#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x63 h SER 2 N 0.00 -0.26 0.00 1.61 0.02 -2.12 -3.38 113.55 109.42 1x63 h SER 2 Ca 0.00 -0.08 -0.43 0.00 -0.84 0.00 0.00 61.79 60.44 1x63 h SER 2 Cb 0.00 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.54 1x63 h SER 2 CO 0.00 -0.08 -2.46 -1.54 -1.14 0.00 0.00 176.83 171.60 1x63 n SER 3 N -5.17 1.91 -1.61 3.07 3.41 -1.26 -5.06 113.62 108.91 1x63 n SER 3 Ca -0.09 0.23 -0.02 0.00 -0.26 0.00 0.00 58.87 58.72 1x63 n SER 3 Cb 0.19 -0.70 0.01 0.00 -0.26 0.00 0.00 64.21 63.45 1x63 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x63 n GLY 4 N 1.55 0.59 3.04 5.00 0.00 -1.26 -5.08 105.19 109.02 1x63 n GLY 4 Ca -0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 1x63 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x63 s SER 5 N -3.08 -0.61 -0.07 1.61 1.04 -1.26 -4.92 113.70 106.41 1x63 s SER 5 Ca 0.04 0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.89 1x63 s SER 5 Cb -0.01 1.64 -0.03 0.00 0.10 0.00 0.00 66.02 67.73 1x63 s SER 5 CO 0.09 -0.29 -0.08 -0.94 0.98 0.00 0.00 173.24 173.00 1x63 s SER 6 N 2.70 4.58 -0.30 7.02 1.04 -1.26 -5.08 113.70 122.40 1x63 s SER 6 Ca 0.15 -0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.34 1x63 s SER 6 Cb -0.14 -1.19 0.17 0.00 0.10 0.00 0.00 66.02 64.96 1x63 s SER 6 CO -0.21 0.34 1.27 -0.83 0.98 0.00 0.00 173.24 174.79 1x63 s GLY 7 N -0.69 0.02 0.17 7.32 0.00 -1.26 -5.17 107.32 107.71 1x63 s GLY 7 Ca 0.10 3.28 0.04 0.00 0.00 0.00 0.00 44.72 48.15 1x63 s GLY 7 CO 0.02 3.93 0.20 -1.59 0.00 0.00 0.00 173.10 175.65 1x63 s LYS 8 N 2.86 3.09 -0.07 2.90 -2.85 -1.26 -5.12 119.74 119.29 1x63 s LYS 8 Ca -0.10 -0.80 -0.31 0.00 -1.00 0.00 0.00 55.97 53.76 1x63 s LYS 8 Cb -0.07 -2.75 0.12 0.00 -2.06 0.00 0.00 37.83 33.07 1x63 s LYS 8 CO -0.08 0.48 1.00 0.00 0.10 0.00 0.00 175.35 176.86 1x63 s THR 10 N -2.87 0.33 -0.08 0.00 -4.23 -1.26 -5.16 115.64 102.36 1x63 s THR 10 Ca 0.07 -0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 59.35 1x63 s THR 10 Cb -0.01 -0.42 0.07 0.00 1.34 0.00 0.00 72.50 73.48 1x63 s THR 10 CO -0.07 -0.40 0.68 0.28 -0.54 0.00 0.00 174.62 174.57 1x63 s THR 11 N -1.31 0.00 -0.73 3.99 -1.32 -1.26 -5.10 115.64 109.92 1x63 s THR 11 Ca -0.12 -0.01 -0.26 0.00 -1.21 0.00 0.00 61.69 60.10 1x63 s THR 11 Cb -0.09 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 1x63 s THR 11 CO -0.00 -0.01 1.94 -0.13 -2.21 0.00 0.00 174.62 174.21 1x63 s ARG 12 N -0.96 2.53 -0.80 7.08 3.00 -1.26 -4.90 118.95 123.64 1x63 s ARG 12 Ca -0.09 0.27 -0.07 0.00 0.00 0.00 0.00 55.73 55.84 1x63 s ARG 12 Cb -0.01 -4.69 0.21 0.00 0.00 0.00 0.00 34.95 30.46 1x63 s ARG 12 CO 0.09 -3.09 0.69 -1.21 0.00 0.00 0.00 175.30 171.78 1x63 s GLU 13 N 7.16 3.23 -0.37 3.54 0.41 -1.26 -4.88 118.70 126.53 1x63 s GLU 13 Ca 0.71 -2.75 0.06 0.00 -0.41 0.00 0.00 54.97 52.57 1x63 s GLU 13 Cb -0.10 -4.09 0.44 0.00 -1.78 0.00 0.00 34.13 28.60 1x63 s GLU 13 CO 0.12 -1.24 1.22 -3.47 -0.49 0.00 0.00 175.26 171.40 1x63 n ASP 14 N 3.30 5.04 -3.63 -0.19 2.03 -1.26 -5.02 116.55 116.81 1x63 n ASP 14 Ca 0.14 -3.74 -0.12 0.00 0.52 0.00 0.00 54.79 51.59 1x63 n ASP 14 Cb 0.41 -0.43 -0.05 0.00 -0.72 0.00 0.00 41.12 40.33 1x63 n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1x63 s SER 15 N -3.44 -0.29 -0.57 1.67 0.01 -1.26 -5.11 113.70 104.71 1x63 s SER 15 Ca 0.51 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 57.37 1x63 s SER 15 Cb 0.41 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 67.09 1x63 s SER 15 CO -0.05 -0.77 1.84 -2.16 0.41 0.00 0.00 173.24 172.50 1x63 s PRO 16 N -3.15 2.75 0.15 12.44 0.04 -1.25 -4.82 135.00 141.15 1x63 s PRO 16 Ca -0.01 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 1x63 s PRO 16 Cb 0.00 -4.35 -0.07 0.00 0.04 0.00 0.00 34.50 30.12 1x63 s PRO 16 CO -0.07 -2.58 1.12 0.15 0.04 0.00 0.00 177.00 175.66 1x63 s LYS 17 N 6.79 4.55 0.83 4.56 -0.14 -1.26 0.25 119.74 135.32 1x63 s LYS 17 Ca 0.69 1.73 -0.11 0.00 -1.36 0.00 0.00 55.97 56.91 1x63 s LYS 17 Cb -0.14 -3.30 0.09 0.00 -1.68 0.00 0.00 37.83 32.80 1x63 s LYS 17 CO 0.23 -0.01 1.09 0.00 -0.76 0.00 0.00 175.35 175.90 1x63 n LYS 19 N -3.64 1.38 0.16 0.00 0.00 -1.24 -3.47 118.16 111.35 1x63 n LYS 19 Ca 0.07 0.03 -0.13 0.00 0.00 0.00 0.00 58.31 58.28 1x63 n LYS 19 Cb 0.55 -1.25 -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 1.45 -0.44 0.00 3.14 0.00 -1.92 -3.33 103.07 101.97 1x63 h GLY 20 Ca -0.27 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1x63 h GLY 20 CO -0.01 -0.16 -1.37 0.00 0.00 0.00 0.00 176.54 175.00 1x63 n PHE 22 N -1.79 -0.86 -4.58 0.00 3.72 -1.23 -5.01 117.46 107.72 1x63 n PHE 22 Ca 0.01 0.13 -0.33 0.00 -0.05 0.00 0.00 57.45 57.20 1x63 n PHE 22 Cb 0.41 -3.00 -0.12 0.00 -0.94 0.00 0.00 39.48 35.83 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 -4.89 3.27 0.03 -1.08 1.02 -1.26 -4.72 119.74 112.10 1x63 s LYS 23 Ca 0.07 -0.57 -0.37 0.00 0.02 0.00 0.00 55.97 55.11 1x63 s LYS 23 Cb -0.03 -2.72 -0.17 0.00 -0.52 0.00 0.00 37.83 34.39 1x63 s LYS 23 CO 0.09 0.39 1.38 0.00 -0.92 0.00 0.00 175.35 176.29 1x63 n ALA 24 N 3.06 -1.05 -2.91 5.17 0.00 -1.26 -1.81 120.51 121.71 1x63 n ALA 24 Ca -0.18 0.51 -0.28 0.00 0.00 0.00 0.00 53.44 53.48 1x63 n ALA 24 Cb 0.53 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 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 0.89 5.22 0.53 0.00 1.01 0.14 -4.83 121.20 124.17 1x63 s ILE 25 Ca 0.87 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.93 1x63 s ILE 25 Cb -1.00 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 37.87 1x63 s ILE 25 CO 0.50 0.01 0.13 0.68 0.00 0.00 0.00 174.94 176.27 1x63 s VAL 26 N -1.62 1.24 -0.08 2.92 -7.23 -1.26 -3.78 120.40 110.58 1x63 s VAL 26 Ca 0.34 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1x63 s VAL 26 Cb -0.12 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 1x63 s VAL 26 CO 0.27 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 175.02 1x63 h ALA 27 N 1.12 0.00 -1.27 1.32 0.00 -2.00 -3.36 119.26 115.08 1x63 h ALA 27 Ca -0.42 -0.13 0.46 0.00 0.00 0.00 0.00 54.91 54.82 1x63 h ALA 27 Cb 1.32 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 19.07 1x63 h ALA 27 CO 0.68 0.11 0.79 0.78 0.00 0.00 0.00 179.25 181.61 1x63 h GLY 28 N -0.73 1.63 -2.16 0.00 0.00 -2.05 -3.39 103.07 96.35 1x63 h GLY 28 Ca 0.00 -0.11 -0.48 0.00 0.00 0.00 0.00 47.33 46.74 1x63 h GLY 28 CO 0.00 -0.57 0.40 -0.35 0.00 0.00 0.00 176.54 176.02 1x63 s ASP 29 N -4.37 6.26 -0.19 0.19 2.15 -1.26 -4.99 116.67 114.47 1x63 s ASP 29 Ca -0.08 2.00 -0.29 0.00 0.43 0.00 0.00 52.55 54.61 1x63 s ASP 29 Cb 0.32 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1x63 s ASP 29 CO 0.81 -0.84 1.03 -1.10 -0.17 0.00 0.00 175.17 174.90 1x63 s GLN 30 N -3.15 4.31 0.24 4.34 1.11 -1.26 -4.86 119.66 120.39 1x63 s GLN 30 Ca 0.67 1.37 -0.02 0.00 0.01 0.00 0.00 55.36 57.39 1x63 s GLN 30 Cb -0.19 -3.61 -0.03 0.00 -1.01 0.00 0.00 33.01 28.18 1x63 s GLN 30 CO 0.22 -0.52 0.25 -0.80 0.01 0.00 0.00 175.29 174.45 1x63 s ASN 31 N 1.17 0.37 -0.35 5.90 0.01 -1.26 -0.03 114.94 120.73 1x63 s ASN 31 Ca 0.45 -1.36 0.03 0.00 -0.71 0.00 0.00 52.86 51.27 1x63 s ASN 31 Cb -0.16 0.47 0.10 0.00 0.41 0.00 0.00 41.25 42.07 1x63 s ASN 31 CO 0.10 -0.96 0.09 -0.69 -1.51 0.00 0.00 177.10 174.13 1x63 s VAL 32 N -3.95 1.86 0.14 1.60 1.01 -0.01 -4.63 120.40 116.42 1x63 s VAL 32 Ca 0.35 -2.18 -0.17 0.00 0.00 0.00 0.00 61.98 59.98 1x63 s VAL 32 Cb 0.04 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.98 1x63 s VAL 32 CO 0.14 -0.66 0.59 -0.70 0.00 0.00 0.00 175.10 174.48 1x63 s GLU 33 N 0.96 4.11 -0.24 2.72 2.12 -1.26 -1.45 118.70 125.66 1x63 s GLU 33 Ca 0.12 0.65 -0.03 0.00 0.36 0.00 0.00 54.97 56.07 1x63 s GLU 33 Cb -0.19 -3.02 0.11 0.00 0.26 0.00 0.00 34.13 31.28 1x63 s GLU 33 CO -0.12 0.51 0.23 -0.47 -0.54 0.00 0.00 175.26 174.87 1x63 s TYR 34 N -1.36 -0.23 -1.67 5.30 5.04 0.06 -4.90 117.35 119.59 1x63 s TYR 34 Ca 0.36 -0.08 -0.15 0.00 -2.44 0.00 0.00 57.07 54.76 1x63 s TYR 34 Cb -0.17 -0.48 0.13 0.00 0.35 0.00 0.00 41.96 41.79 1x63 s TYR 34 CO 0.20 -0.73 0.65 1.63 -1.34 0.00 0.00 175.55 175.96 1x63 n LYS 35 N 5.31 -2.74 0.00 4.97 5.02 -1.26 -2.49 118.16 126.96 1x63 n LYS 35 Ca -0.05 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1x63 n LYS 35 Cb 0.47 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.62 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 -1.53 2.23 3.20 0.72 0.00 -1.26 -5.08 105.19 103.48 1x63 n GLY 36 Ca -0.01 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.04 -4.96 114.28 105.02 1x63 n THR 37 Ca 0.00 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.49 1x63 n THR 37 Cb 0.00 -0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.18 0.00 -0.13 2.28 0.11 -1.26 -0.76 120.40 118.47 1x63 s VAL 38 Ca 0.50 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.56 1x63 s VAL 38 Cb -0.08 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1x63 s VAL 38 CO 0.68 0.00 -0.17 0.26 -3.33 0.00 0.00 175.10 172.54 1x63 s TRP 39 N 1.23 2.20 0.31 1.54 0.51 -0.53 -3.59 118.94 120.61 1x63 s TRP 39 Ca -0.07 -1.11 -0.25 0.00 -2.12 0.00 0.00 56.10 52.55 1x63 s TRP 39 Cb -0.05 -1.56 -0.15 0.00 -0.81 0.00 0.00 33.47 30.90 1x63 s TRP 39 CO -0.14 -0.56 0.53 0.72 -0.51 0.00 0.00 176.95 176.99 1x63 n HIS 40 N 4.31 -0.50 0.03 -1.98 8.25 -1.26 -0.83 115.22 123.24 1x63 n HIS 40 Ca -0.19 0.76 0.18 0.00 -0.26 0.00 0.00 57.72 58.21 1x63 n HIS 40 Cb 0.51 -1.98 0.38 0.00 1.12 0.00 0.00 29.99 30.01 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 0.98 0.00 0.00 -0.41 3.64 -0.75 1.15 116.57 121.19 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 1.41 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.17 1x63 h LYS 41 CO 0.54 0.00 -2.35 -0.40 -2.27 0.00 0.00 179.45 174.97 1x63 n ASP 42 N -3.05 0.83 -0.08 4.20 5.68 -1.26 -3.35 116.55 119.52 1x63 n ASP 42 Ca 0.12 -0.04 -0.12 0.00 -0.50 0.00 0.00 54.79 54.25 1x63 n ASP 42 Cb 1.17 0.54 -0.05 0.00 -1.14 0.00 0.00 41.12 41.64 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 -4.49 2.10 -4.29 0.00 7.35 0.78 -4.86 117.46 114.06 1x63 n PHE 44 Ca -0.04 -0.03 -0.15 0.00 -0.76 0.00 0.00 57.45 56.47 1x63 n PHE 44 Cb 0.35 -2.67 -0.10 0.00 0.35 0.00 0.00 39.48 37.40 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 5.99 0.56 0.67 -2.13 -4.23 -1.26 -0.75 115.64 114.50 1x63 s THR 45 Ca 0.98 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 59.41 1x63 s THR 45 Cb -0.60 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 70.78 1x63 s THR 45 CO 0.45 -0.13 1.03 0.00 -0.54 0.00 0.00 174.62 175.43 1x63 n SER 47 N -2.88 0.88 -0.06 0.00 7.64 -0.65 -3.40 113.62 115.15 1x63 n SER 47 Ca 0.06 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.90 1x63 n SER 47 Cb 0.58 1.69 -0.01 0.00 -1.01 0.00 0.00 64.21 65.46 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 -2.20 1.38 0.09 6.43 5.15 -1.26 -4.59 115.26 120.26 1x63 n ASN 48 Ca -0.07 0.49 0.06 0.00 -0.60 0.00 0.00 54.58 54.46 1x63 n ASN 48 Cb 0.55 -0.76 -0.01 0.00 -0.53 0.00 0.00 39.78 39.03 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 -2.87 -4.11 -4.64 0.00 4.76 -1.22 -4.97 118.16 105.12 1x63 n LYS 50 Ca -0.03 0.66 -0.33 0.00 -2.87 0.00 0.00 58.31 55.75 1x63 n LYS 50 Cb 0.68 -5.04 -0.16 0.00 -1.84 0.00 0.00 35.03 28.67 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 -4.76 3.02 -0.45 1.97 -1.52 -1.26 -4.68 119.66 111.98 1x63 s GLN 51 Ca 0.11 -0.85 -0.43 0.00 -1.95 0.00 0.00 55.36 52.24 1x63 s GLN 51 Cb -0.01 -2.44 -0.17 0.00 -0.22 0.00 0.00 33.01 30.16 1x63 s GLN 51 CO 0.57 -0.02 2.03 0.28 -0.25 0.00 0.00 175.29 177.89 1x63 n VAL 52 N 4.10 0.06 -0.00 1.09 0.31 -1.26 -2.78 118.33 119.84 1x63 n VAL 52 Ca -0.20 -0.05 -0.22 0.00 -0.01 0.00 0.00 64.34 63.86 1x63 n VAL 52 Cb 0.51 -0.77 -0.14 0.00 -0.91 0.00 0.00 33.84 32.54 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 6.54 0.77 -0.23 2.52 2.04 -1.21 -3.48 117.51 124.46 1x63 h ILE 53 Ca -0.22 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.29 1x63 h ILE 53 Cb 1.39 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 1x63 h ILE 53 CO 1.05 0.78 0.00 0.61 0.00 0.00 0.00 178.15 180.59 1x63 n GLY 54 N 1.86 0.88 0.38 5.37 0.00 -1.17 -1.91 105.19 110.60 1x63 n GLY 54 Ca -0.30 -0.70 0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 0.03 -1.94 2.61 1.35 -1.82 -3.42 112.91 109.73 1x63 h THR 55 Ca 0.00 -0.01 -0.61 0.00 -0.55 0.00 0.00 66.41 65.24 1x63 h THR 55 Cb 0.00 -0.00 0.17 0.00 -1.73 0.00 0.00 68.15 66.59 1x63 h THR 55 CO 0.00 0.01 -1.00 0.61 -0.25 0.00 0.00 175.52 174.89 1x63 n GLY 56 N -1.37 -2.85 3.68 5.82 0.00 -0.80 -4.84 105.19 104.83 1x63 n GLY 56 Ca 0.38 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 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 2.27 1.33 -4.11 1.61 7.64 -1.26 -4.97 113.62 116.13 1x63 n SER 57 Ca 0.10 0.73 -0.10 0.00 1.01 0.00 0.00 58.87 60.60 1x63 n SER 57 Cb 0.44 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.05 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 -1.69 0.81 -0.29 1.43 -0.71 -1.26 -3.46 117.98 112.82 1x63 s PHE 58 Ca 0.78 -1.14 -0.02 0.00 -1.04 0.00 0.00 56.93 55.51 1x63 s PHE 58 Cb -0.35 -0.36 0.09 0.00 -1.21 0.00 0.00 43.02 41.19 1x63 s PHE 58 CO 0.46 -0.63 0.10 -0.06 -1.34 0.00 0.00 175.22 173.74 1x63 s PHE 59 N -4.06 1.17 -0.32 3.49 0.40 0.34 -4.80 117.98 114.20 1x63 s PHE 59 Ca 0.27 -1.33 -0.29 0.00 -0.60 0.00 0.00 56.93 54.98 1x63 s PHE 59 Cb 0.06 -1.35 -0.01 0.00 0.51 0.00 0.00 43.02 42.22 1x63 s PHE 59 CO 0.05 -0.82 1.68 -1.25 0.70 0.00 0.00 175.22 175.58 1x63 s PRO 60 N 1.81 3.49 -0.62 0.24 0.04 -1.26 0.26 135.00 138.95 1x63 s PRO 60 Ca 0.08 1.39 -0.19 0.00 0.04 0.00 0.00 61.00 62.32 1x63 s PRO 60 Cb -0.17 -4.13 0.11 0.00 0.04 0.00 0.00 34.50 30.35 1x63 s PRO 60 CO -0.26 -1.67 0.74 0.15 0.04 0.00 0.00 177.00 176.00 1x63 s LYS 61 N 5.30 3.10 0.53 4.56 3.01 -0.31 -4.85 119.74 131.08 1x63 s LYS 61 Ca 0.75 -1.36 0.00 0.00 -1.01 0.00 0.00 55.97 54.34 1x63 s LYS 61 Cb -0.21 -4.30 0.00 0.00 -1.01 0.00 0.00 37.83 32.30 1x63 s LYS 61 CO 0.33 -1.56 0.00 0.41 0.51 0.00 0.00 175.35 175.03 1x63 n GLY 62 N 5.24 0.58 0.00 -3.33 0.00 -1.26 -0.94 105.19 105.49 1x63 n GLY 62 Ca -0.07 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 1.50 -2.06 1.61 0.00 -1.26 -5.07 120.64 115.36 1x63 n GLU 63 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.96 1x63 n GLU 63 Cb 0.00 -0.90 0.11 0.00 0.00 0.00 0.00 31.44 30.65 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1x63 n ASP 64 N -1.27 0.89 -3.89 4.31 8.00 -0.11 -5.10 116.55 119.38 1x63 n ASP 64 Ca 0.00 -1.81 -0.27 0.00 0.71 0.00 0.00 54.79 53.42 1x63 n ASP 64 Cb 0.06 -0.58 -0.17 0.00 -0.02 0.00 0.00 41.12 40.41 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 -2.61 1.52 -0.22 1.24 0.08 -1.26 -1.16 117.98 115.56 1x63 s PHE 65 Ca 0.55 -0.85 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 1x63 s PHE 65 Cb -0.03 -1.24 -0.01 0.00 -0.57 0.00 0.00 43.02 41.18 1x63 s PHE 65 CO 0.37 -0.55 -0.04 0.71 -0.10 0.00 0.00 175.22 175.61 1x63 s TYR 66 N 1.70 2.97 0.92 0.36 1.51 0.14 -1.64 117.35 123.31 1x63 s TYR 66 Ca 0.03 -0.95 -0.10 0.00 -1.01 0.00 0.00 57.07 55.04 1x63 s TYR 66 Cb -0.14 -2.11 0.14 0.00 -0.11 0.00 0.00 41.96 39.74 1x63 s TYR 66 CO -0.08 -0.55 1.08 0.00 -1.11 0.00 0.00 175.55 174.89 1x63 n VAL 68 N -4.20 0.00 -0.05 0.00 0.31 -1.22 -0.92 118.33 112.24 1x63 n VAL 68 Ca 0.11 1.38 -0.01 0.00 -0.01 0.00 0.00 64.34 65.81 1x63 n VAL 68 Cb 0.52 -1.84 -0.01 0.00 -0.91 0.00 0.00 33.84 31.60 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 -2.87 -0.09 -0.33 2.52 -1.04 -1.26 0.97 114.28 112.18 1x63 n THR 69 Ca 0.00 1.56 0.22 0.00 -2.04 0.00 0.00 64.05 63.78 1x63 n THR 69 Cb 0.00 -2.05 0.41 0.00 -1.82 0.00 0.00 70.33 66.88 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 0.01 0.03 -0.31 0.00 2.76 0.16 0.24 115.15 118.05 1x63 h HIS 71 Ca 0.70 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.82 1x63 h HIS 71 Cb 1.65 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.59 1x63 h HIS 71 CO -0.29 0.70 0.04 0.93 -1.30 0.00 0.00 177.93 178.00 1x63 h GLU 72 N 0.01 0.53 0.15 5.26 5.08 1.00 0.51 114.58 127.12 1x63 h GLU 72 Ca -0.01 -0.15 -0.32 0.00 -1.00 0.00 0.00 59.36 57.88 1x63 h GLU 72 Cb 1.22 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1x63 h GLU 72 CO 0.09 0.63 -1.60 0.00 -1.00 0.00 0.00 179.01 177.14 1x63 h THR 73 N 0.34 1.09 0.36 1.13 1.03 -1.09 -2.61 112.91 113.17 1x63 h THR 73 Ca 0.09 -2.70 -0.02 0.00 -0.01 0.00 0.00 66.41 63.78 1x63 h THR 73 Cb 0.37 2.78 0.00 0.00 -1.07 0.00 0.00 68.15 70.24 1x63 h THR 73 CO 0.01 0.83 -0.17 0.50 -0.01 0.00 0.00 175.52 176.68 1x63 h LYS 74 N 0.09 -0.47 0.00 0.00 3.64 -0.54 -3.43 116.57 115.86 1x63 h LYS 74 Ca -0.28 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1x63 h LYS 74 Cb 2.06 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.98 1x63 h LYS 74 CO 0.18 -0.21 0.00 1.19 -2.27 0.00 0.00 179.45 178.34 1x63 n PHE 75 N -5.23 0.00 -0.70 1.91 3.01 0.03 -4.91 117.46 111.58 1x63 n PHE 75 Ca -0.10 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.07 1x63 n PHE 75 Cb 0.25 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 39.85 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 -2.33 -3.23 -3.78 4.37 0.00 -0.39 -2.51 120.51 112.65 1x63 n ALA 76 Ca 0.00 -1.20 -0.32 0.00 0.00 0.00 0.00 53.44 51.92 1x63 n ALA 76 Cb 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.32 -1.38 -4.30 0.00 2.88 -1.16 -4.21 113.62 105.13 1x63 n SER 77 Ca 0.01 -0.92 -0.35 0.00 -1.33 0.00 0.00 58.87 56.28 1x63 n SER 77 Cb 0.55 -1.20 -0.14 0.00 -0.75 0.00 0.00 64.21 62.67 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 -2.68 1.60 1.14 0.46 0.00 -1.04 -4.92 107.32 101.87 1x63 s GLY 78 Ca 0.63 -1.17 -0.17 0.00 0.00 0.00 0.00 44.72 44.00 1x63 s GLY 78 CO 0.77 0.42 1.10 2.56 0.00 0.00 0.00 173.10 177.95 1x63 s PRO 79 N 1.47 -0.72 0.14 2.90 0.04 -1.26 -5.06 135.00 132.50 1x63 s PRO 79 Ca 0.06 0.12 0.03 0.00 0.04 0.00 0.00 61.00 61.25 1x63 s PRO 79 Cb -0.14 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1x63 s PRO 79 CO -0.04 -3.42 0.19 0.45 0.04 0.00 0.00 177.00 174.23 1x63 s SER 80 N -3.74 5.91 -0.46 6.66 0.15 -1.26 -5.09 113.70 115.87 1x63 s SER 80 Ca 0.69 0.03 -0.01 0.00 0.70 0.00 0.00 55.95 57.36 1x63 s SER 80 Cb -0.13 -1.67 0.12 0.00 -1.71 0.00 0.00 66.02 62.63 1x63 s SER 80 CO 0.57 0.08 0.25 -0.55 1.20 0.00 0.00 173.24 174.78 1x63 s SER 81 N -3.04 5.08 0.00 5.45 0.15 -1.26 -5.35 113.70 114.74 1x63 s SER 81 Ca 0.32 -2.36 0.00 0.00 0.70 0.00 0.00 55.95 54.61 1x63 s SER 81 Cb -0.11 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 1x63 s SER 81 CO 0.26 -0.44 0.01 0.61 1.20 0.00 0.00 173.24 174.88