#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 7.29 0.08 1.61 1.04 -1.26 -4.96 113.70 117.50 1x63 s SER 2 Ca 0.00 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.05 1x63 s SER 2 Cb 0.00 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1x63 s SER 2 CO 0.00 0.11 0.00 -1.20 0.98 0.00 0.00 173.24 173.13 1x63 n SER 3 N 1.16 0.23 -4.87 7.02 7.64 -1.26 -5.10 113.62 118.44 1x63 n SER 3 Ca -0.03 0.13 -0.25 0.00 1.01 0.00 0.00 58.87 59.72 1x63 n SER 3 Cb 0.50 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 1x63 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x63 s GLY 4 N -4.76 1.65 0.06 0.23 0.00 -1.26 -5.13 107.32 98.11 1x63 s GLY 4 Ca 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 44.72 43.50 1x63 s GLY 4 CO 0.00 -1.17 0.10 -0.56 0.00 0.00 0.00 173.10 171.46 1x63 s SER 5 N -3.27 0.23 0.42 1.64 0.01 -1.26 -5.18 113.70 106.29 1x63 s SER 5 Ca 0.33 -0.67 0.08 0.00 1.31 0.00 0.00 55.95 56.99 1x63 s SER 5 Cb -0.10 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.36 1x63 s SER 5 CO 0.26 -0.60 0.34 -0.44 0.41 0.00 0.00 173.24 173.21 1x63 s SER 6 N -2.53 4.92 0.00 2.44 0.01 -1.26 -5.05 113.70 112.23 1x63 s SER 6 Ca 0.01 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1x63 s SER 6 Cb 0.03 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.71 1x63 s SER 6 CO -0.08 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1x63 n GLY 7 N -1.49 -1.88 3.43 3.44 0.00 -1.26 -5.11 105.19 102.33 1x63 n GLY 7 Ca 0.03 0.51 -0.38 0.00 0.00 0.00 0.00 46.02 46.17 1x63 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x63 s LYS 8 N -0.70 3.36 -0.36 1.61 -0.14 -1.26 -4.97 119.74 117.28 1x63 s LYS 8 Ca 0.00 -0.69 0.06 0.00 -1.36 0.00 0.00 55.97 53.98 1x63 s LYS 8 Cb 0.00 -3.50 0.45 0.00 -1.68 0.00 0.00 37.83 33.10 1x63 s LYS 8 CO 0.00 -0.38 1.22 0.00 -0.76 0.00 0.00 175.35 175.44 1x63 s THR 10 N -4.90 4.01 -0.00 0.00 -1.32 -1.26 -5.02 115.64 107.15 1x63 s THR 10 Ca 0.51 1.33 0.08 0.00 -1.21 0.00 0.00 61.69 62.40 1x63 s THR 10 Cb 0.41 -3.86 -0.02 0.00 -1.51 0.00 0.00 72.50 67.52 1x63 s THR 10 CO -0.04 -0.03 -0.24 0.28 -2.21 0.00 0.00 174.62 172.39 1x63 s THR 11 N 2.61 2.28 -0.31 5.08 -1.32 -1.26 -5.04 115.64 117.68 1x63 s THR 11 Ca 0.60 -1.13 0.12 0.00 -1.21 0.00 0.00 61.69 60.07 1x63 s THR 11 Cb -0.27 -1.85 0.47 0.00 -1.51 0.00 0.00 72.50 69.34 1x63 s THR 11 CO 0.23 0.51 1.12 -2.11 -2.21 0.00 0.00 174.62 172.16 1x63 n ARG 12 N 2.18 2.77 -3.71 7.08 1.85 -1.26 -5.04 116.66 120.54 1x63 n ARG 12 Ca -0.16 -3.94 -0.13 0.00 -1.00 0.00 0.00 57.85 52.62 1x63 n ARG 12 Cb 0.51 -1.97 -0.10 0.00 -1.05 0.00 0.00 32.46 29.86 1x63 n ARG 12 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1x63 s GLU 13 N -3.59 0.52 -0.52 2.89 2.02 -1.26 -5.12 118.70 113.64 1x63 s GLU 13 Ca 0.41 0.67 -0.01 0.00 0.02 0.00 0.00 54.97 56.07 1x63 s GLU 13 Cb 0.39 0.22 0.14 0.00 0.10 0.00 0.00 34.13 34.97 1x63 s GLU 13 CO -0.02 -0.08 0.30 0.34 0.02 0.00 0.00 175.26 175.82 1x63 s ASP 14 N 0.45 5.02 0.05 -0.19 -1.08 -1.26 -5.06 116.67 114.59 1x63 s ASP 14 Ca -0.02 -2.60 -0.08 0.00 -0.52 0.00 0.00 52.55 49.34 1x63 s ASP 14 Cb -0.04 -1.78 -0.00 0.00 -1.46 0.00 0.00 42.92 39.63 1x63 s ASP 14 CO -0.02 -0.39 0.16 -0.44 0.52 0.00 0.00 175.17 175.00 1x63 s SER 15 N 0.82 0.10 -0.55 -0.34 0.01 -1.26 -5.11 113.70 107.38 1x63 s SER 15 Ca 0.14 -0.47 -0.27 0.00 1.31 0.00 0.00 55.95 56.66 1x63 s SER 15 Cb -0.22 0.27 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 1x63 s SER 15 CO -0.03 -0.56 1.83 -2.16 0.41 0.00 0.00 173.24 172.72 1x63 s PRO 16 N -2.77 2.80 0.33 12.44 0.04 -1.19 -4.80 135.00 141.84 1x63 s PRO 16 Ca -0.03 0.78 -0.27 0.00 0.04 0.00 0.00 61.00 61.51 1x63 s PRO 16 Cb -0.00 -4.34 -0.09 0.00 0.04 0.00 0.00 34.50 30.11 1x63 s PRO 16 CO -0.05 -2.52 1.06 0.15 0.04 0.00 0.00 177.00 175.68 1x63 s LYS 17 N 6.69 4.44 0.69 4.56 -0.14 -1.26 0.05 119.74 134.77 1x63 s LYS 17 Ca 0.69 1.64 -0.10 0.00 -1.36 0.00 0.00 55.97 56.84 1x63 s LYS 17 Cb -0.14 -2.89 0.02 0.00 -1.68 0.00 0.00 37.83 33.13 1x63 s LYS 17 CO 0.24 0.07 1.06 0.00 -0.76 0.00 0.00 175.35 175.96 1x63 n LYS 19 N -2.93 0.59 0.16 0.00 3.00 -1.23 -3.43 118.16 114.31 1x63 n LYS 19 Ca 0.06 0.07 -0.14 0.00 -0.00 0.00 0.00 58.31 58.30 1x63 n LYS 19 Cb 0.58 -1.27 -0.08 0.00 0.00 0.00 0.00 35.03 34.25 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 1.17 -0.41 0.14 3.14 0.00 -1.93 -3.32 103.07 101.86 1x63 h GLY 20 Ca -0.30 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1x63 h GLY 20 CO -0.04 -0.15 -1.70 0.00 0.00 0.00 0.00 176.54 174.65 1x63 n PHE 22 N -2.17 -0.28 -4.05 0.00 3.72 -1.22 -5.01 117.46 108.44 1x63 n PHE 22 Ca -0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.03 1x63 n PHE 22 Cb 0.53 -2.26 -0.07 0.00 -0.94 0.00 0.00 39.48 36.74 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 -3.80 3.22 0.18 -1.08 1.02 -1.26 -4.68 119.74 113.34 1x63 s LYS 23 Ca 0.00 -0.33 -0.33 0.00 0.02 0.00 0.00 55.97 55.32 1x63 s LYS 23 Cb 0.00 -2.99 -0.13 0.00 -0.52 0.00 0.00 37.83 34.19 1x63 s LYS 23 CO 0.00 0.70 1.59 0.00 -0.92 0.00 0.00 175.35 176.72 1x63 n ALA 24 N 1.57 1.66 -2.70 5.17 0.00 -1.26 -1.17 120.51 123.78 1x63 n ALA 24 Ca -0.16 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 1x63 n ALA 24 Cb 0.54 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.52 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 0.85 4.13 0.55 0.00 1.01 0.11 -4.85 121.20 123.00 1x63 s ILE 25 Ca 0.77 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1x63 s ILE 25 Cb -0.64 -2.92 0.05 0.00 0.01 0.00 0.00 42.46 38.96 1x63 s ILE 25 CO 0.38 0.23 0.43 0.68 0.00 0.00 0.00 174.94 176.66 1x63 s VAL 26 N -1.23 1.64 -0.14 2.92 -7.23 -1.26 -3.19 120.40 111.91 1x63 s VAL 26 Ca 0.24 -1.46 -0.15 0.00 -1.81 0.00 0.00 61.98 58.79 1x63 s VAL 26 Cb -0.12 -2.10 -0.13 0.00 0.56 0.00 0.00 36.38 34.59 1x63 s VAL 26 CO 0.15 0.00 0.29 0.00 -0.31 0.00 0.00 175.10 175.23 1x63 h ALA 27 N 0.69 0.05 -1.11 1.32 0.00 -2.00 -3.35 119.26 114.85 1x63 h ALA 27 Ca -0.36 -0.46 0.31 0.00 0.00 0.00 0.00 54.91 54.40 1x63 h ALA 27 Cb 1.30 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.20 1x63 h ALA 27 CO 0.56 0.20 0.72 0.78 0.00 0.00 0.00 179.25 181.51 1x63 h GLY 28 N -1.00 1.15 -2.66 0.00 0.00 -2.05 -3.40 103.07 95.11 1x63 h GLY 28 Ca -0.06 -0.17 -0.49 0.00 0.00 0.00 0.00 47.33 46.61 1x63 h GLY 28 CO -0.04 -0.19 0.42 -0.35 0.00 0.00 0.00 176.54 176.39 1x63 s ASP 29 N -5.08 6.57 -0.16 0.19 2.15 -1.26 -4.98 116.67 114.10 1x63 s ASP 29 Ca -0.08 2.08 -0.29 0.00 0.43 0.00 0.00 52.55 54.68 1x63 s ASP 29 Cb 0.26 -2.59 -0.01 0.00 -0.30 0.00 0.00 42.92 40.28 1x63 s ASP 29 CO 0.80 -0.62 1.22 -1.10 -0.17 0.00 0.00 175.17 175.29 1x63 s GLN 30 N -2.64 4.25 0.30 4.34 -1.52 -1.26 -4.85 119.66 118.27 1x63 s GLN 30 Ca 0.60 1.61 -0.01 0.00 -1.95 0.00 0.00 55.36 55.61 1x63 s GLN 30 Cb -0.23 -3.72 -0.01 0.00 -0.22 0.00 0.00 33.01 28.83 1x63 s GLN 30 CO 0.28 -0.66 0.36 -0.80 -0.25 0.00 0.00 175.29 174.22 1x63 s ASN 31 N 1.78 0.83 -0.32 5.90 0.01 -1.26 -0.45 114.94 121.43 1x63 s ASN 31 Ca 0.53 -1.46 0.01 0.00 -0.71 0.00 0.00 52.86 51.23 1x63 s ASN 31 Cb -0.21 0.57 0.10 0.00 0.41 0.00 0.00 41.25 42.13 1x63 s ASN 31 CO 0.14 -1.13 0.08 -0.69 -1.51 0.00 0.00 177.10 173.98 1x63 s VAL 32 N -3.48 1.42 0.11 1.60 1.01 0.35 -4.46 120.40 116.94 1x63 s VAL 32 Ca 0.34 -1.76 -0.16 0.00 0.00 0.00 0.00 61.98 60.39 1x63 s VAL 32 Cb 0.02 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 1x63 s VAL 32 CO 0.19 -0.64 0.54 -0.70 0.00 0.00 0.00 175.10 174.49 1x63 s GLU 33 N 1.34 4.04 -0.24 2.72 2.12 -1.26 -1.14 118.70 126.29 1x63 s GLU 33 Ca 0.10 0.56 -0.03 0.00 0.36 0.00 0.00 54.97 55.96 1x63 s GLU 33 Cb -0.18 -3.05 0.10 0.00 0.26 0.00 0.00 34.13 31.26 1x63 s GLU 33 CO -0.19 0.55 0.19 -0.47 -0.54 0.00 0.00 175.26 174.80 1x63 s TYR 34 N -1.32 -0.08 -1.70 5.30 5.04 0.84 -4.90 117.35 120.53 1x63 s TYR 34 Ca 0.34 -0.25 -0.15 0.00 -2.44 0.00 0.00 57.07 54.57 1x63 s TYR 34 Cb -0.17 -0.58 0.14 0.00 0.35 0.00 0.00 41.96 41.70 1x63 s TYR 34 CO 0.19 -0.72 0.56 1.63 -1.34 0.00 0.00 175.55 175.87 1x63 n LYS 35 N 5.29 -2.09 0.00 4.97 5.02 -1.26 -2.17 118.16 127.93 1x63 n LYS 35 Ca -0.05 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1x63 n LYS 35 Cb 0.47 -4.68 0.00 0.00 -0.02 0.00 0.00 35.03 30.80 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 -1.55 2.23 3.33 0.72 0.00 -1.26 -5.08 105.19 103.57 1x63 n GLY 36 Ca -0.02 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 -3.64 2.61 -2.24 -0.92 -4.94 114.28 105.15 1x63 n THR 37 Ca 0.00 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.47 1x63 n THR 37 Cb 0.00 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.30 -0.10 -0.13 2.28 0.11 -1.26 -0.11 120.40 118.89 1x63 s VAL 38 Ca 0.55 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.62 1x63 s VAL 38 Cb -0.17 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.69 1x63 s VAL 38 CO 0.68 0.00 -0.22 0.26 -3.33 0.00 0.00 175.10 172.49 1x63 s TRP 39 N 1.76 2.60 0.24 1.54 0.51 -0.29 -3.54 118.94 121.76 1x63 s TRP 39 Ca -0.10 -1.28 -0.30 0.00 -2.12 0.00 0.00 56.10 52.31 1x63 s TRP 39 Cb -0.06 -1.77 -0.15 0.00 -0.81 0.00 0.00 33.47 30.68 1x63 s TRP 39 CO -0.20 -0.58 0.96 0.72 -0.51 0.00 0.00 176.95 177.34 1x63 n HIS 40 N 4.01 0.92 -0.31 -1.98 8.25 -1.26 -0.50 115.22 124.35 1x63 n HIS 40 Ca -0.20 0.76 0.32 0.00 -0.26 0.00 0.00 57.72 58.34 1x63 n HIS 40 Cb 0.52 -2.20 0.49 0.00 1.12 0.00 0.00 29.99 29.92 1x63 n HIS 40 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1x63 n LYS 41 N 1.06 0.01 -0.08 -0.41 4.81 0.41 0.23 118.16 124.19 1x63 n LYS 41 Ca 0.13 0.97 -0.14 0.00 -0.87 0.00 0.00 58.31 58.40 1x63 n LYS 41 Cb 0.28 -2.38 -0.14 0.00 0.02 0.00 0.00 35.03 32.81 1x63 n LYS 41 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1x63 n ASP 42 N -3.27 1.07 -0.10 3.14 5.68 -1.26 -3.32 116.55 118.48 1x63 n ASP 42 Ca 0.26 0.06 -0.12 0.00 -0.50 0.00 0.00 54.79 54.49 1x63 n ASP 42 Cb 1.55 0.11 -0.04 0.00 -1.14 0.00 0.00 41.12 41.60 1x63 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1x63 s PHE 44 N -4.71 1.22 0.24 0.00 5.36 0.82 -4.86 117.98 116.05 1x63 s PHE 44 Ca -0.13 0.12 0.01 0.00 -0.96 0.00 0.00 56.93 55.97 1x63 s PHE 44 Cb 0.08 -4.06 -0.05 0.00 -0.34 0.00 0.00 43.02 38.65 1x63 s PHE 44 CO 0.78 -4.70 0.08 0.95 -1.46 0.00 0.00 175.22 170.87 1x63 s THR 45 N 6.67 0.59 0.61 0.12 -4.23 -1.26 -1.48 115.64 116.66 1x63 s THR 45 Ca 0.95 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.40 1x63 s THR 45 Cb -0.37 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 70.94 1x63 s THR 45 CO 0.38 -0.08 0.92 0.00 -0.54 0.00 0.00 174.62 175.29 1x63 n SER 47 N -2.63 0.56 -0.04 0.00 7.64 -0.57 -3.38 113.62 115.21 1x63 n SER 47 Ca 0.05 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.91 1x63 n SER 47 Cb 0.58 1.62 -0.01 0.00 -1.01 0.00 0.00 64.21 65.39 1x63 n SER 47 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1x63 h ASN 48 N 0.00 0.00 0.93 6.43 -1.24 -1.96 -3.41 115.58 116.33 1x63 h ASN 48 Ca -0.14 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.68 1x63 h ASN 48 Cb 1.24 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.26 1x63 h ASN 48 CO 0.01 0.38 -1.15 0.00 -1.29 0.00 0.00 177.43 175.38 1x63 n LYS 50 N -3.11 -4.14 -4.35 0.00 4.76 -1.22 -4.98 118.16 105.12 1x63 n LYS 50 Ca -0.06 0.52 -0.33 0.00 -2.87 0.00 0.00 58.31 55.57 1x63 n LYS 50 Cb 0.88 -4.57 -0.16 0.00 -1.84 0.00 0.00 35.03 29.35 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 -4.92 3.12 -0.48 1.97 -0.21 -1.26 -4.69 119.66 113.19 1x63 s GLN 51 Ca 0.03 -0.78 -0.43 0.00 0.02 0.00 0.00 55.36 54.20 1x63 s GLN 51 Cb -0.01 -2.61 -0.18 0.00 1.00 0.00 0.00 33.01 31.20 1x63 s GLN 51 CO 0.45 -0.09 2.09 0.28 -2.12 0.00 0.00 175.29 175.90 1x63 n VAL 52 N 4.33 0.03 -0.04 1.09 0.31 -1.26 -3.32 118.33 119.47 1x63 n VAL 52 Ca -0.20 -0.03 -0.21 0.00 -0.01 0.00 0.00 64.34 63.88 1x63 n VAL 52 Cb 0.51 -0.66 -0.13 0.00 -0.91 0.00 0.00 33.84 32.65 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 6.80 0.89 -0.38 2.52 2.04 -1.51 -3.49 117.51 124.39 1x63 h ILE 53 Ca -0.16 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1x63 h ILE 53 Cb 1.40 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1x63 h ILE 53 CO 1.07 0.60 0.00 0.61 0.00 0.00 0.00 178.15 180.43 1x63 n GLY 54 N 1.69 0.89 0.34 5.37 0.00 -1.19 -2.13 105.19 110.15 1x63 n GLY 54 Ca -0.29 -0.74 0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.33 -1.02 2.61 -2.24 -1.26 -4.58 114.28 107.47 1x63 n THR 55 Ca 0.00 1.76 -0.34 0.00 -2.27 0.00 0.00 64.05 63.20 1x63 n THR 55 Cb 0.00 -2.87 0.02 0.00 -2.10 0.00 0.00 70.33 65.38 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 -1.32 -3.52 3.77 3.38 0.00 -0.91 -4.84 105.19 101.76 1x63 n GLY 56 Ca 0.35 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1x63 n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x63 s SER 57 N -0.90 6.34 0.35 1.61 1.04 -1.26 -5.01 113.70 115.87 1x63 s SER 57 Ca 0.44 2.42 0.01 0.00 0.48 0.00 0.00 55.95 59.30 1x63 s SER 57 Cb -0.31 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.18 1x63 s SER 57 CO 0.67 -0.81 0.42 0.72 0.98 0.00 0.00 173.24 175.22 1x63 s PHE 58 N -1.40 1.30 -0.22 5.02 -0.12 -1.26 -3.10 117.98 118.19 1x63 s PHE 58 Ca 0.59 -1.43 -0.03 0.00 -0.05 0.00 0.00 56.93 56.02 1x63 s PHE 58 Cb -0.32 -0.27 0.07 0.00 -0.63 0.00 0.00 43.02 41.87 1x63 s PHE 58 CO 0.40 -1.08 0.06 -0.06 -0.05 0.00 0.00 175.22 174.50 1x63 s PHE 59 N -3.10 1.00 -0.34 3.49 0.40 0.13 -4.67 117.98 114.89 1x63 s PHE 59 Ca 0.34 -0.97 -0.29 0.00 -0.60 0.00 0.00 56.93 55.41 1x63 s PHE 59 Cb 0.00 -1.11 -0.01 0.00 0.51 0.00 0.00 43.02 42.41 1x63 s PHE 59 CO 0.23 -0.67 1.69 -1.25 0.70 0.00 0.00 175.22 175.92 1x63 s PRO 60 N 1.86 3.42 -0.13 0.24 0.04 -1.26 -1.34 135.00 137.83 1x63 s PRO 60 Ca 0.02 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.40 1x63 s PRO 60 Cb -0.17 -4.15 -0.00 0.00 0.04 0.00 0.00 34.50 30.22 1x63 s PRO 60 CO -0.14 -1.75 -0.18 0.15 0.04 0.00 0.00 177.00 175.11 1x63 s LYS 61 N 5.42 3.17 0.00 4.56 -0.14 -0.98 -4.96 119.74 126.81 1x63 s LYS 61 Ca 0.75 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 54.57 1x63 s LYS 61 Cb -0.20 -2.50 0.00 0.00 -1.68 0.00 0.00 37.83 33.44 1x63 s LYS 61 CO 0.33 0.10 0.00 0.41 -0.76 0.00 0.00 175.35 175.43 1x63 n GLY 62 N 3.80 0.83 1.76 -3.33 0.00 -1.26 -0.19 105.19 106.79 1x63 n GLY 62 Ca -0.19 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 7.75 1.47 -3.91 1.61 4.07 -1.26 -4.81 120.64 125.57 1x63 n GLU 63 Ca 0.00 -0.67 -0.10 0.00 -0.06 0.00 0.00 57.16 56.33 1x63 n GLU 63 Cb 0.00 -1.42 -0.00 0.00 -0.06 0.00 0.00 31.44 29.96 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1x63 s ASP 64 N 1.57 0.26 -0.08 4.31 1.01 0.73 -5.16 116.67 119.31 1x63 s ASP 64 Ca 0.25 -1.21 0.00 0.00 0.71 0.00 0.00 52.55 52.31 1x63 s ASP 64 Cb 0.14 0.78 0.02 0.00 1.01 0.00 0.00 42.92 44.87 1x63 s ASP 64 CO -0.02 -1.53 -0.06 -0.36 0.21 0.00 0.00 175.17 173.42 1x63 s PHE 65 N -2.72 1.13 -0.26 4.23 0.08 -1.26 -2.33 117.98 116.85 1x63 s PHE 65 Ca 0.20 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.79 1x63 s PHE 65 Cb -0.04 -0.97 0.04 0.00 -0.57 0.00 0.00 43.02 41.48 1x63 s PHE 65 CO 0.14 -0.35 -0.05 0.71 -0.10 0.00 0.00 175.22 175.56 1x63 s TYR 66 N 1.36 3.14 0.62 0.36 1.51 -0.45 -1.51 117.35 122.38 1x63 s TYR 66 Ca -0.03 -1.75 -0.19 0.00 -1.01 0.00 0.00 57.07 54.09 1x63 s TYR 66 Cb -0.14 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1x63 s TYR 66 CO -0.03 -0.77 1.18 0.00 -1.11 0.00 0.00 175.55 174.81 1x63 n VAL 68 N -1.72 -0.02 -0.11 0.00 0.31 -1.18 -1.12 118.33 114.48 1x63 n VAL 68 Ca 0.14 1.01 -0.03 0.00 -0.01 0.00 0.00 64.34 65.45 1x63 n VAL 68 Cb 0.47 -1.34 -0.03 0.00 -0.91 0.00 0.00 33.84 32.04 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 -2.77 -0.18 -0.32 2.52 -1.04 -1.26 0.76 114.28 111.98 1x63 n THR 69 Ca 0.00 1.58 0.10 0.00 -2.04 0.00 0.00 64.05 63.69 1x63 n THR 69 Cb 0.01 -2.04 0.23 0.00 -1.82 0.00 0.00 70.33 66.70 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 0.04 0.18 -0.27 0.00 2.76 0.12 0.48 115.15 118.46 1x63 h HIS 71 Ca 0.52 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.59 1x63 h HIS 71 Cb 0.99 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1x63 h HIS 71 CO -0.51 0.52 -0.05 0.93 -1.30 0.00 0.00 177.93 177.52 1x63 h GLU 72 N 0.13 0.52 0.05 5.26 4.39 0.76 0.69 114.58 126.38 1x63 h GLU 72 Ca 0.01 -0.19 -0.25 0.00 0.34 0.00 0.00 59.36 59.27 1x63 h GLU 72 Cb 0.74 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1x63 h GLU 72 CO 0.06 0.72 -1.24 0.00 -1.16 0.00 0.00 179.01 177.38 1x63 h THR 73 N 0.28 1.45 0.22 1.13 1.03 -0.80 -2.73 112.91 113.49 1x63 h THR 73 Ca 0.07 -3.14 -0.01 0.00 -0.01 0.00 0.00 66.41 63.32 1x63 h THR 73 Cb 0.52 2.79 0.00 0.00 -1.07 0.00 0.00 68.15 70.40 1x63 h THR 73 CO 0.02 0.86 -0.11 0.50 -0.01 0.00 0.00 175.52 176.79 1x63 h LYS 74 N 0.03 -0.29 0.00 0.00 3.64 -0.03 -3.39 116.57 116.53 1x63 h LYS 74 Ca -0.12 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1x63 h LYS 74 Cb 1.89 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.78 1x63 h LYS 74 CO 0.14 -0.19 -0.02 0.74 -2.27 0.00 0.00 179.45 177.85 1x63 h PHE 75 N -0.62 0.00 -2.65 1.91 -1.00 -1.08 -3.48 116.94 110.02 1x63 h PHE 75 Ca -0.03 0.00 -0.44 0.00 2.81 0.00 0.00 57.97 60.31 1x63 h PHE 75 Cb 0.23 0.00 0.23 0.00 3.61 0.00 0.00 35.95 40.02 1x63 h PHE 75 CO 0.04 0.00 -0.60 0.00 -1.61 0.00 0.00 178.31 176.14 1x63 n ALA 76 N -2.21 -3.71 -1.33 2.45 0.00 -0.75 -4.80 120.51 110.16 1x63 n ALA 76 Ca -0.00 -1.30 -0.47 0.00 0.00 0.00 0.00 53.44 51.67 1x63 n ALA 76 Cb 0.01 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 1x63 n ALA 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x63 n SER 77 N -3.26 -1.04 0.00 0.00 7.64 -1.21 -4.24 113.62 111.51 1x63 n SER 77 Ca 0.01 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1x63 n SER 77 Cb 0.58 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1x63 n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x63 n GLY 78 N 1.83 1.58 0.00 0.23 0.00 -1.26 -4.12 105.19 103.45 1x63 n GLY 78 Ca 0.17 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.16 0.49 -1.10 1.61 -0.04 -1.26 -4.87 135.00 129.67 1x63 n PRO 79 Ca 0.00 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.00 1x63 n PRO 79 Cb 0.00 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 1x63 n PRO 79 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x63 n SER 80 N -0.85 0.73 -4.52 3.54 3.41 -1.26 -4.77 113.62 109.90 1x63 n SER 80 Ca 0.08 0.70 -0.42 0.00 -0.26 0.00 0.00 58.87 58.97 1x63 n SER 80 Cb 0.04 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.34 1x63 n SER 80 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x63 s SER 81 N 2.90 6.54 0.00 4.04 0.01 -1.26 -5.14 113.70 120.80 1x63 s SER 81 Ca 0.78 -1.67 0.02 0.00 1.31 0.00 0.00 55.95 56.39 1x63 s SER 81 Cb -1.06 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 62.69 1x63 s SER 81 CO 0.53 -1.34 0.56 0.61 0.41 0.00 0.00 173.24 174.02