0.00 174.62 173.44 1x63 n THR 11 N 5.01 0.98 -3.86 5.08 -2.24 -1.26 -4.88 114.28 113.11 1x63 n THR 11 Ca -0.14 -0.72 -0.25 0.00 -2.27 0.00 0.00 64.05 60.68 1x63 n THR 11 Cb 0.50 -0.44 -0.17 0.00 -2.10 0.00 0.00 70.33 68.11 1x63 n THR 11 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x63 s ARG 12 N -2.88 1.11 -0.10 -0.78 1.81 -1.26 -5.02 118.95 111.83 1x63 s ARG 12 Ca -0.07 -0.09 -0.20 0.00 -1.72 0.00 0.00 55.73 53.65 1x63 s ARG 12 Cb 0.09 -1.30 -0.28 0.00 -0.45 0.00 0.00 34.95 33.01 1x63 s ARG 12 CO 0.85 -0.28 0.66 0.93 -0.68 0.00 0.00 175.30 176.78 1x63 h GLU 13 N 8.21 0.22 -1.99 3.54 5.08 -2.03 -3.34 114.58 124.26 1x63 h GLU 13 Ca -0.26 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 57.64 1x63 h GLU 13 Cb 1.13 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1x63 h GLU 13 CO 0.34 1.18 -0.16 -0.25 -1.00 0.00 0.00 179.01 179.13 1x63 n ASP 14 N -4.10 5.34 -3.74 1.42 8.00 -1.26 -4.76 116.55 117.45 1x63 n ASP 14 Ca -0.20 -2.46 -0.12 0.00 0.71 0.00 0.00 54.79 52.71 1x63 n ASP 14 Cb 0.81 -1.26 -0.12 0.00 -0.02 0.00 0.00 41.12 40.54 1x63 n ASP 14 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1x63 s SER 15 N 1.94 -0.35 -0.59 -2.24 1.04 -1.26 -5.11 113.70 107.15 1x63 s SER 15 Ca 0.31 0.65 -0.27 0.00 0.48 0.00 0.00 55.95 57.12 1x63 s SER 15 Cb 0.15 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 1x63 s SER 15 CO -0.00 -0.14 1.85 -2.16 0.98 0.00 0.00 173.24 173.76 1x63 s PRO 16 N 0.77 2.70 0.33 4.02 0.04 -1.23 -4.80 135.00 136.83 1x63 s PRO 16 Ca -0.05 0.68 -0.28 0.00 0.04 0.00 0.00 61.00 61.39 1x63 s PRO 16 Cb -0.06 -4.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.02 1x63 s PRO 16 CO -0.05 -2.65 1.15 0.15 0.04 0.00 0.00 177.00 175.64 1x63 s LYS 17 N 6.90 4.38 0.73 4.56 -0.14 -1.26 0.52 119.74 135.42 1x63 s LYS 17 Ca 0.68 1.85 -0.10 0.00 -1.36 0.00 0.00 55.97 57.04 1x63 s LYS 17 Cb -0.13 -2.96 0.04 0.00 -1.68 0.00 0.00 37.83 33.10 1x63 s LYS 17 CO 0.22 -0.04 1.09 0.00 -0.76 0.00 0.00 175.35 175.86 1x63 n LYS 19 N -3.05 0.30 0.37 0.00 0.00 -1.25 -3.64 118.16 110.89 1x63 n LYS 19 Ca 0.07 0.07 -0.16 0.00 0.00 0.00 0.00 58.31 58.29 1x63 n LYS 19 Cb 0.59 -1.23 -0.08 0.00 0.00 0.00 0.00 35.03 34.31 1x63 n LYS 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1x63 h GLY 20 N 0.89 -1.00 0.59 3.14 0.00 -1.92 -3.32 103.07 101.45 1x63 h GLY 20 Ca -0.27 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1x63 h GLY 20 CO -0.04 -0.36 -1.36 0.00 0.00 0.00 0.00 176.54 174.77 1x63 n PHE 22 N -2.43 -0.97 -4.87 0.00 3.72 -1.24 -5.03 117.46 106.64 1x63 n PHE 22 Ca -0.01 0.25 -0.33 0.00 -0.05 0.00 0.00 57.45 57.31 1x63 n PHE 22 Cb 0.54 -2.78 -0.14 0.00 -0.94 0.00 0.00 39.48 36.16 1x63 n PHE 22 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1x63 s LYS 23 N -5.08 2.87 -0.05 -1.08 1.02 -1.26 -4.73 119.74 111.42 1x63 s LYS 23 Ca 0.14 -0.70 -0.38 0.00 0.02 0.00 0.00 55.97 55.06 1x63 s LYS 23 Cb -0.06 -2.47 -0.16 0.00 -0.52 0.00 0.00 37.83 34.62 1x63 s LYS 23 CO 0.18 0.44 1.54 0.00 -0.92 0.00 0.00 175.35 176.59 1x63 n ALA 24 N 2.84 -0.40 -2.93 5.17 0.00 -1.26 -1.88 120.51 122.05 1x63 n ALA 24 Ca -0.18 0.45 -0.23 0.00 0.00 0.00 0.00 53.44 53.48 1x63 n ALA 24 Cb 0.52 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 1x63 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x63 s ILE 25 N 1.87 5.26 0.50 0.00 1.01 0.18 -4.86 121.20 125.17 1x63 s ILE 25 Ca 0.90 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.73 1x63 s ILE 25 Cb -0.96 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 37.67 1x63 s ILE 25 CO 0.53 -0.28 0.01 0.68 0.00 0.00 0.00 174.94 175.89 1x63 s VAL 26 N -1.94 1.13 -0.04 2.92 -7.23 -1.26 -3.55 120.40 110.42 1x63 s VAL 26 Ca 0.35 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1x63 s VAL 26 Cb -0.10 -2.21 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 1x63 s VAL 26 CO 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 175.10 175.08 1x63 h ALA 27 N 1.41 0.00 -0.95 1.32 0.00 -2.00 -3.35 119.26 115.70 1x63 h ALA 27 Ca -0.43 -0.02 0.37 0.00 0.00 0.00 0.00 54.91 54.83 1x63 h ALA 27 Cb 1.31 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 1x63 h ALA 27 CO 0.73 0.01 0.55 0.41 0.00 0.00 0.00 179.25 180.95 1x63 n GLY 28 N 1.89 -0.65 3.77 0.00 0.00 -1.26 -4.31 105.19 104.63 1x63 n GLY 28 Ca -0.00 0.67 -0.39 0.00 0.00 0.00 0.00 46.02 46.30 1x63 n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x63 s ASP 29 N -4.50 6.85 -0.28 1.61 2.15 -1.26 -4.98 116.67 116.26 1x63 s ASP 29 Ca -0.07 2.28 -0.29 0.00 0.43 0.00 0.00 52.55 54.90 1x63 s ASP 29 Cb 0.28 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 40.29 1x63 s ASP 29 CO 0.67 -0.44 1.18 -1.10 -0.17 0.00 0.00 175.17 175.31 1x63 s GLN 30 N -2.00 4.05 0.36 4.34 -0.21 -1.26 -4.85 119.66 120.10 1x63 s GLN 30 Ca 0.52 1.24 0.07 0.00 0.02 0.00 0.00 55.36 57.21 1x63 s GLN 30 Cb -0.30 -3.78 -0.03 0.00 1.00 0.00 0.00 33.01 29.90 1x63 s GLN 30 CO 0.38 -0.93 0.25 -0.80 -2.12 0.00 0.00 175.29 172.07 1x63 s ASN 31 N 2.06 2.11 -0.30 5.90 0.01 -1.26 0.13 114.94 123.59 1x63 s ASN 31 Ca 0.50 -1.78 0.01 0.00 -0.71 0.00 0.00 52.86 50.88 1x63 s ASN 31 Cb -0.15 0.59 0.09 0.00 0.41 0.00 0.00 41.25 42.19 1x63 s ASN 31 CO 0.17 -1.06 0.06 -0.69 -1.51 0.00 0.00 177.10 174.08 1x63 s VAL 32 N -3.33 1.33 -0.24 1.60 1.01 0.48 -4.56 120.40 116.69 1x63 s VAL 32 Ca 0.36 -1.60 -0.14 0.00 0.00 0.00 0.00 61.98 60.60 1x63 s VAL 32 Cb 0.02 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1x63 s VAL 32 CO 0.25 -0.56 0.32 -0.70 0.00 0.00 0.00 175.10 174.41 1x63 s GLU 33 N 1.40 4.09 -0.11 2.72 2.12 -1.26 -0.88 118.70 126.77 1x63 s GLU 33 Ca 0.08 0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.40 1x63 s GLU 33 Cb -0.18 -3.58 0.04 0.00 0.26 0.00 0.00 34.13 30.67 1x63 s GLU 33 CO -0.17 -0.10 0.01 -0.47 -0.54 0.00 0.00 175.26 173.99 1x63 s TYR 34 N 1.52 0.81 -1.49 5.30 5.04 0.06 -4.82 117.35 123.76 1x63 s TYR 34 Ca 0.14 -0.42 -0.12 0.00 -2.44 0.00 0.00 57.07 54.23 1x63 s TYR 34 Cb -0.15 -0.89 0.07 0.00 0.35 0.00 0.00 41.96 41.34 1x63 s TYR 34 CO 0.08 -0.43 0.88 1.63 -1.34 0.00 0.00 175.55 176.36 1x63 n LYS 35 N 5.11 -5.22 0.00 4.97 5.02 -1.26 -3.19 118.16 123.59 1x63 n LYS 35 Ca -0.08 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1x63 n LYS 35 Cb 0.49 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 1x63 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x63 n GLY 36 N -1.60 2.13 3.18 0.72 0.00 -1.26 -5.05 105.19 103.30 1x63 n GLY 36 Ca 0.02 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 1x63 n GLY 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x63 n THR 37 N 0.00 0.10 -3.70 2.61 -1.04 -1.19 -4.90 114.28 106.15 1x63 n THR 37 Ca 0.00 -0.39 -0.12 0.00 -2.04 0.00 0.00 64.05 61.50 1x63 n THR 37 Cb 0.00 -0.25 -0.12 0.00 -1.82 0.00 0.00 70.33 68.14 1x63 n THR 37 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1x63 s VAL 38 N -2.13 -0.12 -0.18 12.58 0.11 -1.26 -0.76 120.40 128.65 1x63 s VAL 38 Ca 0.48 0.15 -0.02 0.00 -2.93 0.00 0.00 61.98 59.66 1x63 s VAL 38 Cb -0.22 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1x63 s VAL 38 CO 0.76 0.06 -0.09 0.26 -3.33 0.00 0.00 175.10 172.76 1x63 s TRP 39 N 1.54 2.89 0.26 1.54 0.51 -0.06 -3.74 118.94 121.89 1x63 s TRP 39 Ca -0.08 -0.81 -0.28 0.00 -2.12 0.00 0.00 56.10 52.82 1x63 s TRP 39 Cb -0.10 -1.97 -0.15 0.00 -0.81 0.00 0.00 33.47 30.44 1x63 s TRP 39 CO -0.10 -0.38 0.82 0.72 -0.51 0.00 0.00 176.95 177.49 1x63 n HIS 40 N 4.16 0.59 -0.21 -1.98 8.25 -1.26 -0.39 115.22 124.37 1x63 n HIS 40 Ca -0.18 0.80 0.28 0.00 -0.26 0.00 0.00 57.72 58.35 1x63 n HIS 40 Cb 0.52 -2.14 0.44 0.00 1.12 0.00 0.00 29.99 29.93 1x63 n HIS 40 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1x63 h LYS 41 N 1.59 0.00 0.01 -0.41 3.64 -0.59 1.80 116.57 122.61 1x63 h LYS 41 Ca -0.35 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.66 1x63 h LYS 41 Cb 1.38 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.13 1x63 h LYS 41 CO 0.59 0.00 -2.31 -0.40 -2.27 0.00 0.00 179.45 175.06 1x63 n ASP 42 N -3.26 0.60 -0.06 4.20 5.68 -1.26 -3.37 116.55 119.08 1x63 n ASP 42 Ca 0.23 0.03 -0.13 0.00 -0.50 0.00 0.00 54.79 54.42 1x63 n ASP 42 Cb 1.52 0.50 -0.07 0.00 -1.14 0.00 0.00 41.12 41.93 1x63 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1x63 n PHE 44 N -4.57 2.06 -4.36 0.00 7.35 0.74 -4.87 117.46 113.83 1x63 n PHE 44 Ca -0.06 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.45 1x63 n PHE 44 Cb 0.34 -2.66 -0.10 0.00 0.35 0.00 0.00 39.48 37.41 1x63 n PHE 44 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1x63 s THR 45 N 6.12 0.87 0.67 -2.13 -4.23 -1.26 -0.90 115.64 114.78 1x63 s THR 45 Ca 0.99 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 59.40 1x63 s THR 45 Cb -0.61 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 70.67 1x63 s THR 45 CO 0.46 -0.11 1.02 0.00 -0.54 0.00 0.00 174.62 175.45 1x63 n SER 47 N -2.87 0.64 -0.04 0.00 3.41 -0.71 -3.41 113.62 110.63 1x63 n SER 47 Ca 0.06 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.65 1x63 n SER 47 Cb 0.58 1.42 -0.01 0.00 -0.26 0.00 0.00 64.21 65.94 1x63 n SER 47 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1x63 h ASN 48 N 0.00 0.00 1.11 4.04 -1.24 -1.95 -3.41 115.58 114.13 1x63 h ASN 48 Ca -0.23 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.65 1x63 h ASN 48 Cb 1.46 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.49 1x63 h ASN 48 CO 0.01 0.43 -0.94 0.00 -1.29 0.00 0.00 177.43 175.65 1x63 n LYS 50 N -3.05 -4.89 -4.06 0.00 4.76 -1.22 -4.97 118.16 104.73 1x63 n LYS 50 Ca -0.03 0.54 -0.35 0.00 -2.87 0.00 0.00 58.31 55.60 1x63 n LYS 50 Cb 0.78 -4.70 -0.14 0.00 -1.84 0.00 0.00 35.03 29.13 1x63 n LYS 50 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1x63 s GLN 51 N -5.52 3.36 -0.40 1.97 -0.21 -1.26 -4.63 119.66 112.97 1x63 s GLN 51 Ca 0.25 -0.64 -0.37 0.00 0.02 0.00 0.00 55.36 54.61 1x63 s GLN 51 Cb -0.11 -2.92 -0.16 0.00 1.00 0.00 0.00 33.01 30.82 1x63 s GLN 51 CO 0.47 -0.12 1.41 0.28 -2.12 0.00 0.00 175.29 175.21 1x63 n VAL 52 N 4.55 0.00 -0.08 1.09 0.31 -1.26 -3.12 118.33 119.83 1x63 n VAL 52 Ca -0.18 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.93 1x63 n VAL 52 Cb 0.51 -0.40 -0.12 0.00 -0.91 0.00 0.00 33.84 32.91 1x63 n VAL 52 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1x63 n ILE 53 N 3.78 1.61 -3.05 2.52 5.41 -0.08 -4.92 119.36 124.63 1x63 n ILE 53 Ca 0.30 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.59 1x63 n ILE 53 Cb -0.04 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 1x63 n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x63 n GLY 54 N 1.83 0.89 0.36 7.39 0.00 -1.15 -2.02 105.19 112.49 1x63 n GLY 54 Ca -0.39 -0.70 0.31 0.00 0.00 0.00 0.00 46.02 45.24 1x63 n GLY 54 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1x63 h THR 55 N 0.00 0.11 -1.68 2.61 1.35 -1.80 -3.42 112.91 110.07 1x63 h THR 55 Ca 0.00 -0.04 -0.50 0.00 -0.55 0.00 0.00 66.41 65.32 1x63 h THR 55 Cb 0.00 -0.01 0.15 0.00 -1.73 0.00 0.00 68.15 66.56 1x63 h THR 55 CO 0.00 0.02 -0.98 0.61 -0.25 0.00 0.00 175.52 174.92 1x63 n GLY 56 N -1.34 -2.73 3.76 5.82 0.00 -0.85 -4.83 105.19 105.02 1x63 n GLY 56 Ca 0.36 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1x63 n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x63 s SER 57 N -0.84 5.85 0.17 1.61 0.01 -1.26 -5.00 113.70 114.24 1x63 s SER 57 Ca 0.47 2.48 0.04 0.00 1.31 0.00 0.00 55.95 60.25 1x63 s SER 57 Cb -0.41 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.19 1x63 s SER 57 CO 0.56 -1.15 0.15 2.22 0.41 0.00 0.00 173.24 175.43 1x63 n PHE 58 N -0.67 -0.43 -3.59 2.43 1.16 -1.26 -3.01 117.46 112.08 1x63 n PHE 58 Ca 0.08 -1.45 -0.21 0.00 -1.87 0.00 0.00 57.45 54.00 1x63 n PHE 58 Cb 0.47 0.16 -0.15 0.00 -1.61 0.00 0.00 39.48 38.34 1x63 n PHE 58 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1x63 s PHE 59 N -2.74 -0.06 -0.30 2.97 0.40 0.28 -4.74 117.98 113.79 1x63 s PHE 59 Ca 0.21 0.13 -0.29 0.00 -0.60 0.00 0.00 56.93 56.38 1x63 s PHE 59 Cb 0.01 -0.46 -0.02 0.00 0.51 0.00 0.00 43.02 43.06 1x63 s PHE 59 CO 0.15 -0.46 1.67 -1.25 0.70 0.00 0.00 175.22 176.03 1x63 s PRO 60 N 2.24 3.55 -0.23 0.24 0.04 -1.26 -1.18 135.00 138.40 1x63 s PRO 60 Ca 0.04 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.53 1x63 s PRO 60 Cb -0.15 -4.11 0.05 0.00 0.04 0.00 0.00 34.50 30.34 1x63 s PRO 60 CO -0.09 -1.59 -0.09 0.15 0.04 0.00 0.00 177.00 175.42 1x63 s LYS 61 N 5.16 1.99 1.85 4.56 3.01 -1.09 -4.96 119.74 130.25 1x63 s LYS 61 Ca 0.74 -1.03 0.00 0.00 -1.01 0.00 0.00 55.97 54.67 1x63 s LYS 61 Cb -0.22 -2.61 0.00 0.00 -1.01 0.00 0.00 37.83 33.99 1x63 s LYS 61 CO 0.32 -0.52 0.00 0.41 0.51 0.00 0.00 175.35 176.07 1x63 n GLY 62 N 4.61 1.57 1.74 -3.33 0.00 -1.26 -1.22 105.19 107.29 1x63 n GLY 62 Ca -0.14 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 1x63 n GLY 62 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x63 n GLU 63 N 10.06 1.45 -3.44 1.61 4.07 -1.26 -4.80 120.64 128.34 1x63 n GLU 63 Ca 0.00 -0.53 -0.09 0.00 -0.06 0.00 0.00 57.16 56.48 1x63 n GLU 63 Cb 0.00 -1.43 0.01 0.00 -0.06 0.00 0.00 31.44 29.96 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1x63 n ASP 64 N 1.75 -1.77 -3.61 4.31 8.00 -0.36 -5.15 116.55 119.71 1x63 n ASP 64 Ca 0.19 -2.43 -0.24 0.00 0.71 0.00 0.00 54.79 53.02 1x63 n ASP 64 Cb 0.65 3.01 -0.17 0.00 -0.02 0.00 0.00 41.12 44.60 1x63 n ASP 64 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1x63 s PHE 65 N -3.18 0.10 -0.17 1.24 0.08 -1.26 -2.65 117.98 112.14 1x63 s PHE 65 Ca 0.16 -0.13 -0.11 0.00 0.12 0.00 0.00 56.93 56.98 1x63 s PHE 65 Cb -0.03 -0.60 -0.05 0.00 -0.57 0.00 0.00 43.02 41.76 1x63 s PHE 65 CO 0.12 -0.46 0.19 0.71 -0.10 0.00 0.00 175.22 175.68 1x63 s TYR 66 N 2.17 3.45 0.73 0.36 1.51 -0.33 -1.74 117.35 123.51 1x63 s TYR 66 Ca 0.03 0.45 -0.11 0.00 -1.01 0.00 0.00 57.07 56.44 1x63 s TYR 66 Cb -0.15 -2.20 0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1x63 s TYR 66 CO -0.08 0.33 1.07 0.00 -1.11 0.00 0.00 175.55 175.76 1x63 n VAL 68 N -3.26 0.00 -0.06 0.00 0.31 -1.16 -1.11 118.33 113.03 1x63 n VAL 68 Ca 0.08 1.38 -0.02 0.00 -0.01 0.00 0.00 64.34 65.77 1x63 n VAL 68 Cb 0.53 -1.86 -0.02 0.00 -0.91 0.00 0.00 33.84 31.58 1x63 n VAL 68 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1x63 n THR 69 N -2.65 -0.10 -0.34 2.52 -1.04 -1.26 0.79 114.28 112.20 1x63 n THR 69 Ca 0.00 1.46 0.13 0.00 -2.04 0.00 0.00 64.05 63.60 1x63 n THR 69 Cb 0.00 -1.91 0.26 0.00 -1.82 0.00 0.00 70.33 66.87 1x63 n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x63 h HIS 71 N 0.00 0.13 -0.40 0.00 2.76 0.14 0.41 115.15 118.20 1x63 h HIS 71 Ca 0.57 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.65 1x63 h HIS 71 Cb 1.15 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.06 1x63 h HIS 71 CO -0.54 0.62 0.07 0.93 -1.30 0.00 0.00 177.93 177.71 1x63 h GLU 72 N 0.08 0.66 0.19 5.26 5.08 0.91 -0.50 114.58 126.25 1x63 h GLU 72 Ca -0.00 -0.17 -0.34 0.00 -1.00 0.00 0.00 59.36 57.85 1x63 h GLU 72 Cb 0.98 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.16 1x63 h GLU 72 CO 0.08 0.70 -1.66 0.00 -1.00 0.00 0.00 179.01 177.13 1x63 h THR 73 N 0.51 1.00 0.85 1.13 1.03 -0.92 -2.64 112.91 113.87 1x63 h THR 73 Ca 0.12 -2.52 -0.04 0.00 -0.01 0.00 0.00 66.41 63.96 1x63 h THR 73 Cb 0.36 2.80 0.01 0.00 -1.07 0.00 0.00 68.15 70.25 1x63 h THR 73 CO 0.01 0.83 -0.41 0.50 -0.01 0.00 0.00 175.52 176.44 1x63 h LYS 74 N 0.05 -1.11 0.00 0.00 3.64 -0.21 -3.41 116.57 115.53 1x63 h LYS 74 Ca -0.33 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1x63 h LYS 74 Cb 2.06 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 34.13 1x63 h LYS 74 CO 0.17 -0.74 -0.02 1.19 -2.27 0.00 0.00 179.45 177.79 1x63 n PHE 75 N -5.11 0.02 -0.37 1.91 3.01 -0.30 -3.84 117.46 112.78 1x63 n PHE 75 Ca -0.14 0.01 -0.26 0.00 1.01 0.00 0.00 57.45 58.06 1x63 n PHE 75 Cb 0.45 -0.18 0.24 0.00 -0.01 0.00 0.00 39.48 39.98 1x63 n PHE 75 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x63 n ALA 76 N -2.38 -3.47 -3.73 4.37 0.00 -0.60 -3.89 120.51 110.81 1x63 n ALA 76 Ca -0.00 -1.56 -0.26 0.00 0.00 0.00 0.00 53.44 51.62 1x63 n ALA 76 Cb 0.01 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.12 1x63 n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x63 n SER 77 N -4.08 -5.71 0.00 0.00 2.88 -1.08 -4.15 113.62 101.48 1x63 n SER 77 Ca 0.09 -0.64 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 1x63 n SER 77 Cb 0.51 -4.57 0.00 0.00 -0.75 0.00 0.00 64.21 59.40 1x63 n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x63 n GLY 78 N -1.88 2.09 3.56 0.46 0.00 -1.25 -4.92 105.19 103.25 1x63 n GLY 78 Ca 0.02 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 1x63 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x63 s PRO 79 N -5.08 2.58 0.41 1.61 0.04 -1.25 -4.68 135.00 128.63 1x63 s PRO 79 Ca 0.00 0.05 0.08 0.00 0.04 0.00 0.00 61.00 61.16 1x63 s PRO 79 Cb 0.00 -4.81 -0.02 0.00 0.04 0.00 0.00 34.50 29.71 1x63 s PRO 79 CO 0.00 -3.14 0.40 -1.12 0.04 0.00 0.00 177.00 173.17 1x63 s SER 80 N 8.08 5.13 -0.34 6.66 0.01 -1.25 -5.04 113.70 126.95 1x63 s SER 80 Ca 0.69 -0.70 -0.28 0.00 1.31 0.00 0.00 55.95 56.97 1x63 s SER 80 Cb -0.09 -0.60 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 1x63 s SER 80 CO 0.07 -0.65 1.98 -0.55 0.41 0.00 0.00 173.24 174.50 1x63 s SER 81 N -4.15 5.58 0.00 2.44 0.15 -1.26 -4.84 113.70 111.62 1x63 s SER 81 Ca 0.49 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.50 1x63 s SER 81 Cb -0.04 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1x63 s SER 81 CO 0.28 -1.95 0.00 0.61 1.20 0.00 0.00 173.24 173.39