#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 5.80 0.29 1.61 0.01 -1.26 -5.11 113.70 115.05 1x63 s SER 2 Ca 0.00 -0.03 -0.17 0.00 1.31 0.00 0.00 55.95 57.06 1x63 s SER 2 Cb 0.00 -1.60 -0.09 0.00 0.21 0.00 0.00 66.02 64.54 1x63 s SER 2 CO 0.00 0.06 0.74 -0.44 0.41 0.00 0.00 173.24 174.01 1x63 s SER 3 N -3.17 6.88 0.56 2.44 0.01 -1.26 -5.09 113.70 114.07 1x63 s SER 3 Ca 0.32 1.34 0.08 0.00 1.31 0.00 0.00 55.95 59.01 1x63 s SER 3 Cb -0.10 -2.40 0.06 0.00 0.21 0.00 0.00 66.02 63.80 1x63 s SER 3 CO 0.25 -0.12 0.62 -0.83 0.41 0.00 0.00 173.24 173.57 1x63 s GLY 4 N -2.05 2.00 0.22 3.44 0.00 -1.26 -5.14 107.32 104.54 1x63 s GLY 4 Ca 0.50 -1.77 0.08 0.00 0.00 0.00 0.00 44.72 43.53 1x63 s GLY 4 CO 0.19 -1.79 0.02 -0.45 0.00 0.00 0.00 173.10 171.07 1x63 s SER 5 N -4.49 4.75 -0.11 1.64 0.15 -1.26 -5.07 113.70 109.31 1x63 s SER 5 Ca 0.50 -0.48 -0.02 0.00 0.70 0.00 0.00 55.95 56.65 1x63 s SER 5 Cb -0.04 -0.98 -0.01 0.00 -1.71 0.00 0.00 66.02 63.27 1x63 s SER 5 CO 0.31 0.04 -0.05 -1.28 1.20 0.00 0.00 173.24 173.47 1x63 h SER 6 N 2.26 0.00 -3.49 5.45 0.87 -2.03 -3.45 113.55 113.15 1x63 h SER 6 Ca -0.46 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.57 1x63 h SER 6 Cb 1.22 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 1x63 h SER 6 CO 0.59 0.54 0.38 -0.83 -0.53 0.00 0.00 176.83 176.98 1x63 s GLY 7 N -3.66 2.94 -0.24 5.77 0.00 -1.26 -4.95 107.32 105.92 1x63 s GLY 7 Ca -0.04 0.58 -0.04 0.00 0.00 0.00 0.00 44.72 45.22 1x63 s GLY 7 CO 0.06 1.58 -0.12 0.58 0.00 0.00 0.00 173.10 175.20 1x63 n LYS 8 N 3.26 0.65 -1.54 2.90 2.85 -1.26 -4.97 118.16 120.04 1x63 n LYS 8 Ca 0.04 0.22 -0.41 0.00 -1.05 0.00 0.00 58.31 57.11 1x63 n LYS 8 Cb 0.50 -1.56 0.01 0.00 -0.65 0.00 0.00 35.03 33.33 1x63 n LYS 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x63 s THR 10 N -1.36 0.03 0.98 0.00 2.01 -1.26 -5.15 115.64 110.90 1x63 s THR 10 Ca 0.64 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.21 1x63 s THR 10 Cb -0.58 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 1x63 s THR 10 CO 0.57 -0.15 -0.19 0.35 -0.69 0.00 0.00 174.62 174.51 1x63 n THR 11 N 2.45 0.00 -0.91 -0.82 -2.24 -1.26 -4.85 114.28 106.64 1x63 n THR 11 Ca -0.16 -0.32 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 1x63 n THR 11 Cb 0.58 -0.34 0.07 0.00 -2.10 0.00 0.00 70.33 68.55 1x63 n THR 11 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1x63 n ARG 12 N 0.21 -0.21 -3.65 -0.78 0.63 -1.26 -5.02 116.66 106.58 1x63 n ARG 12 Ca 0.02 -0.05 -0.02 0.00 -0.92 0.00 0.00 57.85 56.89 1x63 n ARG 12 Cb 0.56 -1.32 -0.06 0.00 0.45 0.00 0.00 32.46 32.08 1x63 n ARG 12 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1x63 s GLU 13 N -2.63 0.33 -0.67 -0.14 -1.05 -1.26 -5.05 118.70 108.23 1x63 s GLU 13 Ca 0.46 0.55 -0.01 0.00 -0.15 0.00 0.00 54.97 55.82 1x63 s GLU 13 Cb -0.15 0.07 0.43 0.00 -0.44 0.00 0.00 34.13 34.03 1x63 s GLU 13 CO 0.75 -0.07 1.93 -0.25 0.95 0.00 0.00 175.26 178.58 1x63 n ASP 14 N 3.50 7.34 -3.60 0.83 9.92 -1.26 -4.92 116.55 128.36 1x63 n ASP 14 Ca -0.18 -3.80 -0.12 0.00 -0.53 0.00 0.00 54.79 50.16 1x63 n ASP 14 Cb 0.57 -0.93 -0.06 0.00 -0.64 0.00 0.00 41.12 40.06 1x63 n ASP 14 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1x63 s SER 15 N -1.87 -0.54 -0.62 -2.24 0.15 -1.26 -5.11 113.70 102.21 1x63 s SER 15 Ca 0.60 0.88 -0.26 0.00 0.70 0.00 0.00 55.95 57.87 1x63 s SER 15 Cb 0.48 0.84 -0.02 0.00 -1.71 0.00 0.00 66.02 65.61 1x63 s SER 15 CO -0.10 -0.29 1.87 -2.16 1.20 0.00 0.00 173.24 173.75 1x63 s PRO 16 N -0.27 2.62 0.38 5.44 0.04 -1.23 -4.81 135.00 137.17 1x63 s PRO 16 Ca -0.01 0.59 -0.26 0.00 0.04 0.00 0.00 61.00 61.36 1x63 s PRO 16 Cb -0.03 -4.41 -0.09 0.00 0.04 0.00 0.00 34.50 30.01 1x63 s PRO 16 CO 0.00 -2.76 1.15 0.15 0.04 0.00 0.00 177.00 175.58 1x63 s LYS 17 N 7.06 4.15 0.68 4.56 -0.14 -1.26 0.22 119.74 135.00 1x63 s LYS 17 Ca 0.67 1.80 -0.08 0.00 -1.36 0.00 0.00 55.97 57.00 1x63 s LYS 17 Cb -0.12 -2.73 0.03 0.00 -1.68 0.00 0.00 37.83 33.33 1x63 s LYS 17 CO 0.20 -0.23 1.02 0.00 -0.76 0.00 0.00 175.35 175.58 1x63 n LYS 19 N -2.87 0.60 0.21 0.00 3.00 -1.24 -3.61 118.16 114.24 1x63 n LYS 19 Ca 0.06 0.05 -0.15 0.00 -0.00 0.00 0.00 58.31 58.27 1x63 n LYS 19 Cb 0.59 -1.19 -0.08 0.00 0.00 0.00 0.00 35.03 34.34 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 0.84 -0.54 0.00 3.14 0.00 -1.93 -3.32 103.07 101.26 1x63 h GLY 20 Ca -0.21 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1x63 h GLY 20 CO -0.03 -0.20 -1.88 0.00 0.00 0.00 0.00 176.54 174.44 1x63 n PHE 22 N -2.17 -0.75 -4.78 0.00 3.72 -1.24 -5.03 117.46 107.22 1x63 n PHE 22 Ca -0.03 0.17 -0.33 0.00 -0.05 0.00 0.00 57.45 57.21 1x63 n PHE 22 Cb 0.54 -2.50 -0.14 0.00 -0.94 0.00 0.00 39.48 36.44 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 -4.88 3.19 -0.00 -1.08 1.02 -1.26 -4.73 119.74 112.00 1x63 s LYS 23 Ca 0.10 -0.67 -0.38 0.00 0.02 0.00 0.00 55.97 55.03 1x63 s LYS 23 Cb -0.04 -2.59 -0.17 0.00 -0.52 0.00 0.00 37.83 34.50 1x63 s LYS 23 CO 0.12 0.32 1.34 0.00 -0.92 0.00 0.00 175.35 176.21 1x63 n ALA 24 N 3.21 -1.51 -2.86 5.17 0.00 -1.26 -2.22 120.51 121.04 1x63 n ALA 24 Ca -0.18 0.52 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 1x63 n ALA 24 Cb 0.53 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 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 0.84 5.15 0.54 0.00 1.01 0.13 -4.84 121.20 124.03 1x63 s ILE 25 Ca 0.88 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 61.23 1x63 s ILE 25 Cb -1.06 -3.43 0.04 0.00 0.01 0.00 0.00 42.46 38.02 1x63 s ILE 25 CO 0.53 0.26 0.42 0.68 0.00 0.00 0.00 174.94 176.82 1x63 s VAL 26 N -1.35 1.67 -0.09 2.92 -7.23 -1.26 -3.52 120.40 111.54 1x63 s VAL 26 Ca 0.29 -1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1x63 s VAL 26 Cb -0.13 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 1x63 s VAL 26 CO 0.21 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.96 1x63 h ALA 27 N 0.73 0.00 -1.13 1.32 0.00 -1.99 -3.36 119.26 114.83 1x63 h ALA 27 Ca -0.37 -0.12 0.42 0.00 0.00 0.00 0.00 54.91 54.84 1x63 h ALA 27 Cb 1.30 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 19.05 1x63 h ALA 27 CO 0.57 0.11 0.67 0.78 0.00 0.00 0.00 179.25 181.37 1x63 h GLY 28 N -0.81 1.90 -2.93 0.00 0.00 -2.05 -3.39 103.07 95.78 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 -0.62 0.48 -0.35 0.00 0.00 0.00 176.54 176.05 1x63 s ASP 29 N -4.54 6.48 -0.25 0.19 -1.08 -1.26 -4.97 116.67 111.24 1x63 s ASP 29 Ca -0.09 2.26 -0.29 0.00 -0.52 0.00 0.00 52.55 53.91 1x63 s ASP 29 Cb 0.32 -2.60 -0.00 0.00 -1.46 0.00 0.00 42.92 39.17 1x63 s ASP 29 CO 0.80 -0.70 1.26 -1.10 0.52 0.00 0.00 175.17 175.95 1x63 s GLN 30 N -2.45 4.06 0.24 4.34 1.11 -1.26 -4.85 119.66 120.84 1x63 s GLN 30 Ca 0.59 1.40 0.00 0.00 0.01 0.00 0.00 55.36 57.36 1x63 s GLN 30 Cb -0.28 -3.81 -0.03 0.00 -1.01 0.00 0.00 33.01 27.87 1x63 s GLN 30 CO 0.35 -0.93 0.19 -0.80 0.01 0.00 0.00 175.29 174.12 1x63 s ASN 31 N 2.33 0.53 -0.37 5.90 0.01 -1.26 0.28 114.94 122.35 1x63 s ASN 31 Ca 0.54 -1.46 0.03 0.00 -0.71 0.00 0.00 52.86 51.26 1x63 s ASN 31 Cb -0.18 0.44 0.11 0.00 0.41 0.00 0.00 41.25 42.03 1x63 s ASN 31 CO 0.18 -0.92 0.11 -0.69 -1.51 0.00 0.00 177.10 174.27 1x63 s VAL 32 N -3.95 1.99 0.38 1.60 1.01 0.03 -4.74 120.40 116.73 1x63 s VAL 32 Ca 0.38 -2.35 -0.12 0.00 0.00 0.00 0.00 61.98 59.90 1x63 s VAL 32 Cb 0.05 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.90 1x63 s VAL 32 CO 0.16 -0.67 0.77 -0.70 0.00 0.00 0.00 175.10 174.65 1x63 s GLU 33 N 0.79 3.85 -0.28 2.72 2.12 -1.26 -1.28 118.70 125.36 1x63 s GLU 33 Ca 0.12 0.54 0.00 0.00 0.36 0.00 0.00 54.97 56.00 1x63 s GLU 33 Cb -0.20 -2.39 0.16 0.00 0.26 0.00 0.00 34.13 31.96 1x63 s GLU 33 CO -0.09 0.01 0.46 -0.47 -0.54 0.00 0.00 175.26 174.63 1x63 s TYR 34 N -2.27 -1.20 -1.80 5.30 6.14 0.12 -4.93 117.35 118.72 1x63 s TYR 34 Ca 0.52 0.88 -0.20 0.00 0.64 0.00 0.00 57.07 58.91 1x63 s TYR 34 Cb -0.10 0.11 0.19 0.00 0.42 0.00 0.00 41.96 42.58 1x63 s TYR 34 CO 0.27 -0.89 0.58 1.63 0.64 0.00 0.00 175.55 177.78 1x63 n LYS 35 N 5.38 -1.35 0.00 4.97 5.02 -1.26 -2.00 118.16 128.92 1x63 n LYS 35 Ca -0.00 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1x63 n LYS 35 Cb 0.51 -4.69 0.00 0.00 -0.02 0.00 0.00 35.03 30.83 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 -1.31 2.26 3.34 0.72 0.00 -1.26 -5.08 105.19 103.86 1x63 n GLY 36 Ca 0.05 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.85 -4.94 114.28 105.22 1x63 n THR 37 Ca 0.00 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.45 1x63 n THR 37 Cb 0.00 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.57 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 -2.31 0.00 -0.15 2.28 0.11 -1.26 0.13 120.40 119.19 1x63 s VAL 38 Ca 0.56 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.62 1x63 s VAL 38 Cb -0.17 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.70 1x63 s VAL 38 CO 0.67 0.00 -0.19 0.26 -3.33 0.00 0.00 175.10 172.51 1x63 s TRP 39 N 1.17 2.54 0.21 1.54 0.51 -0.41 -3.71 118.94 120.79 1x63 s TRP 39 Ca -0.06 -1.37 -0.30 0.00 -2.12 0.00 0.00 56.10 52.25 1x63 s TRP 39 Cb -0.05 -1.76 -0.16 0.00 -0.81 0.00 0.00 33.47 30.69 1x63 s TRP 39 CO -0.13 -0.66 0.83 0.72 -0.51 0.00 0.00 176.95 177.20 1x63 n HIS 40 N 4.35 0.46 -0.01 -1.98 8.25 -1.26 -0.79 115.22 124.24 1x63 n HIS 40 Ca -0.20 0.84 0.19 0.00 -0.26 0.00 0.00 57.72 58.30 1x63 n HIS 40 Cb 0.51 -2.12 0.39 0.00 1.12 0.00 0.00 29.99 29.89 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 1.88 0.00 0.00 -0.41 3.64 -0.47 1.54 116.57 122.76 1x63 h LYS 41 Ca -0.36 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 58.65 1x63 h LYS 41 Cb 1.39 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.14 1x63 h LYS 41 CO 0.61 0.00 -2.33 -0.25 -2.27 0.00 0.00 179.45 175.21 1x63 n ASP 42 N -3.09 0.37 -0.03 4.20 8.00 -1.26 -3.19 116.55 121.54 1x63 n ASP 42 Ca 0.14 0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.53 1x63 n ASP 42 Cb 1.23 0.69 -0.09 0.00 -0.02 0.00 0.00 41.12 42.93 1x63 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x63 n PHE 44 N -4.69 1.97 -4.38 0.00 7.35 0.50 -4.89 117.46 113.32 1x63 n PHE 44 Ca -0.07 0.13 -0.19 0.00 -0.76 0.00 0.00 57.45 56.55 1x63 n PHE 44 Cb 0.32 -2.61 -0.10 0.00 0.35 0.00 0.00 39.48 37.44 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 5.97 0.93 0.73 -2.13 -4.23 -1.26 -1.34 115.64 114.30 1x63 s THR 45 Ca 1.01 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 1x63 s THR 45 Cb -0.73 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 70.50 1x63 s THR 45 CO 0.49 -0.07 1.11 0.00 -0.54 0.00 0.00 174.62 175.62 1x63 n SER 47 N -3.08 0.04 0.00 0.00 3.41 0.35 -3.46 113.62 110.87 1x63 n SER 47 Ca 0.07 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1x63 n SER 47 Cb 0.58 1.64 0.00 0.00 -0.26 0.00 0.00 64.21 66.17 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 -2.42 0.00 0.21 4.04 5.15 -1.26 -4.58 115.26 116.39 1x63 n ASN 48 Ca -0.12 0.17 0.11 0.00 -0.60 0.00 0.00 54.58 54.13 1x63 n ASN 48 Cb 0.75 -0.47 0.24 0.00 -0.53 0.00 0.00 39.78 39.77 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 -3.15 -5.65 -4.62 0.00 4.76 -1.23 -4.96 118.16 103.31 1x63 n LYS 50 Ca 0.03 0.68 -0.34 0.00 -2.87 0.00 0.00 58.31 55.81 1x63 n LYS 50 Cb 0.53 -5.21 -0.11 0.00 -1.84 0.00 0.00 35.03 28.40 1x63 n LYS 50 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1x63 s GLN 51 N -5.38 2.82 -0.25 1.97 -2.07 -1.26 -4.62 119.66 110.87 1x63 s GLN 51 Ca 0.14 -0.55 -0.30 0.00 -1.82 0.00 0.00 55.36 52.83 1x63 s GLN 51 Cb -0.06 -2.61 -0.07 0.00 -1.09 0.00 0.00 33.01 29.18 1x63 s GLN 51 CO 0.59 0.62 2.21 0.28 -1.32 0.00 0.00 175.29 177.67 1x63 n VAL 52 N 2.34 0.30 -0.03 3.63 0.31 -1.26 -1.46 118.33 122.17 1x63 n VAL 52 Ca -0.18 -0.40 -0.22 0.00 -0.01 0.00 0.00 64.34 63.53 1x63 n VAL 52 Cb 0.53 -2.30 -0.13 0.00 -0.91 0.00 0.00 33.84 31.02 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 7.11 0.77 0.00 2.52 2.04 -1.47 -3.48 117.51 125.00 1x63 h ILE 53 Ca -0.37 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.19 1x63 h ILE 53 Cb 1.26 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 1x63 h ILE 53 CO 0.98 0.68 0.00 0.61 0.00 0.00 0.00 178.15 180.42 1x63 n GLY 54 N 1.78 2.23 0.27 5.37 0.00 -1.16 -2.33 105.19 111.35 1x63 n GLY 54 Ca -0.31 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.36 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 0.52 -1.41 2.61 1.35 -1.85 -3.43 112.91 110.69 1x63 h THR 55 Ca 0.00 -0.09 -0.42 0.00 -0.55 0.00 0.00 66.41 65.35 1x63 h THR 55 Cb 0.00 0.22 0.13 0.00 -1.73 0.00 0.00 68.15 66.77 1x63 h THR 55 CO 0.00 0.05 -0.87 0.61 -0.25 0.00 0.00 175.52 175.06 1x63 n GLY 56 N -1.35 -2.37 3.72 5.82 0.00 -0.98 -4.80 105.19 105.23 1x63 n GLY 56 Ca 0.14 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1x63 n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x63 n SER 57 N 1.84 2.11 -3.90 1.61 7.64 -1.26 -4.99 113.62 116.67 1x63 n SER 57 Ca 0.05 0.86 -0.11 0.00 1.01 0.00 0.00 58.87 60.68 1x63 n SER 57 Cb 0.34 -1.55 -0.07 0.00 -1.01 0.00 0.00 64.21 61.92 1x63 n SER 57 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1x63 s PHE 58 N -1.37 0.81 -0.33 1.43 -0.71 -1.26 -3.56 117.98 112.99 1x63 s PHE 58 Ca 0.80 -1.08 -0.01 0.00 -1.04 0.00 0.00 56.93 55.59 1x63 s PHE 58 Cb -0.39 -0.14 0.11 0.00 -1.21 0.00 0.00 43.02 41.39 1x63 s PHE 58 CO 0.43 -0.90 0.14 -0.06 -1.34 0.00 0.00 175.22 173.49 1x63 s PHE 59 N -3.86 1.27 -0.59 3.49 0.40 0.32 -4.82 117.98 114.18 1x63 s PHE 59 Ca 0.30 -1.62 -0.27 0.00 -0.60 0.00 0.00 56.93 54.75 1x63 s PHE 59 Cb 0.02 -1.43 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 1x63 s PHE 59 CO 0.13 -0.85 1.85 -1.25 0.70 0.00 0.00 175.22 175.80 1x63 s PRO 60 N 1.46 2.67 0.45 0.24 0.04 -1.26 0.00 135.00 138.61 1x63 s PRO 60 Ca 0.12 0.65 -0.03 0.00 0.04 0.00 0.00 61.00 61.78 1x63 s PRO 60 Cb -0.19 -4.37 -0.03 0.00 0.04 0.00 0.00 34.50 29.95 1x63 s PRO 60 CO -0.20 -2.67 0.72 0.21 0.04 0.00 0.00 177.00 175.09 1x63 s LYS 61 N 6.94 3.44 -0.83 4.56 2.47 0.12 -4.90 119.74 131.55 1x63 s LYS 61 Ca 0.68 -0.02 -0.35 0.00 -1.56 0.00 0.00 55.97 54.72 1x63 s LYS 61 Cb -0.13 -2.46 -0.21 0.00 -1.46 0.00 0.00 37.83 33.57 1x63 s LYS 61 CO 0.21 -0.15 2.49 0.41 0.16 0.00 0.00 175.35 178.47 1x63 n GLY 62 N -2.14 -0.37 3.57 5.54 0.00 -1.26 0.14 105.19 110.66 1x63 n GLY 62 Ca -0.01 1.13 -0.22 0.00 0.00 0.00 0.00 46.02 46.93 1x63 n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x63 n GLU 63 N 8.07 -7.35 -3.73 1.61 4.71 -1.26 -4.97 120.64 117.73 1x63 n GLU 63 Ca 0.62 0.82 -0.01 0.00 -0.01 0.00 0.00 57.16 58.58 1x63 n GLU 63 Cb 0.01 -5.84 -0.00 0.00 -1.01 0.00 0.00 31.44 24.59 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 -3.68 -0.09 -0.22 1.62 1.01 0.37 -5.15 116.67 110.53 1x63 s ASP 64 Ca 0.39 -0.31 -0.04 0.00 0.71 0.00 0.00 52.55 53.30 1x63 s ASP 64 Cb -0.17 0.33 0.09 0.00 1.01 0.00 0.00 42.92 44.17 1x63 s ASP 64 CO 0.74 -0.61 0.17 -0.36 0.21 0.00 0.00 175.17 175.31 1x63 s PHE 65 N -2.70 -0.01 -0.19 4.23 0.40 -1.26 0.15 117.98 118.60 1x63 s PHE 65 Ca 0.15 -0.26 -0.10 0.00 -0.60 0.00 0.00 56.93 56.12 1x63 s PHE 65 Cb 0.01 -0.61 -0.05 0.00 0.51 0.00 0.00 43.02 42.89 1x63 s PHE 65 CO -0.00 -0.67 0.14 0.71 0.70 0.00 0.00 175.22 176.10 1x63 s TYR 66 N 2.22 3.43 0.57 0.36 1.51 0.10 -0.50 117.35 125.04 1x63 s TYR 66 Ca 0.06 0.37 -0.17 0.00 -1.01 0.00 0.00 57.07 56.32 1x63 s TYR 66 Cb -0.16 -2.15 -0.05 0.00 -0.11 0.00 0.00 41.96 39.50 1x63 s TYR 66 CO -0.19 0.33 1.07 0.00 -1.11 0.00 0.00 175.55 175.65 1x63 n VAL 68 N -1.72 -0.16 -0.03 0.00 0.31 -1.23 -0.66 118.33 114.84 1x63 n VAL 68 Ca 0.10 1.22 -0.02 0.00 -0.01 0.00 0.00 64.34 65.63 1x63 n VAL 68 Cb 0.52 -1.57 -0.01 0.00 -0.91 0.00 0.00 33.84 31.87 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 -0.99 2.52 2.02 -1.92 0.86 112.91 115.40 1x63 h THR 69 Ca 0.04 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.42 1x63 h THR 69 Cb 0.09 0.00 -0.19 0.00 -1.74 0.00 0.00 68.15 66.32 1x63 h THR 69 CO -0.22 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.45 1x63 h HIS 71 N 0.00 0.22 -0.31 0.00 2.76 0.56 0.41 115.15 118.79 1x63 h HIS 71 Ca 0.49 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.54 1x63 h HIS 71 Cb 0.77 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 1x63 h HIS 71 CO -0.75 0.48 -0.11 0.93 -1.30 0.00 0.00 177.93 177.19 1x63 h GLU 72 N 0.17 0.61 0.15 5.26 4.39 0.94 0.35 114.58 126.45 1x63 h GLU 72 Ca 0.02 -0.25 -0.29 0.00 0.34 0.00 0.00 59.36 59.19 1x63 h GLU 72 Cb 0.62 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1x63 h GLU 72 CO 0.05 0.82 -1.30 0.00 -1.16 0.00 0.00 179.01 177.42 1x63 h THR 73 N 0.38 1.44 0.32 1.13 1.03 -0.56 -2.70 112.91 113.96 1x63 h THR 73 Ca 0.07 -2.99 -0.02 0.00 -0.01 0.00 0.00 66.41 63.46 1x63 h THR 73 Cb 0.61 2.95 0.00 0.00 -1.07 0.00 0.00 68.15 70.65 1x63 h THR 73 CO 0.04 0.88 -0.15 0.50 -0.01 0.00 0.00 175.52 176.77 1x63 h LYS 74 N 0.08 -0.42 0.00 0.00 3.64 -0.19 -3.38 116.57 116.30 1x63 h LYS 74 Ca -0.16 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1x63 h LYS 74 Cb 2.01 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 1x63 h LYS 74 CO 0.21 -0.25 0.00 1.19 -2.27 0.00 0.00 179.45 178.34 1x63 n PHE 75 N -5.06 0.00 -0.46 1.91 3.01 0.10 -4.97 117.46 111.99 1x63 n PHE 75 Ca -0.06 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.22 1x63 n PHE 75 Cb 0.18 -0.14 0.17 0.00 -0.01 0.00 0.00 39.48 39.68 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 -1.79 -0.99 -1.58 4.37 0.00 -0.21 -4.77 120.51 115.54 1x63 n ALA 76 Ca 0.00 -1.14 -0.49 0.00 0.00 0.00 0.00 53.44 51.81 1x63 n ALA 76 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.04 1.45 -3.73 0.00 2.88 -1.13 -4.32 113.62 106.72 1x63 n SER 77 Ca 0.08 1.14 -0.13 0.00 -1.33 0.00 0.00 58.87 58.63 1x63 n SER 77 Cb 0.36 -1.22 -0.13 0.00 -0.75 0.00 0.00 64.21 62.46 1x63 n SER 77 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x63 s GLY 78 N 0.09 -0.11 0.30 0.46 0.00 -1.26 -4.06 107.32 102.74 1x63 s GLY 78 Ca 0.75 0.91 0.08 0.00 0.00 0.00 0.00 44.72 46.46 1x63 s GLY 78 CO 0.51 1.18 1.69 -0.56 0.00 0.00 0.00 173.10 175.92 1x63 h PRO 79 N 7.21 0.14 -4.60 2.90 0.13 -1.94 -3.40 132.00 132.44 1x63 h PRO 79 Ca -0.41 -0.07 -0.71 0.00 -0.87 0.00 0.00 66.00 63.94 1x63 h PRO 79 Cb 1.15 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.04 1x63 h PRO 79 CO 0.39 0.59 -0.51 0.45 -0.23 0.00 0.00 178.00 178.69 1x63 s SER 80 N -6.89 5.75 0.08 1.44 0.15 -1.26 -5.07 113.70 107.90 1x63 s SER 80 Ca -0.03 -0.94 0.07 0.00 0.70 0.00 0.00 55.95 55.75 1x63 s SER 80 Cb 0.13 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 1x63 s SER 80 CO 0.76 -0.37 -0.20 -0.55 1.20 0.00 0.00 173.24 174.08 1x63 s SER 81 N 1.57 2.41 0.00 5.45 0.15 -1.26 -4.95 113.70 117.07 1x63 s SER 81 Ca 0.03 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1x63 s SER 81 Cb -0.19 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1x63 s SER 81 CO 0.07 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.20