#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 4.29 -0.28 1.61 0.01 -1.26 -5.07 113.70 113.00 1x63 s SER 2 Ca 0.00 -2.28 -0.16 0.00 1.31 0.00 0.00 55.95 54.82 1x63 s SER 2 Cb 0.00 -1.33 0.08 0.00 0.21 0.00 0.00 66.02 64.98 1x63 s SER 2 CO 0.00 -0.34 0.70 -0.44 0.41 0.00 0.00 173.24 173.57 1x63 s SER 3 N 0.75 -0.94 0.00 2.44 0.01 -1.26 -5.16 113.70 109.54 1x63 s SER 3 Ca 0.13 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1x63 s SER 3 Cb -0.21 1.43 0.00 0.00 0.21 0.00 0.00 66.02 67.45 1x63 s SER 3 CO -0.09 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1x63 n GLY 4 N 4.36 3.82 3.88 3.44 0.00 -1.26 -5.11 105.19 114.32 1x63 n GLY 4 Ca -0.20 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 1x63 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x63 s SER 5 N 0.00 6.52 -0.05 1.61 0.15 -1.26 -5.03 113.70 115.64 1x63 s SER 5 Ca 0.00 1.04 -0.12 0.00 0.70 0.00 0.00 55.95 57.58 1x63 s SER 5 Cb 0.00 -2.28 -0.06 0.00 -1.71 0.00 0.00 66.02 61.96 1x63 s SER 5 CO 0.00 -0.34 0.49 0.28 1.20 0.00 0.00 173.24 174.87 1x63 h SER 6 N 1.43 -0.36 0.00 5.45 0.02 -2.08 -3.49 113.55 114.52 1x63 h SER 6 Ca -0.47 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1x63 h SER 6 Cb 1.19 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1x63 h SER 6 CO 0.64 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 177.03 1x63 n GLY 7 N 0.70 2.87 2.31 -3.77 0.00 -1.26 -5.05 105.19 100.99 1x63 n GLY 7 Ca -0.05 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1x63 n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x63 n LYS 8 N 0.00 3.00 -0.09 1.61 4.81 -1.26 -4.81 118.16 121.41 1x63 n LYS 8 Ca 0.00 -4.00 -0.16 0.00 -0.87 0.00 0.00 58.31 53.28 1x63 n LYS 8 Cb 0.00 -2.06 -0.09 0.00 0.02 0.00 0.00 35.03 32.90 1x63 n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x63 s THR 10 N -2.27 3.98 -0.56 0.00 -1.32 -1.26 -4.98 115.64 109.24 1x63 s THR 10 Ca -0.23 -3.71 0.04 0.00 -1.21 0.00 0.00 61.69 56.58 1x63 s THR 10 Cb 0.03 -3.52 0.15 0.00 -1.51 0.00 0.00 72.50 67.66 1x63 s THR 10 CO 0.50 -1.02 0.36 0.42 -2.21 0.00 0.00 174.62 172.66 1x63 s THR 11 N -1.06 2.08 0.20 5.08 -4.23 -1.26 -4.97 115.64 111.48 1x63 s THR 11 Ca 0.24 -3.41 -0.12 0.00 -1.18 0.00 0.00 61.69 57.23 1x63 s THR 11 Cb -0.10 -2.40 0.16 0.00 1.34 0.00 0.00 72.50 71.49 1x63 s THR 11 CO -0.11 -0.97 1.68 0.08 -0.54 0.00 0.00 174.62 174.77 1x63 h ARG 12 N 5.99 0.16 -4.74 3.99 0.11 -2.00 -3.27 114.38 114.61 1x63 h ARG 12 Ca 0.08 -0.01 -0.71 0.00 0.10 0.00 0.00 59.98 59.44 1x63 h ARG 12 Cb 0.85 -0.03 -0.20 0.00 1.11 0.00 0.00 29.97 31.70 1x63 h ARG 12 CO 0.60 0.10 0.63 -1.21 0.10 0.00 0.00 179.97 180.20 1x63 s GLU 13 N -6.14 3.58 -0.28 0.08 2.02 -1.26 -4.98 118.70 111.71 1x63 s GLU 13 Ca -0.13 -1.90 0.00 0.00 0.02 0.00 0.00 54.97 52.96 1x63 s GLU 13 Cb 0.17 -4.77 0.05 0.00 0.10 0.00 0.00 34.13 29.69 1x63 s GLU 13 CO 0.73 -1.65 -0.06 0.16 0.02 0.00 0.00 175.26 174.46 1x63 s ASP 14 N 3.28 4.64 0.08 -0.19 1.47 -1.24 -5.10 116.67 119.61 1x63 s ASP 14 Ca 0.28 -1.30 0.08 0.00 1.18 0.00 0.00 52.55 52.80 1x63 s ASP 14 Cb -0.07 -1.63 -0.04 0.00 -0.34 0.00 0.00 42.92 40.84 1x63 s ASP 14 CO -0.09 -0.22 -0.17 -0.44 0.68 0.00 0.00 175.17 174.93 1x63 s SER 15 N 1.19 3.89 -0.57 2.11 0.01 -1.26 -5.07 113.70 114.00 1x63 s SER 15 Ca -0.06 -0.48 -0.27 0.00 1.31 0.00 0.00 55.95 56.45 1x63 s SER 15 Cb -0.20 -0.61 -0.02 0.00 0.21 0.00 0.00 66.02 65.41 1x63 s SER 15 CO -0.03 0.22 1.84 -2.16 0.41 0.00 0.00 173.24 173.51 1x63 s PRO 16 N -1.79 2.75 0.35 12.44 0.04 -1.22 -4.81 135.00 142.76 1x63 s PRO 16 Ca 0.17 0.73 -0.27 0.00 0.04 0.00 0.00 61.00 61.67 1x63 s PRO 16 Cb -0.11 -4.35 -0.09 0.00 0.04 0.00 0.00 34.50 29.99 1x63 s PRO 16 CO 0.08 -2.58 1.10 0.15 0.04 0.00 0.00 177.00 175.79 1x63 s LYS 17 N 6.78 4.34 0.67 4.56 -0.14 -1.26 0.28 119.74 134.97 1x63 s LYS 17 Ca 0.69 1.71 -0.09 0.00 -1.36 0.00 0.00 55.97 56.91 1x63 s LYS 17 Cb -0.14 -2.84 0.01 0.00 -1.68 0.00 0.00 37.83 33.18 1x63 s LYS 17 CO 0.23 -0.03 1.03 0.00 -0.76 0.00 0.00 175.35 175.81 1x63 n LYS 19 N -2.86 1.41 0.20 0.00 3.00 -1.24 -3.54 118.16 115.13 1x63 n LYS 19 Ca 0.06 0.03 -0.13 0.00 -0.00 0.00 0.00 58.31 58.27 1x63 n LYS 19 Cb 0.57 -1.24 -0.08 0.00 0.00 0.00 0.00 35.03 34.29 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 1.38 -0.54 0.09 3.14 0.00 -1.92 -3.34 103.07 101.89 1x63 h GLY 20 Ca -0.26 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1x63 h GLY 20 CO -0.01 -0.20 -1.67 0.00 0.00 0.00 0.00 176.54 174.66 1x63 n PHE 22 N -2.10 -0.74 -4.74 0.00 3.72 -1.23 -5.03 117.46 107.34 1x63 n PHE 22 Ca -0.02 0.14 -0.33 0.00 -0.05 0.00 0.00 57.45 57.20 1x63 n PHE 22 Cb 0.51 -2.55 -0.13 0.00 -0.94 0.00 0.00 39.48 36.38 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 -4.83 2.92 0.11 -1.08 1.02 -1.26 -4.73 119.74 111.89 1x63 s LYS 23 Ca 0.08 -0.64 -0.36 0.00 0.02 0.00 0.00 55.97 55.08 1x63 s LYS 23 Cb -0.04 -2.56 -0.16 0.00 -0.52 0.00 0.00 37.83 34.56 1x63 s LYS 23 CO 0.10 0.49 1.41 0.00 -0.92 0.00 0.00 175.35 176.43 1x63 n ALA 24 N 2.74 -0.29 -2.78 5.17 0.00 -1.26 -1.78 120.51 122.31 1x63 n ALA 24 Ca -0.18 0.50 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1x63 n ALA 24 Cb 0.53 -2.16 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 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 0.63 4.61 0.57 0.00 1.01 0.14 -4.85 121.20 123.31 1x63 s ILE 25 Ca 0.83 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.91 1x63 s ILE 25 Cb -0.87 -3.18 0.05 0.00 0.01 0.00 0.00 42.46 38.47 1x63 s ILE 25 CO 0.44 0.21 0.46 0.68 0.00 0.00 0.00 174.94 176.74 1x63 s VAL 26 N -1.31 1.56 -0.11 2.92 -7.23 -1.26 -3.42 120.40 111.55 1x63 s VAL 26 Ca 0.27 -1.44 -0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1x63 s VAL 26 Cb -0.12 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 1x63 s VAL 26 CO 0.19 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 174.92 1x63 h ALA 27 N 0.62 0.00 -1.17 1.32 0.00 -2.00 -3.36 119.26 114.68 1x63 h ALA 27 Ca -0.35 -0.18 0.41 0.00 0.00 0.00 0.00 54.91 54.79 1x63 h ALA 27 Cb 1.31 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 19.12 1x63 h ALA 27 CO 0.55 0.17 0.70 0.78 0.00 0.00 0.00 179.25 181.46 1x63 h GLY 28 N -0.92 1.76 -2.88 0.00 0.00 -2.05 -3.40 103.07 95.59 1x63 h GLY 28 Ca 0.00 -0.15 -0.50 0.00 0.00 0.00 0.00 47.33 46.68 1x63 h GLY 28 CO 0.00 -0.55 0.48 -0.35 0.00 0.00 0.00 176.54 176.11 1x63 s ASP 29 N -4.56 6.43 -0.25 0.19 2.15 -1.26 -4.97 116.67 114.40 1x63 s ASP 29 Ca -0.08 2.26 -0.29 0.00 0.43 0.00 0.00 52.55 54.87 1x63 s ASP 29 Cb 0.31 -2.60 -0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1x63 s ASP 29 CO 0.80 -0.74 1.26 -1.10 -0.17 0.00 0.00 175.17 175.22 1x63 s GLN 30 N -2.51 4.06 0.30 4.34 -0.21 -1.26 -4.86 119.66 119.52 1x63 s GLN 30 Ca 0.60 1.38 0.01 0.00 0.02 0.00 0.00 55.36 57.38 1x63 s GLN 30 Cb -0.28 -3.81 -0.02 0.00 1.00 0.00 0.00 33.01 29.90 1x63 s GLN 30 CO 0.34 -0.93 0.32 -0.80 -2.12 0.00 0.00 175.29 172.10 1x63 s ASN 31 N 2.33 1.01 -0.26 5.90 0.01 -1.26 -0.36 114.94 122.31 1x63 s ASN 31 Ca 0.54 -1.55 -0.00 0.00 -0.71 0.00 0.00 52.86 51.14 1x63 s ASN 31 Cb -0.18 0.55 0.08 0.00 0.41 0.00 0.00 41.25 42.11 1x63 s ASN 31 CO 0.18 -1.09 0.02 -0.69 -1.51 0.00 0.00 177.10 174.02 1x63 s VAL 32 N -3.52 1.19 -0.11 1.60 1.01 -0.15 -4.56 120.40 115.86 1x63 s VAL 32 Ca 0.36 -1.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1x63 s VAL 32 Cb 0.02 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1x63 s VAL 32 CO 0.21 -0.36 0.07 -0.70 0.00 0.00 0.00 175.10 174.32 1x63 s GLU 33 N 1.51 3.32 -0.48 2.72 -6.30 -1.26 -0.77 118.70 117.44 1x63 s GLU 33 Ca 0.02 -0.27 0.04 0.00 -2.50 0.00 0.00 54.97 52.25 1x63 s GLU 33 Cb -0.18 -3.03 0.16 0.00 0.00 0.00 0.00 34.13 31.08 1x63 s GLU 33 CO -0.13 0.68 0.35 -0.47 0.02 0.00 0.00 175.26 175.71 1x63 s TYR 34 N -0.79 1.77 -1.01 5.30 5.04 0.90 -4.89 117.35 123.67 1x63 s TYR 34 Ca 0.13 -2.51 -0.01 0.00 -2.44 0.00 0.00 57.07 52.23 1x63 s TYR 34 Cb -0.12 -1.48 -0.01 0.00 0.35 0.00 0.00 41.96 40.70 1x63 s TYR 34 CO 0.03 -0.75 0.85 1.63 -1.34 0.00 0.00 175.55 175.97 1x63 n LYS 35 N 2.85 -4.90 0.00 4.97 5.02 -1.26 -3.98 118.16 120.86 1x63 n LYS 35 Ca 0.23 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 1x63 n LYS 35 Cb 0.42 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 30.04 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 -1.15 2.24 3.69 0.72 0.00 -1.26 -5.06 105.19 104.37 1x63 n GLY 36 Ca -0.21 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1x63 n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x63 n THR 37 N 0.00 2.14 -3.84 2.61 -2.24 -1.26 -4.89 114.28 106.80 1x63 n THR 37 Ca 0.00 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 1x63 n THR 37 Cb 0.00 -1.54 -0.15 0.00 -2.10 0.00 0.00 70.33 66.55 1x63 n THR 37 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x63 s VAL 38 N -1.12 -0.02 -0.13 2.28 0.11 -1.26 -0.07 120.40 120.19 1x63 s VAL 38 Ca 0.57 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.70 1x63 s VAL 38 Cb -0.56 -0.05 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1x63 s VAL 38 CO 0.61 0.03 -0.15 0.26 -3.33 0.00 0.00 175.10 172.52 1x63 s TRP 39 N 0.34 2.10 0.28 1.54 0.51 0.05 -3.59 118.94 120.18 1x63 s TRP 39 Ca -0.03 -1.08 -0.27 0.00 -2.12 0.00 0.00 56.10 52.60 1x63 s TRP 39 Cb -0.04 -1.53 -0.15 0.00 -0.81 0.00 0.00 33.47 30.94 1x63 s TRP 39 CO -0.01 -0.57 0.68 0.72 -0.51 0.00 0.00 176.95 177.26 1x63 n HIS 40 N 4.45 0.08 -0.01 -1.98 8.25 -1.26 -0.98 115.22 123.76 1x63 n HIS 40 Ca -0.18 0.79 0.19 0.00 -0.26 0.00 0.00 57.72 58.26 1x63 n HIS 40 Cb 0.51 -2.06 0.38 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 1.29 0.00 0.00 -0.41 3.64 -1.00 1.43 116.57 121.52 1x63 h LYS 41 Ca -0.35 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 58.66 1x63 h LYS 41 Cb 1.40 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.15 1x63 h LYS 41 CO 0.57 0.00 -2.39 -0.40 -2.27 0.00 0.00 179.45 174.96 1x63 n ASP 42 N -3.08 0.49 -0.07 4.20 5.75 -1.26 -3.56 116.55 119.03 1x63 n ASP 42 Ca 0.14 -0.03 -0.13 0.00 -0.01 0.00 0.00 54.79 54.76 1x63 n ASP 42 Cb 1.24 0.69 -0.06 0.00 -1.03 0.00 0.00 41.12 41.97 1x63 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x63 n PHE 44 N -4.46 1.90 -4.38 0.00 7.35 0.80 -4.87 117.46 113.80 1x63 n PHE 44 Ca -0.05 0.01 -0.19 0.00 -0.76 0.00 0.00 57.45 56.45 1x63 n PHE 44 Cb 0.40 -2.66 -0.10 0.00 0.35 0.00 0.00 39.48 37.46 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 7.42 1.12 0.70 -2.13 -4.23 -1.26 -0.90 115.64 116.36 1x63 s THR 45 Ca 1.03 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 59.40 1x63 s THR 45 Cb -0.55 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 70.79 1x63 s THR 45 CO 0.42 -0.19 1.07 0.00 -0.54 0.00 0.00 174.62 175.38 1x63 n SER 47 N -2.98 0.18 -0.02 0.00 3.41 -0.24 -3.42 113.62 110.55 1x63 n SER 47 Ca 0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.66 1x63 n SER 47 Cb 0.58 1.62 -0.01 0.00 -0.26 0.00 0.00 64.21 66.15 1x63 n SER 47 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1x63 n ASN 48 N -2.40 0.56 0.14 4.04 5.15 -1.26 -4.60 115.26 116.88 1x63 n ASN 48 Ca -0.13 0.31 0.05 0.00 -0.60 0.00 0.00 54.58 54.21 1x63 n ASN 48 Cb 0.75 -0.61 0.03 0.00 -0.53 0.00 0.00 39.78 39.43 1x63 n ASN 48 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x63 n LYS 50 N -3.10 -5.09 -4.52 0.00 4.76 -1.22 -4.96 118.16 104.03 1x63 n LYS 50 Ca 0.00 0.63 -0.33 0.00 -2.87 0.00 0.00 58.31 55.75 1x63 n LYS 50 Cb 0.70 -5.03 -0.15 0.00 -1.84 0.00 0.00 35.03 28.72 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 -5.13 3.33 -0.44 1.97 -1.52 -1.26 -4.63 119.66 111.98 1x63 s GLN 51 Ca 0.05 -0.69 -0.41 0.00 -1.95 0.00 0.00 55.36 52.36 1x63 s GLN 51 Cb -0.02 -2.70 -0.16 0.00 -0.22 0.00 0.00 33.01 29.90 1x63 s GLN 51 CO 0.55 0.07 2.13 0.28 -0.25 0.00 0.00 175.29 178.06 1x63 n VAL 52 N 3.94 0.07 -0.05 1.09 0.31 -1.26 -2.77 118.33 119.67 1x63 n VAL 52 Ca -0.18 -0.09 -0.21 0.00 -0.01 0.00 0.00 64.34 63.85 1x63 n VAL 52 Cb 0.52 -0.91 -0.13 0.00 -0.91 0.00 0.00 33.84 32.41 1x63 n VAL 52 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1x63 h ILE 53 N 6.90 0.97 -0.49 2.52 2.04 -1.28 -3.48 117.51 124.68 1x63 h ILE 53 Ca -0.18 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.39 1x63 h ILE 53 Cb 1.38 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1x63 h ILE 53 CO 1.06 0.56 0.00 0.61 0.00 0.00 0.00 178.15 180.37 1x63 n GLY 54 N 1.64 0.88 0.27 5.37 0.00 -1.18 -2.49 105.19 109.68 1x63 n GLY 54 Ca -0.28 -0.77 0.16 0.00 0.00 0.00 0.00 46.02 45.13 1x63 n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x63 n THR 55 N 0.00 -0.34 -0.90 2.61 -2.24 -1.26 -4.57 114.28 107.58 1x63 n THR 55 Ca 0.00 1.73 -0.29 0.00 -2.27 0.00 0.00 64.05 63.22 1x63 n THR 55 Cb 0.00 -2.61 0.02 0.00 -2.10 0.00 0.00 70.33 65.63 1x63 n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x63 n GLY 56 N -1.35 -2.88 3.75 3.38 0.00 -1.04 -4.83 105.19 102.22 1x63 n GLY 56 Ca 0.22 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.78 4.87 0.32 1.61 0.01 -1.26 -5.00 113.70 113.48 1x63 s SER 57 Ca 0.40 2.35 -0.06 0.00 1.31 0.00 0.00 55.95 59.95 1x63 s SER 57 Cb -0.30 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.34 1x63 s SER 57 CO 0.56 -1.81 0.50 0.72 0.41 0.00 0.00 173.24 173.62 1x63 s PHE 58 N -1.77 0.79 -0.31 2.43 -0.12 -1.26 -3.50 117.98 114.25 1x63 s PHE 58 Ca 0.76 -1.11 -0.02 0.00 -0.05 0.00 0.00 56.93 56.51 1x63 s PHE 58 Cb -0.29 0.07 0.10 0.00 -0.63 0.00 0.00 43.02 42.27 1x63 s PHE 58 CO 0.38 -1.14 0.11 -0.06 -0.05 0.00 0.00 175.22 174.46 1x63 s PHE 59 N -3.22 1.19 -0.01 3.49 0.40 0.32 -4.80 117.98 115.35 1x63 s PHE 59 Ca 0.27 -1.43 -0.30 0.00 -0.60 0.00 0.00 56.93 54.87 1x63 s PHE 59 Cb -0.01 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 42.06 1x63 s PHE 59 CO 0.16 -0.86 1.46 -1.25 0.70 0.00 0.00 175.22 175.43 1x63 s PRO 60 N 1.76 4.25 0.55 0.24 0.04 -1.26 -0.38 135.00 140.20 1x63 s PRO 60 Ca 0.10 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.19 1x63 s PRO 60 Cb -0.17 -3.65 0.03 0.00 0.04 0.00 0.00 34.50 30.74 1x63 s PRO 60 CO -0.29 -0.65 0.27 0.15 0.04 0.00 0.00 177.00 176.52 1x63 s LYS 61 N 2.77 2.23 -0.41 4.56 3.01 0.02 -4.93 119.74 126.99 1x63 s LYS 61 Ca 0.66 -2.20 -0.27 0.00 -1.01 0.00 0.00 55.97 53.15 1x63 s LYS 61 Cb -0.32 -1.88 -0.06 0.00 -1.01 0.00 0.00 37.83 34.56 1x63 s LYS 61 CO 0.27 -0.58 2.35 0.20 0.51 0.00 0.00 175.35 178.10 1x63 s GLY 62 N -4.16 -0.15 -1.20 -3.33 0.00 -1.26 -2.08 107.32 95.14 1x63 s GLY 62 Ca 0.21 0.24 -0.06 0.00 0.00 0.00 0.00 44.72 45.12 1x63 s GLY 62 CO 0.13 4.04 1.03 1.18 0.00 0.00 0.00 173.10 179.48 1x63 n GLU 63 N 8.94 -6.92 -3.85 2.90 1.02 -1.26 -4.97 120.64 116.51 1x63 n GLU 63 Ca 0.35 0.76 0.01 0.00 -0.02 0.00 0.00 57.16 58.26 1x63 n GLU 63 Cb 0.52 -5.59 0.01 0.00 -0.02 0.00 0.00 31.44 26.36 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x63 s ASP 64 N -3.58 -0.02 -0.18 1.62 1.01 -0.88 -5.16 116.67 109.48 1x63 s ASP 64 Ca 0.37 -0.26 -0.04 0.00 0.71 0.00 0.00 52.55 53.33 1x63 s ASP 64 Cb -0.16 0.21 0.09 0.00 1.01 0.00 0.00 42.92 44.07 1x63 s ASP 64 CO 0.67 -0.42 0.28 -0.36 0.21 0.00 0.00 175.17 175.55 1x63 s PHE 65 N -2.21 -0.49 -0.20 4.23 0.08 -1.26 -0.80 117.98 117.33 1x63 s PHE 65 Ca 0.23 0.73 -0.07 0.00 0.12 0.00 0.00 56.93 57.94 1x63 s PHE 65 Cb 0.01 -0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.31 1x63 s PHE 65 CO -0.01 -0.52 0.07 0.71 -0.10 0.00 0.00 175.22 175.37 1x63 s TYR 66 N 2.43 3.20 0.86 0.36 1.51 0.48 -1.08 117.35 125.11 1x63 s TYR 66 Ca 0.05 -0.05 -0.11 0.00 -1.01 0.00 0.00 57.07 55.96 1x63 s TYR 66 Cb -0.14 -2.13 0.11 0.00 -0.11 0.00 0.00 41.96 39.69 1x63 s TYR 66 CO -0.12 0.01 1.10 0.00 -1.11 0.00 0.00 175.55 175.44 1x63 n VAL 68 N -3.85 0.00 -0.07 0.00 0.31 -1.23 -0.99 118.33 112.50 1x63 n VAL 68 Ca 0.09 1.35 -0.02 0.00 -0.01 0.00 0.00 64.34 65.75 1x63 n VAL 68 Cb 0.53 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.57 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 -2.34 -0.12 -0.34 2.52 -1.04 -1.26 0.83 114.28 112.53 1x63 n THR 69 Ca 0.00 1.45 0.18 0.00 -2.04 0.00 0.00 64.05 63.64 1x63 n THR 69 Cb 0.00 -1.89 0.35 0.00 -1.82 0.00 0.00 70.33 66.97 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 0.09 -0.56 0.00 2.76 0.19 0.51 115.15 118.15 1x63 h HIS 71 Ca 0.65 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.71 1x63 h HIS 71 Cb 1.43 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.36 1x63 h HIS 71 CO -0.42 0.70 0.04 0.93 -1.30 0.00 0.00 177.93 177.88 1x63 h GLU 72 N 0.05 0.92 0.02 5.26 5.08 0.92 0.16 114.58 126.99 1x63 h GLU 72 Ca -0.01 -0.25 -0.33 0.00 -1.00 0.00 0.00 59.36 57.77 1x63 h GLU 72 Cb 1.16 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 1x63 h GLU 72 CO 0.09 0.89 -1.99 -2.37 -1.00 0.00 0.00 179.01 174.62 1x63 n THR 73 N -4.21 1.58 0.11 1.13 5.66 -0.11 -3.52 114.28 114.92 1x63 n THR 73 Ca 0.03 -0.77 -0.05 0.00 -3.05 0.00 0.00 64.05 60.22 1x63 n THR 73 Cb 0.30 -1.07 -0.02 0.00 -1.55 0.00 0.00 70.33 67.99 1x63 n THR 73 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1x63 h LYS 74 N 0.01 -0.33 0.00 1.09 3.64 0.05 -3.44 116.57 117.60 1x63 h LYS 74 Ca -0.40 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1x63 h LYS 74 Cb 2.06 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.96 1x63 h LYS 74 CO 0.05 -0.22 0.00 1.19 -2.27 0.00 0.00 179.45 178.21 1x63 n PHE 75 N -4.21 0.00 -0.91 1.91 3.01 0.32 -4.95 117.46 112.63 1x63 n PHE 75 Ca -0.04 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.09 1x63 n PHE 75 Cb 0.13 -0.23 0.12 0.00 -0.01 0.00 0.00 39.48 39.50 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 -1.72 -1.59 -2.24 4.37 0.00 0.14 -4.99 120.51 114.48 1x63 n ALA 76 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.72 1x63 n ALA 76 Cb 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 19.45 17.51 1x63 n ALA 76 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x63 s SER 77 N -2.07 4.79 0.32 0.00 0.01 -1.24 -4.01 113.70 111.50 1x63 s SER 77 Ca 0.63 -1.13 -0.01 0.00 1.31 0.00 0.00 55.95 56.76 1x63 s SER 77 Cb -0.25 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1x63 s SER 77 CO 0.61 -1.29 0.43 0.61 0.41 0.00 0.00 173.24 174.01 1x63 n GLY 78 N -2.03 2.27 0.00 3.44 0.00 -1.26 -4.92 105.19 102.69 1x63 n GLY 78 Ca 0.06 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.53 1x63 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x63 n PRO 79 N -0.54 0.28 -4.36 1.61 -0.04 -1.26 -4.72 135.00 125.98 1x63 n PRO 79 Ca 0.01 0.11 -0.27 0.00 -0.04 0.00 0.00 63.50 63.31 1x63 n PRO 79 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1x63 n PRO 79 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x63 s SER 80 N -2.42 3.85 0.47 3.54 0.15 -1.26 -5.09 113.70 112.93 1x63 s SER 80 Ca 0.16 -0.74 -0.19 0.00 0.70 0.00 0.00 55.95 55.88 1x63 s SER 80 Cb 0.10 -0.49 -0.14 0.00 -1.71 0.00 0.00 66.02 63.78 1x63 s SER 80 CO 0.21 0.11 0.07 -1.20 1.20 0.00 0.00 173.24 173.63 1x63 n SER 81 N 0.10 -2.88 0.00 5.45 7.64 -1.26 -5.10 113.62 117.57 1x63 n SER 81 Ca -0.11 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1x63 n SER 81 Cb 0.56 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1x63 n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64