#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 6.27 -0.07 1.61 0.15 -1.26 -5.07 113.70 115.34 1x63 s SER 2 Ca 0.00 0.16 -0.07 0.00 0.70 0.00 0.00 55.95 56.74 1x63 s SER 2 Cb 0.00 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1x63 s SER 2 CO 0.00 -0.28 0.19 -0.94 1.20 0.00 0.00 173.24 173.41 1x63 s SER 3 N 1.67 6.44 -0.47 5.45 1.04 -1.26 -5.03 113.70 121.54 1x63 s SER 3 Ca 0.16 0.50 0.05 0.00 0.48 0.00 0.00 55.95 57.14 1x63 s SER 3 Cb -0.16 -2.07 0.26 0.00 0.10 0.00 0.00 66.02 64.15 1x63 s SER 3 CO 0.11 0.35 0.98 0.61 0.98 0.00 0.00 173.24 176.27 1x63 n GLY 4 N 1.63 0.02 3.75 7.32 0.00 -1.26 -5.15 105.19 111.50 1x63 n GLY 4 Ca -0.16 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1x63 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x63 s SER 5 N -1.47 0.10 0.18 1.61 0.01 -1.26 -5.18 113.70 107.69 1x63 s SER 5 Ca 0.29 -1.09 0.09 0.00 1.31 0.00 0.00 55.95 56.54 1x63 s SER 5 Cb 0.24 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 67.21 1x63 s SER 5 CO -0.19 -1.53 -0.18 -0.55 0.41 0.00 0.00 173.24 171.20 1x63 s SER 6 N -3.07 2.74 0.00 2.44 0.15 -1.26 -5.11 113.70 109.59 1x63 s SER 6 Ca 0.18 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1x63 s SER 6 Cb -0.04 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1x63 s SER 6 CO 0.12 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1x63 n GLY 7 N 0.11 2.74 3.55 9.45 0.00 -1.26 -4.97 105.19 114.82 1x63 n GLY 7 Ca -0.12 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 1x63 n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x63 s LYS 8 N -2.03 2.53 -1.04 1.61 2.20 -1.26 -4.90 119.74 116.85 1x63 s LYS 8 Ca 0.00 0.24 -0.15 0.00 -0.36 0.00 0.00 55.97 55.70 1x63 s LYS 8 Cb 0.00 -4.72 0.18 0.00 -1.51 0.00 0.00 37.83 31.79 1x63 s LYS 8 CO 0.00 -3.12 1.18 0.00 -0.36 0.00 0.00 175.35 173.05 1x63 s THR 10 N 1.27 1.23 -0.85 0.00 -4.23 -1.26 -5.06 115.64 106.74 1x63 s THR 10 Ca 0.34 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.59 1x63 s THR 10 Cb -0.06 -2.72 -0.07 0.00 1.34 0.00 0.00 72.50 70.99 1x63 s THR 10 CO -0.06 0.00 2.08 -0.89 -0.54 0.00 0.00 174.62 175.21 1x63 s THR 11 N -3.16 3.32 0.09 3.99 2.01 -1.26 -4.87 115.64 115.76 1x63 s THR 11 Ca 0.32 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.92 1x63 s THR 11 Cb 0.08 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.90 1x63 s THR 11 CO 0.15 -0.68 0.40 -0.60 -0.69 0.00 0.00 174.62 173.20 1x63 s ARG 12 N 7.54 1.00 0.18 4.92 3.52 -1.26 -5.16 118.95 129.69 1x63 s ARG 12 Ca 0.77 -0.58 -0.23 0.00 -0.13 0.00 0.00 55.73 55.56 1x63 s ARG 12 Cb -0.09 0.44 -0.08 0.00 -1.56 0.00 0.00 34.95 33.66 1x63 s ARG 12 CO 0.03 -0.37 0.74 -2.00 -0.81 0.00 0.00 175.30 172.89 1x63 s GLU 13 N -3.26 4.42 1.40 5.12 2.56 -1.26 -5.06 118.70 122.62 1x63 s GLU 13 Ca -0.00 1.02 -0.22 0.00 0.00 0.00 0.00 54.97 55.76 1x63 s GLU 13 Cb 0.01 -3.12 0.36 0.00 2.00 0.00 0.00 34.13 33.38 1x63 s GLU 13 CO -0.08 0.51 0.94 0.16 -0.56 0.00 0.00 175.26 176.23 1x63 s ASP 14 N -1.32 -0.90 -0.00 -1.70 -4.77 -1.26 -5.07 116.67 101.64 1x63 s ASP 14 Ca 0.38 0.89 -0.16 0.00 -3.30 0.00 0.00 52.55 50.36 1x63 s ASP 14 Cb -0.20 -1.27 0.03 0.00 -1.09 0.00 0.00 42.92 40.38 1x63 s ASP 14 CO 0.24 -5.27 0.35 -0.94 0.70 0.00 0.00 175.17 170.24 1x63 s SER 15 N -3.13 -0.22 -0.59 2.11 1.04 -1.26 -5.11 113.70 106.54 1x63 s SER 15 Ca 0.69 0.07 -0.27 0.00 0.48 0.00 0.00 55.95 56.92 1x63 s SER 15 Cb -0.14 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 1x63 s SER 15 CO 0.58 -0.51 1.85 -2.16 0.98 0.00 0.00 173.24 173.98 1x63 s PRO 16 N -1.66 2.68 0.35 4.02 0.04 -1.23 -4.80 135.00 134.40 1x63 s PRO 16 Ca -0.11 0.66 -0.27 0.00 0.04 0.00 0.00 61.00 61.32 1x63 s PRO 16 Cb -0.04 -4.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.04 1x63 s PRO 16 CO 0.03 -2.67 1.15 0.15 0.04 0.00 0.00 177.00 175.70 1x63 s LYS 17 N 6.93 4.29 0.67 4.56 -0.14 -1.26 0.47 119.74 135.27 1x63 s LYS 17 Ca 0.68 1.84 -0.09 0.00 -1.36 0.00 0.00 55.97 57.04 1x63 s LYS 17 Cb -0.13 -2.88 0.03 0.00 -1.68 0.00 0.00 37.83 33.17 1x63 s LYS 17 CO 0.22 -0.11 1.02 0.00 -0.76 0.00 0.00 175.35 175.71 1x63 n LYS 19 N -2.87 0.32 0.46 0.00 3.00 -1.24 -3.59 118.16 114.24 1x63 n LYS 19 Ca 0.06 0.08 -0.19 0.00 -0.00 0.00 0.00 58.31 58.26 1x63 n LYS 19 Cb 0.58 -1.25 -0.09 0.00 0.00 0.00 0.00 35.03 34.28 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 0.94 -1.24 0.58 3.14 0.00 -1.92 -3.31 103.07 101.26 1x63 h GLY 20 Ca -0.29 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1x63 h GLY 20 CO -0.05 -0.45 -1.33 0.00 0.00 0.00 0.00 176.54 174.71 1x63 n PHE 22 N -2.38 -0.90 -4.83 0.00 3.72 -1.24 -5.03 117.46 106.81 1x63 n PHE 22 Ca -0.01 0.22 -0.33 0.00 -0.05 0.00 0.00 57.45 57.28 1x63 n PHE 22 Cb 0.53 -2.71 -0.14 0.00 -0.94 0.00 0.00 39.48 36.23 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 -5.01 2.92 -0.02 -1.08 1.02 -1.26 -4.73 119.74 111.57 1x63 s LYS 23 Ca 0.13 -0.69 -0.38 0.00 0.02 0.00 0.00 55.97 55.06 1x63 s LYS 23 Cb -0.06 -2.50 -0.16 0.00 -0.52 0.00 0.00 37.83 34.59 1x63 s LYS 23 CO 0.16 0.44 1.47 0.00 -0.92 0.00 0.00 175.35 176.50 1x63 n ALA 24 N 2.86 -0.67 -2.95 5.17 0.00 -1.26 -1.96 120.51 121.70 1x63 n ALA 24 Ca -0.18 0.47 -0.25 0.00 0.00 0.00 0.00 53.44 53.49 1x63 n ALA 24 Cb 0.52 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.81 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 1.43 5.29 0.49 0.00 1.01 0.18 -4.85 121.20 124.74 1x63 s ILE 25 Ca 0.88 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1x63 s ILE 25 Cb -0.98 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 37.71 1x63 s ILE 25 CO 0.52 -0.15 0.03 0.68 0.00 0.00 0.00 174.94 176.02 1x63 s VAL 26 N -1.80 1.40 -0.12 2.92 -7.23 -1.26 -3.54 120.40 110.77 1x63 s VAL 26 Ca 0.34 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.46 1x63 s VAL 26 Cb -0.11 -2.36 -0.07 0.00 0.56 0.00 0.00 36.38 34.40 1x63 s VAL 26 CO 0.28 0.00 0.17 0.00 -0.31 0.00 0.00 175.10 175.25 1x63 h ALA 27 N 1.41 0.01 -1.11 1.32 0.00 -2.00 -3.34 119.26 115.55 1x63 h ALA 27 Ca -0.44 -0.23 0.33 0.00 0.00 0.00 0.00 54.91 54.58 1x63 h ALA 27 Cb 1.30 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.05 1x63 h ALA 27 CO 0.75 0.09 0.69 0.78 0.00 0.00 0.00 179.25 181.56 1x63 h GLY 28 N -1.00 1.53 -3.24 0.00 0.00 -2.05 -3.40 103.07 94.91 1x63 h GLY 28 Ca -0.02 -0.19 -0.49 0.00 0.00 0.00 0.00 47.33 46.63 1x63 h GLY 28 CO -0.01 -0.33 0.44 -0.35 0.00 0.00 0.00 176.54 176.29 1x63 s ASP 29 N -4.91 6.97 -0.10 0.19 2.15 -1.26 -4.98 116.67 114.73 1x63 s ASP 29 Ca -0.09 2.16 -0.30 0.00 0.43 0.00 0.00 52.55 54.75 1x63 s ASP 29 Cb 0.28 -2.61 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 1x63 s ASP 29 CO 0.80 -0.35 1.31 -1.10 -0.17 0.00 0.00 175.17 175.66 1x63 s GLN 30 N -2.02 4.27 0.32 4.34 1.11 -1.26 -4.82 119.66 121.60 1x63 s GLN 30 Ca 0.52 1.76 -0.00 0.00 0.01 0.00 0.00 55.36 57.65 1x63 s GLN 30 Cb -0.27 -3.71 -0.01 0.00 -1.01 0.00 0.00 33.01 28.02 1x63 s GLN 30 CO 0.34 -0.63 0.40 -0.80 0.01 0.00 0.00 175.29 174.60 1x63 s ASN 31 N 1.98 1.01 -0.31 5.90 0.01 -1.26 -0.65 114.94 121.62 1x63 s ASN 31 Ca 0.58 -1.52 0.01 0.00 -0.71 0.00 0.00 52.86 51.22 1x63 s ASN 31 Cb -0.25 0.61 0.09 0.00 0.41 0.00 0.00 41.25 42.11 1x63 s ASN 31 CO 0.20 -1.19 0.06 -0.69 -1.51 0.00 0.00 177.10 173.96 1x63 s VAL 32 N -3.29 1.45 -0.27 1.60 1.01 0.46 -4.67 120.40 116.68 1x63 s VAL 32 Ca 0.33 -1.68 -0.14 0.00 0.00 0.00 0.00 61.98 60.50 1x63 s VAL 32 Cb 0.01 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1x63 s VAL 32 CO 0.21 -0.55 0.32 -0.70 0.00 0.00 0.00 175.10 174.37 1x63 s GLU 33 N 1.34 3.98 -0.15 2.72 2.12 -1.26 -0.83 118.70 126.63 1x63 s GLU 33 Ca 0.08 -0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 1x63 s GLU 33 Cb -0.18 -3.66 0.04 0.00 0.26 0.00 0.00 34.13 30.59 1x63 s GLU 33 CO -0.16 -0.25 -0.04 -0.47 -0.54 0.00 0.00 175.26 173.80 1x63 s TYR 34 N 1.97 1.46 -1.52 5.30 6.14 -0.13 -4.80 117.35 125.77 1x63 s TYR 34 Ca 0.12 -0.89 -0.14 0.00 0.64 0.00 0.00 57.07 56.81 1x63 s TYR 34 Cb -0.16 -1.21 0.08 0.00 0.42 0.00 0.00 41.96 41.10 1x63 s TYR 34 CO 0.10 -0.56 0.98 1.63 0.64 0.00 0.00 175.55 178.34 1x63 n LYS 35 N 4.94 -5.56 0.00 4.97 5.02 -1.26 -3.20 118.16 123.07 1x63 n LYS 35 Ca -0.11 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1x63 n LYS 35 Cb 0.48 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 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 -1.69 2.12 3.12 0.72 0.00 -1.26 -5.05 105.19 103.15 1x63 n GLY 36 Ca 0.04 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 0.02 -3.72 2.61 -1.04 -1.19 -4.89 114.28 106.07 1x63 n THR 37 Ca 0.00 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.05 61.48 1x63 n THR 37 Cb 0.00 -0.18 -0.12 0.00 -1.82 0.00 0.00 70.33 68.21 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 -2.11 -0.03 -0.17 12.58 0.11 -1.26 -0.95 120.40 128.57 1x63 s VAL 38 Ca 0.45 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 1x63 s VAL 38 Cb -0.20 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 1x63 s VAL 38 CO 0.78 0.05 -0.17 0.26 -3.33 0.00 0.00 175.10 172.69 1x63 s TRP 39 N 1.23 2.78 0.27 1.54 0.51 -0.01 -3.70 118.94 121.57 1x63 s TRP 39 Ca -0.09 -1.36 -0.27 0.00 -2.12 0.00 0.00 56.10 52.26 1x63 s TRP 39 Cb -0.09 -1.92 -0.15 0.00 -0.81 0.00 0.00 33.47 30.50 1x63 s TRP 39 CO -0.09 -0.66 0.76 0.72 -0.51 0.00 0.00 176.95 177.17 1x63 n HIS 40 N 4.41 0.36 -0.16 -1.98 8.25 -1.26 -0.41 115.22 124.43 1x63 n HIS 40 Ca -0.20 0.80 0.26 0.00 -0.26 0.00 0.00 57.72 58.32 1x63 n HIS 40 Cb 0.51 -2.10 0.43 0.00 1.12 0.00 0.00 29.99 29.94 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 1.46 0.00 0.01 -0.41 3.64 -1.17 1.69 116.57 121.79 1x63 h LYS 41 Ca -0.35 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.67 1x63 h LYS 41 Cb 1.39 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.14 1x63 h LYS 41 CO 0.58 0.00 -2.27 -0.40 -2.27 0.00 0.00 179.45 175.09 1x63 n ASP 42 N -3.22 0.72 -0.03 4.20 5.75 -1.26 -3.25 116.55 119.46 1x63 n ASP 42 Ca 0.21 0.05 -0.13 0.00 -0.01 0.00 0.00 54.79 54.91 1x63 n ASP 42 Cb 1.44 0.39 -0.08 0.00 -1.03 0.00 0.00 41.12 41.84 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 -4.74 1.37 -4.52 0.00 7.35 0.59 -4.88 117.46 112.63 1x63 n PHE 44 Ca -0.07 0.21 -0.25 0.00 -0.76 0.00 0.00 57.45 56.58 1x63 n PHE 44 Cb 0.28 -2.56 -0.11 0.00 0.35 0.00 0.00 39.48 37.45 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 9.44 1.79 0.75 -2.13 -4.23 -1.26 -0.20 115.64 119.80 1x63 s THR 45 Ca 1.10 -2.07 -0.12 0.00 -1.18 0.00 0.00 61.69 59.42 1x63 s THR 45 Cb -0.66 -2.76 0.04 0.00 1.34 0.00 0.00 72.50 70.47 1x63 s THR 45 CO 0.40 -0.11 1.13 0.00 -0.54 0.00 0.00 174.62 175.50 1x63 n SER 47 N -3.15 1.28 -0.08 0.00 7.64 -0.27 -3.37 113.62 115.67 1x63 n SER 47 Ca 0.07 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.87 1x63 n SER 47 Cb 0.59 1.65 -0.03 0.00 -1.01 0.00 0.00 64.21 65.41 1x63 n SER 47 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x63 n ASN 48 N -2.12 1.85 0.07 6.43 5.15 -1.26 -4.59 115.26 120.79 1x63 n ASN 48 Ca -0.05 0.52 0.11 0.00 -0.60 0.00 0.00 54.58 54.56 1x63 n ASN 48 Cb 0.48 -0.85 -0.04 0.00 -0.53 0.00 0.00 39.78 38.85 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 -2.48 -6.50 -4.00 0.00 4.01 -1.22 -4.96 118.16 103.01 1x63 n LYS 50 Ca -0.01 0.75 -0.35 0.00 -0.51 0.00 0.00 58.31 58.19 1x63 n LYS 50 Cb 0.54 -5.50 -0.14 0.00 -0.51 0.00 0.00 35.03 29.42 1x63 n LYS 50 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1x63 s GLN 51 N -5.69 3.39 -0.46 1.97 -0.21 -1.26 -4.61 119.66 112.78 1x63 s GLN 51 Ca 0.26 -0.63 -0.42 0.00 0.02 0.00 0.00 55.36 54.59 1x63 s GLN 51 Cb -0.12 -2.97 -0.18 0.00 1.00 0.00 0.00 33.01 30.74 1x63 s GLN 51 CO 0.65 -0.14 1.70 0.28 -2.12 0.00 0.00 175.29 175.65 1x63 n VAL 52 N 4.63 0.00 -0.07 1.09 0.31 -1.26 -2.92 118.33 120.11 1x63 n VAL 52 Ca -0.18 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.94 1x63 n VAL 52 Cb 0.51 -0.46 -0.13 0.00 -0.91 0.00 0.00 33.84 32.85 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 4.70 1.63 -3.03 2.52 5.41 0.72 -4.92 119.36 126.40 1x63 n ILE 53 Ca 0.38 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1x63 n ILE 53 Cb -0.05 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 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 1.95 0.85 0.31 7.39 0.00 -1.02 -2.17 105.19 112.49 1x63 n GLY 54 Ca -0.39 -0.75 0.28 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.40 -0.96 2.61 -2.24 -1.26 -4.60 114.28 107.43 1x63 n THR 55 Ca 0.00 1.97 -0.30 0.00 -2.27 0.00 0.00 64.05 63.44 1x63 n THR 55 Cb 0.00 -3.13 0.01 0.00 -2.10 0.00 0.00 70.33 65.11 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 -1.29 -2.71 3.77 3.38 0.00 -0.92 -4.79 105.19 102.63 1x63 n GLY 56 Ca 0.34 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.79 6.47 0.30 1.61 0.01 -1.26 -5.00 113.70 115.04 1x63 s SER 57 Ca 0.43 2.89 0.02 0.00 1.31 0.00 0.00 55.95 60.60 1x63 s SER 57 Cb -0.36 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.17 1x63 s SER 57 CO 0.54 -0.77 0.12 0.72 0.41 0.00 0.00 173.24 174.27 1x63 s PHE 58 N -1.14 1.63 -0.30 2.43 -0.71 -1.26 -3.28 117.98 115.35 1x63 s PHE 58 Ca 0.52 -1.24 -0.02 0.00 -1.04 0.00 0.00 56.93 55.15 1x63 s PHE 58 Cb -0.43 -0.95 0.10 0.00 -1.21 0.00 0.00 43.02 40.53 1x63 s PHE 58 CO 0.58 -0.37 0.11 -0.06 -1.34 0.00 0.00 175.22 174.14 1x63 s PHE 59 N -3.59 1.19 -0.21 3.49 0.40 0.29 -4.83 117.98 114.72 1x63 s PHE 59 Ca 0.35 -1.40 -0.29 0.00 -0.60 0.00 0.00 56.93 54.99 1x63 s PHE 59 Cb 0.06 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 1x63 s PHE 59 CO 0.15 -0.85 1.60 -1.25 0.70 0.00 0.00 175.22 175.57 1x63 s PRO 60 N 1.80 3.83 0.58 0.24 0.04 -1.26 -0.44 135.00 139.79 1x63 s PRO 60 Ca 0.09 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.90 1x63 s PRO 60 Cb -0.17 -4.02 0.08 0.00 0.04 0.00 0.00 34.50 30.43 1x63 s PRO 60 CO -0.29 -1.25 0.68 0.15 0.04 0.00 0.00 177.00 176.33 1x63 s LYS 61 N 4.59 2.24 -0.39 4.56 -0.14 -0.08 -4.94 119.74 125.58 1x63 s LYS 61 Ca 0.71 -1.82 -0.27 0.00 -1.36 0.00 0.00 55.97 53.23 1x63 s LYS 61 Cb -0.25 -2.44 -0.06 0.00 -1.68 0.00 0.00 37.83 33.40 1x63 s LYS 61 CO 0.29 -0.84 2.29 0.20 -0.76 0.00 0.00 175.35 176.53 1x63 s GLY 62 N -4.57 -0.03 -1.24 -3.33 0.00 -1.26 -2.14 107.32 94.75 1x63 s GLY 62 Ca 0.52 0.28 -0.06 0.00 0.00 0.00 0.00 44.72 45.46 1x63 s GLY 62 CO 0.33 3.96 1.07 1.18 0.00 0.00 0.00 173.10 179.64 1x63 n GLU 63 N 8.91 -7.20 -3.89 2.90 4.71 -1.26 -4.96 120.64 119.85 1x63 n GLU 63 Ca 0.33 0.79 0.01 0.00 -0.01 0.00 0.00 57.16 58.28 1x63 n GLU 63 Cb 0.51 -5.69 0.01 0.00 -1.01 0.00 0.00 31.44 25.25 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1x63 s ASP 64 N -3.58 -0.01 -0.17 1.62 1.01 -0.91 -5.15 116.67 109.48 1x63 s ASP 64 Ca 0.40 -0.26 -0.04 0.00 0.71 0.00 0.00 52.55 53.36 1x63 s ASP 64 Cb -0.18 0.20 0.08 0.00 1.01 0.00 0.00 42.92 44.04 1x63 s ASP 64 CO 0.69 -0.40 0.23 -0.36 0.21 0.00 0.00 175.17 175.54 1x63 s PHE 65 N -2.14 -0.32 -0.12 4.23 0.40 -1.26 -0.90 117.98 117.86 1x63 s PHE 65 Ca 0.25 0.49 -0.05 0.00 -0.60 0.00 0.00 56.93 57.03 1x63 s PHE 65 Cb 0.00 -0.25 -0.04 0.00 0.51 0.00 0.00 43.02 43.25 1x63 s PHE 65 CO -0.00 -0.49 0.04 0.71 0.70 0.00 0.00 175.22 176.17 1x63 s TYR 66 N 2.35 3.26 0.73 0.36 1.51 0.42 -1.11 117.35 124.87 1x63 s TYR 66 Ca 0.05 0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 56.18 1x63 s TYR 66 Cb -0.14 -1.91 0.03 0.00 -0.11 0.00 0.00 41.96 39.83 1x63 s TYR 66 CO -0.10 0.39 1.08 0.00 -1.11 0.00 0.00 175.55 175.80 1x63 n VAL 68 N -3.23 0.00 -0.16 0.00 0.31 -1.21 -0.77 118.33 113.27 1x63 n VAL 68 Ca 0.07 1.34 -0.04 0.00 -0.01 0.00 0.00 64.34 65.70 1x63 n VAL 68 Cb 0.55 -1.81 -0.04 0.00 -0.91 0.00 0.00 33.84 31.63 1x63 n VAL 68 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1x63 h THR 69 N 0.00 0.00 -0.97 2.52 2.02 -1.93 0.78 112.91 115.32 1x63 h THR 69 Ca 0.00 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.40 1x63 h THR 69 Cb 0.00 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.23 1x63 h THR 69 CO 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.74 1x63 h HIS 71 N 0.00 0.14 -0.44 0.00 2.76 0.15 0.65 115.15 118.42 1x63 h HIS 71 Ca 0.51 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.53 1x63 h HIS 71 Cb 0.88 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.80 1x63 h HIS 71 CO -0.66 0.56 -0.17 0.93 -1.30 0.00 0.00 177.93 177.29 1x63 h GLU 72 N 0.10 0.84 0.00 5.26 4.39 0.83 0.25 114.58 126.25 1x63 h GLU 72 Ca 0.00 -0.32 -0.28 0.00 0.34 0.00 0.00 59.36 59.10 1x63 h GLU 72 Cb 0.87 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.42 1x63 h GLU 72 CO 0.07 0.95 -1.74 -2.37 -1.16 0.00 0.00 179.01 174.75 1x63 n THR 73 N -4.13 1.51 0.13 1.13 5.66 0.45 -3.11 114.28 115.92 1x63 n THR 73 Ca 0.01 -0.79 -0.07 0.00 -3.05 0.00 0.00 64.05 60.15 1x63 n THR 73 Cb 0.41 -0.93 -0.04 0.00 -1.55 0.00 0.00 70.33 68.23 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 0.00 -0.40 0.00 1.09 3.64 0.34 -3.44 116.57 117.80 1x63 h LYS 74 Ca -0.29 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1x63 h LYS 74 Cb 1.97 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.88 1x63 h LYS 74 CO 0.07 -0.21 0.00 1.19 -2.27 0.00 0.00 179.45 178.23 1x63 n PHE 75 N -5.05 0.00 -0.36 1.91 3.01 0.02 -5.00 117.46 111.99 1x63 n PHE 75 Ca -0.06 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.20 1x63 n PHE 75 Cb 0.19 -0.12 0.19 0.00 -0.01 0.00 0.00 39.48 39.73 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 -1.81 -3.40 -3.75 4.37 0.00 -0.85 -4.99 120.51 110.08 1x63 n ALA 76 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 53.44 52.15 1x63 n ALA 76 Cb 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.39 3.82 0.00 0.00 0.01 -1.18 -4.34 113.70 109.63 1x63 s SER 77 Ca 0.43 -2.48 0.00 0.00 1.31 0.00 0.00 55.95 55.21 1x63 s SER 77 Cb -0.08 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.06 1x63 s SER 77 CO 0.36 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1x63 n GLY 78 N 3.74 1.82 1.38 3.44 0.00 -1.23 -5.07 105.19 109.27 1x63 n GLY 78 Ca 0.06 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.12 -1.86 -3.72 1.61 -0.04 -1.26 -5.02 135.00 124.60 1x63 n PRO 79 Ca 0.00 -0.69 -0.38 0.00 -0.04 0.00 0.00 63.50 62.39 1x63 n PRO 79 Cb 0.00 -0.65 -0.12 0.00 -0.04 0.00 0.00 33.50 32.69 1x63 n PRO 79 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x63 s SER 80 N -2.67 5.34 -0.16 3.54 1.04 -1.26 -4.93 113.70 114.61 1x63 s SER 80 Ca 0.28 -0.86 -0.06 0.00 0.48 0.00 0.00 55.95 55.79 1x63 s SER 80 Cb -0.03 -1.92 -0.07 0.00 0.10 0.00 0.00 66.02 64.10 1x63 s SER 80 CO 0.21 -0.27 -0.18 -0.24 0.98 0.00 0.00 173.24 173.74 1x63 n SER 81 N 4.89 1.55 0.00 7.02 2.88 -1.26 -5.31 113.62 123.39 1x63 n SER 81 Ca -0.13 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1x63 n SER 81 Cb 0.47 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1x63 n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42