#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 0.08 -2.93 1.61 0.87 -2.14 -3.42 113.55 107.62 1x63 h SER 2 Ca 0.00 0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.45 1x63 h SER 2 Cb 0.00 0.06 -0.30 0.00 -0.44 0.00 0.00 62.40 61.72 1x63 h SER 2 CO 0.00 0.08 -0.44 -0.94 -0.53 0.00 0.00 176.83 174.99 1x63 s SER 3 N -5.34 -0.05 -0.29 6.23 1.04 -1.26 -5.13 113.70 108.89 1x63 s SER 3 Ca -0.13 0.73 -0.17 0.00 0.48 0.00 0.00 55.95 56.86 1x63 s SER 3 Cb 0.13 0.82 -0.02 0.00 0.10 0.00 0.00 66.02 67.05 1x63 s SER 3 CO 0.72 -0.22 0.47 -0.83 0.98 0.00 0.00 173.24 174.36 1x63 s GLY 4 N 2.08 1.85 -0.18 7.32 0.00 -1.26 -5.05 107.32 112.08 1x63 s GLY 4 Ca -0.03 -0.81 -0.19 0.00 0.00 0.00 0.00 44.72 43.68 1x63 s GLY 4 CO -0.10 1.17 0.56 -0.45 0.00 0.00 0.00 173.10 174.28 1x63 s SER 5 N 1.65 6.64 -0.07 1.64 0.15 -1.26 -5.06 113.70 117.38 1x63 s SER 5 Ca 0.18 0.77 -0.04 0.00 0.70 0.00 0.00 55.95 57.56 1x63 s SER 5 Cb -0.16 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 1x63 s SER 5 CO 0.11 -0.18 0.10 -0.94 1.20 0.00 0.00 173.24 173.53 1x63 s SER 6 N 1.08 5.99 -0.48 5.45 1.04 -1.26 -5.07 113.70 120.45 1x63 s SER 6 Ca 0.26 0.32 0.03 0.00 0.48 0.00 0.00 55.95 57.04 1x63 s SER 6 Cb -0.16 -1.84 0.14 0.00 0.10 0.00 0.00 66.02 64.26 1x63 s SER 6 CO 0.10 0.36 0.28 -0.83 0.98 0.00 0.00 173.24 174.13 1x63 s GLY 7 N -1.26 1.92 -0.02 7.32 0.00 -1.26 -5.09 107.32 108.93 1x63 s GLY 7 Ca 0.18 -2.84 0.08 0.00 0.00 0.00 0.00 44.72 42.13 1x63 s GLY 7 CO 0.08 1.43 -0.26 1.25 0.00 0.00 0.00 173.10 175.60 1x63 s LYS 8 N 0.02 2.10 0.38 2.90 2.20 -1.26 -5.14 119.74 120.95 1x63 s LYS 8 Ca 0.19 -0.94 0.04 0.00 -0.36 0.00 0.00 55.97 54.91 1x63 s LYS 8 Cb -0.20 -2.05 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 1x63 s LYS 8 CO -0.03 0.56 0.15 0.00 -0.36 0.00 0.00 175.35 175.67 1x63 s THR 10 N -3.29 4.29 -0.39 0.00 2.01 -1.26 -4.99 115.64 112.01 1x63 s THR 10 Ca 0.27 0.90 0.02 0.00 0.31 0.00 0.00 61.69 63.19 1x63 s THR 10 Cb 0.03 -4.56 0.11 0.00 0.01 0.00 0.00 72.50 68.09 1x63 s THR 10 CO 0.16 -1.02 0.12 -0.89 -0.69 0.00 0.00 174.62 172.31 1x63 s THR 11 N 4.24 2.57 -0.29 -0.82 2.01 -1.26 -5.05 115.64 117.05 1x63 s THR 11 Ca 0.41 -2.46 -0.16 0.00 0.31 0.00 0.00 61.69 59.80 1x63 s THR 11 Cb -0.09 -2.84 0.12 0.00 0.01 0.00 0.00 72.50 69.70 1x63 s THR 11 CO 0.28 -0.66 0.83 -0.60 -0.69 0.00 0.00 174.62 173.78 1x63 s ARG 12 N 0.74 0.54 -0.35 4.92 3.52 -1.26 -5.11 118.95 121.94 1x63 s ARG 12 Ca 0.12 0.96 -0.27 0.00 -0.13 0.00 0.00 55.73 56.41 1x63 s ARG 12 Cb -0.21 0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.29 1x63 s ARG 12 CO -0.06 -0.12 2.22 -1.21 -0.81 0.00 0.00 175.30 175.32 1x63 s GLU 13 N 1.61 2.75 -1.20 5.12 8.01 -1.26 -4.89 118.70 128.83 1x63 s GLU 13 Ca -0.09 1.65 -0.12 0.00 0.01 0.00 0.00 54.97 56.42 1x63 s GLU 13 Cb -0.05 -4.43 0.20 0.00 -4.31 0.00 0.00 34.13 25.54 1x63 s GLU 13 CO -0.18 -2.54 1.48 -0.25 0.01 0.00 0.00 175.26 173.78 1x63 n ASP 14 N 13.13 5.32 -3.74 -0.19 8.00 -1.26 -4.94 116.55 132.87 1x63 n ASP 14 Ca 0.31 -3.04 -0.14 0.00 0.71 0.00 0.00 54.79 52.63 1x63 n ASP 14 Cb 0.49 -1.51 -0.09 0.00 -0.02 0.00 0.00 41.12 40.00 1x63 n ASP 14 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1x63 s SER 15 N 1.93 -0.27 -0.49 -2.24 0.01 -1.26 -5.11 113.70 106.27 1x63 s SER 15 Ca 0.40 0.27 -0.27 0.00 1.31 0.00 0.00 55.95 57.65 1x63 s SER 15 Cb -0.01 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.62 1x63 s SER 15 CO -0.00 -0.39 1.79 -2.16 0.41 0.00 0.00 173.24 172.88 1x63 s PRO 16 N -1.00 2.99 0.35 12.44 0.04 -1.24 -4.81 135.00 143.77 1x63 s PRO 16 Ca -0.11 0.94 -0.26 0.00 0.04 0.00 0.00 61.00 61.61 1x63 s PRO 16 Cb -0.04 -4.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.12 1x63 s PRO 16 CO 0.04 -2.29 1.02 0.15 0.04 0.00 0.00 177.00 175.96 1x63 s LYS 17 N 6.31 4.41 0.69 4.56 -0.14 -1.26 0.62 119.74 134.92 1x63 s LYS 17 Ca 0.71 1.51 -0.11 0.00 -1.36 0.00 0.00 55.97 56.72 1x63 s LYS 17 Cb -0.16 -2.77 0.01 0.00 -1.68 0.00 0.00 37.83 33.23 1x63 s LYS 17 CO 0.27 0.08 1.08 0.00 -0.76 0.00 0.00 175.35 176.01 1x63 n LYS 19 N -2.95 1.34 0.16 0.00 3.00 -1.09 -3.52 118.16 115.09 1x63 n LYS 19 Ca 0.07 0.03 -0.07 0.00 -0.00 0.00 0.00 58.31 58.33 1x63 n LYS 19 Cb 0.57 -1.34 -0.03 0.00 0.00 0.00 0.00 35.03 34.22 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 2.20 -0.49 0.84 3.14 0.00 -1.93 -3.35 103.07 103.48 1x63 h GLY 20 Ca -0.37 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1x63 h GLY 20 CO -0.01 -0.18 -0.76 0.00 0.00 0.00 0.00 176.54 175.60 1x63 n PHE 22 N -1.84 -0.97 -4.51 0.00 3.72 -1.23 -5.00 117.46 107.64 1x63 n PHE 22 Ca 0.03 0.10 -0.34 0.00 -0.05 0.00 0.00 57.45 57.20 1x63 n PHE 22 Cb 0.40 -3.45 -0.11 0.00 -0.94 0.00 0.00 39.48 35.38 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 -4.98 3.11 0.13 -1.08 1.02 -1.26 -4.69 119.74 111.99 1x63 s LYS 23 Ca 0.06 -0.51 -0.35 0.00 0.02 0.00 0.00 55.97 55.19 1x63 s LYS 23 Cb -0.03 -2.74 -0.16 0.00 -0.52 0.00 0.00 37.83 34.39 1x63 s LYS 23 CO 0.07 0.53 1.30 0.00 -0.92 0.00 0.00 175.35 176.33 1x63 n ALA 24 N 2.66 -0.60 -2.73 5.17 0.00 -1.26 -1.73 120.51 122.01 1x63 n ALA 24 Ca -0.18 0.49 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 1x63 n ALA 24 Cb 0.53 -2.09 -0.08 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 0.24 4.43 0.48 0.00 1.01 0.20 -4.84 121.20 122.72 1x63 s ILE 25 Ca 0.79 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.95 1x63 s ILE 25 Cb -0.88 -3.02 0.06 0.00 0.01 0.00 0.00 42.46 38.64 1x63 s ILE 25 CO 0.48 0.33 0.51 1.33 0.00 0.00 0.00 174.94 177.60 1x63 n VAL 26 N 1.19 0.00 -0.04 2.92 0.24 -1.26 -3.59 118.33 117.80 1x63 n VAL 26 Ca -0.13 -1.76 -0.02 0.00 -2.04 0.00 0.00 64.34 60.39 1x63 n VAL 26 Cb 0.53 -0.33 -0.01 0.00 -1.47 0.00 0.00 33.84 32.56 1x63 n VAL 26 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x63 h ALA 27 N 0.44 0.00 -1.39 2.33 0.00 -2.00 -3.36 119.26 115.27 1x63 h ALA 27 Ca -0.27 -0.24 0.47 0.00 0.00 0.00 0.00 54.91 54.87 1x63 h ALA 27 Cb 1.07 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 1x63 h ALA 27 CO 0.40 0.18 0.92 0.41 0.00 0.00 0.00 179.25 181.16 1x63 n GLY 28 N 1.75 -0.82 3.79 0.00 0.00 -1.26 -4.40 105.19 104.25 1x63 n GLY 28 Ca -0.03 0.71 -0.31 0.00 0.00 0.00 0.00 46.02 46.39 1x63 n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x63 s ASP 29 N -4.22 5.01 -0.50 1.61 2.15 -1.26 -4.99 116.67 114.47 1x63 s ASP 29 Ca -0.07 1.74 -0.20 0.00 0.43 0.00 0.00 52.55 54.46 1x63 s ASP 29 Cb 0.29 -2.51 0.05 0.00 -0.30 0.00 0.00 42.92 40.45 1x63 s ASP 29 CO 0.79 -1.69 0.68 -1.10 -0.17 0.00 0.00 175.17 173.67 1x63 s GLN 30 N -4.86 3.18 0.45 4.34 1.11 -1.26 -4.92 119.66 117.69 1x63 s GLN 30 Ca 0.60 -0.71 0.03 0.00 0.01 0.00 0.00 55.36 55.29 1x63 s GLN 30 Cb -0.16 -4.07 -0.03 0.00 -1.01 0.00 0.00 33.01 27.75 1x63 s GLN 30 CO 0.53 -1.23 0.06 0.54 0.01 0.00 0.00 175.29 175.20 1x63 s ASN 31 N 2.60 3.45 -0.29 5.90 2.20 -1.26 0.60 114.94 128.14 1x63 s ASN 31 Ca 0.19 -1.63 -0.01 0.00 -0.94 0.00 0.00 52.86 50.47 1x63 s ASN 31 Cb -0.17 0.41 0.09 0.00 -2.00 0.00 0.00 41.25 39.58 1x63 s ASN 31 CO 0.14 -0.84 0.09 -0.69 -2.94 0.00 0.00 177.10 172.86 1x63 s VAL 32 N -3.03 0.77 -0.11 3.54 1.01 0.41 -4.67 120.40 118.32 1x63 s VAL 32 Ca 0.17 -1.25 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 1x63 s VAL 32 Cb 0.03 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1x63 s VAL 32 CO 0.10 -0.62 0.37 -0.70 0.00 0.00 0.00 175.10 174.25 1x63 s GLU 33 N 1.68 4.17 -0.18 2.72 2.12 -1.26 -0.52 118.70 127.42 1x63 s GLU 33 Ca 0.08 0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.64 1x63 s GLU 33 Cb -0.17 -3.37 0.08 0.00 0.26 0.00 0.00 34.13 30.93 1x63 s GLU 33 CO -0.24 0.35 0.18 -0.47 -0.54 0.00 0.00 175.26 174.54 1x63 s TYR 34 N 0.08 -0.15 -1.46 5.30 6.14 0.23 -4.88 117.35 122.61 1x63 s TYR 34 Ca 0.21 0.17 -0.11 0.00 0.64 0.00 0.00 57.07 57.98 1x63 s TYR 34 Cb -0.14 -0.42 0.06 0.00 0.42 0.00 0.00 41.96 41.87 1x63 s TYR 34 CO 0.08 -0.53 1.03 1.63 0.64 0.00 0.00 175.55 178.40 1x63 n LYS 35 N 5.31 -6.25 0.00 4.97 5.02 -1.26 -3.36 118.16 122.59 1x63 n LYS 35 Ca -0.06 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1x63 n LYS 35 Cb 0.49 -5.60 0.00 0.00 -0.02 0.00 0.00 35.03 29.91 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 -1.77 2.10 3.26 0.72 0.00 -1.26 -5.04 105.19 103.20 1x63 n GLY 36 Ca -0.00 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 -3.74 2.61 -1.04 -1.21 -4.92 114.28 105.97 1x63 n THR 37 Ca 0.00 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.05 61.59 1x63 n THR 37 Cb 0.00 -0.39 -0.12 0.00 -1.82 0.00 0.00 70.33 68.00 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 -2.25 -0.01 -0.14 12.58 0.11 -1.26 -0.60 120.40 128.83 1x63 s VAL 38 Ca 0.51 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.63 1x63 s VAL 38 Cb -0.19 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 1x63 s VAL 38 CO 0.73 0.02 -0.21 0.26 -3.33 0.00 0.00 175.10 172.57 1x63 s TRP 39 N 0.66 2.62 0.43 1.54 0.51 0.32 -2.69 118.94 122.33 1x63 s TRP 39 Ca -0.04 -1.34 -0.22 0.00 -2.12 0.00 0.00 56.10 52.37 1x63 s TRP 39 Cb -0.05 -1.79 -0.12 0.00 -0.81 0.00 0.00 33.47 30.70 1x63 s TRP 39 CO -0.04 -0.62 0.63 0.72 -0.51 0.00 0.00 176.95 177.12 1x63 n HIS 40 N 4.15 -0.20 0.10 -1.98 8.25 -1.26 -0.45 115.22 123.83 1x63 n HIS 40 Ca -0.20 0.58 0.16 0.00 -0.26 0.00 0.00 57.72 58.00 1x63 n HIS 40 Cb 0.51 -2.03 0.43 0.00 1.12 0.00 0.00 29.99 30.02 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 0.88 0.00 0.00 -0.41 3.64 -0.12 1.19 116.57 121.74 1x63 h LYS 41 Ca -0.41 0.00 -0.30 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 33.15 1x63 h LYS 41 CO 0.52 0.00 -2.25 -0.25 -2.27 0.00 0.00 179.45 175.20 1x63 n ASP 42 N -3.04 0.32 -0.05 4.20 8.00 -1.26 -2.92 116.55 121.81 1x63 n ASP 42 Ca 0.09 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.45 1x63 n ASP 42 Cb 1.00 1.10 -0.08 0.00 -0.02 0.00 0.00 41.12 43.12 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 -4.52 2.03 -4.43 0.00 7.35 0.36 -4.87 117.46 113.39 1x63 n PHE 44 Ca -0.07 -0.11 -0.21 0.00 -0.76 0.00 0.00 57.45 56.31 1x63 n PHE 44 Cb 0.41 -2.71 -0.10 0.00 0.35 0.00 0.00 39.48 37.42 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 7.22 1.37 0.74 -2.13 -4.23 -1.26 -0.41 115.64 116.93 1x63 s THR 45 Ca 1.00 -2.05 -0.12 0.00 -1.18 0.00 0.00 61.69 59.34 1x63 s THR 45 Cb -0.45 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 70.83 1x63 s THR 45 CO 0.40 -0.17 1.11 0.00 -0.54 0.00 0.00 174.62 175.41 1x63 n SER 47 N -3.12 0.10 -0.01 0.00 3.41 -0.76 -3.42 113.62 109.81 1x63 n SER 47 Ca 0.07 0.04 -0.01 0.00 -0.26 0.00 0.00 58.87 58.71 1x63 n SER 47 Cb 0.58 1.60 -0.00 0.00 -0.26 0.00 0.00 64.21 66.12 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 0.15 0.22 4.04 5.15 -1.26 -4.61 115.26 116.53 1x63 n ASN 48 Ca -0.10 0.14 0.13 0.00 -0.60 0.00 0.00 54.58 54.14 1x63 n ASN 48 Cb 0.71 -0.52 0.24 0.00 -0.53 0.00 0.00 39.78 39.68 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 -3.02 -6.53 -4.47 0.00 4.76 -1.22 -4.95 118.16 102.73 1x63 n LYS 50 Ca 0.04 0.82 -0.34 0.00 -2.87 0.00 0.00 58.31 55.96 1x63 n LYS 50 Cb 0.50 -5.79 -0.14 0.00 -1.84 0.00 0.00 35.03 27.75 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 -5.51 3.39 -0.46 1.97 -2.07 -1.26 -4.62 119.66 111.10 1x63 s GLN 51 Ca 0.05 -0.66 -0.42 0.00 -1.82 0.00 0.00 55.36 52.51 1x63 s GLN 51 Cb -0.02 -2.76 -0.17 0.00 -1.09 0.00 0.00 33.01 28.97 1x63 s GLN 51 CO 0.74 0.08 2.13 0.28 -1.32 0.00 0.00 175.29 177.21 1x63 n VAL 52 N 3.93 0.05 0.01 3.63 0.31 -1.26 -2.70 118.33 122.29 1x63 n VAL 52 Ca -0.18 -0.06 -0.22 0.00 -0.01 0.00 0.00 64.34 63.87 1x63 n VAL 52 Cb 0.52 -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 6.95 0.92 -0.10 2.52 2.04 -0.98 -3.48 117.51 125.38 1x63 h ILE 53 Ca -0.15 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.32 1x63 h ILE 53 Cb 1.39 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 40.11 1x63 h ILE 53 CO 1.07 0.74 0.00 0.61 0.00 0.00 0.00 178.15 180.57 1x63 n GLY 54 N 1.79 0.98 0.34 5.37 0.00 -1.12 -2.35 105.19 110.21 1x63 n GLY 54 Ca -0.27 -0.63 0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 0.41 -1.64 2.61 1.35 -1.83 -3.43 112.91 110.38 1x63 h THR 55 Ca 0.00 -0.15 -0.48 0.00 -0.55 0.00 0.00 66.41 65.23 1x63 h THR 55 Cb 0.00 -0.07 0.17 0.00 -1.73 0.00 0.00 68.15 66.52 1x63 h THR 55 CO 0.00 0.08 -1.21 0.61 -0.25 0.00 0.00 175.52 174.75 1x63 n GLY 56 N -1.31 -3.17 3.75 5.82 0.00 -0.99 -4.83 105.19 104.46 1x63 n GLY 56 Ca 0.29 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.82 5.14 0.26 1.61 0.01 -1.26 -5.00 113.70 113.63 1x63 s SER 57 Ca 0.41 2.45 -0.02 0.00 1.31 0.00 0.00 55.95 60.10 1x63 s SER 57 Cb -0.30 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.31 1x63 s SER 57 CO 0.60 -1.63 0.29 0.72 0.41 0.00 0.00 173.24 173.63 1x63 s PHE 58 N -1.54 1.11 -0.36 2.43 -0.71 -1.26 -3.33 117.98 114.32 1x63 s PHE 58 Ca 0.77 -1.30 -0.00 0.00 -1.04 0.00 0.00 56.93 55.37 1x63 s PHE 58 Cb -0.32 -0.36 0.12 0.00 -1.21 0.00 0.00 43.02 41.25 1x63 s PHE 58 CO 0.35 -0.84 0.17 -0.06 -1.34 0.00 0.00 175.22 173.50 1x63 s PHE 59 N -3.79 1.39 -0.23 3.49 0.40 0.40 -4.81 117.98 114.84 1x63 s PHE 59 Ca 0.35 -1.82 -0.29 0.00 -0.60 0.00 0.00 56.93 54.57 1x63 s PHE 59 Cb 0.03 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 1x63 s PHE 59 CO 0.16 -0.83 1.62 -1.25 0.70 0.00 0.00 175.22 175.62 1x63 s PRO 60 N 1.16 3.78 -0.42 0.24 0.04 -1.26 -0.33 135.00 138.21 1x63 s PRO 60 Ca 0.14 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 1x63 s PRO 60 Cb -0.21 -4.04 0.10 0.00 0.04 0.00 0.00 34.50 30.40 1x63 s PRO 60 CO -0.13 -1.31 0.23 0.15 0.04 0.00 0.00 177.00 175.98 1x63 s LYS 61 N 4.71 2.25 1.06 4.56 3.01 0.16 -4.93 119.74 130.56 1x63 s LYS 61 Ca 0.71 -1.70 0.00 0.00 -1.01 0.00 0.00 55.97 53.97 1x63 s LYS 61 Cb -0.25 -3.67 0.00 0.00 -1.01 0.00 0.00 37.83 32.91 1x63 s LYS 61 CO 0.29 -1.05 0.00 0.41 0.51 0.00 0.00 175.35 175.52 1x63 n GLY 62 N 4.72 0.93 0.00 -3.33 0.00 -1.26 -1.48 105.19 104.77 1x63 n GLY 62 Ca -0.06 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 1.41 -2.56 1.61 0.00 -1.26 -5.07 120.64 114.76 1x63 n GLU 63 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.93 1x63 n GLU 63 Cb 0.00 -0.88 0.08 0.00 0.00 0.00 0.00 31.44 30.63 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1x63 s ASP 64 N -1.54 4.74 -0.21 4.31 1.11 -0.55 -5.10 116.67 119.43 1x63 s ASP 64 Ca 0.00 -0.15 -0.03 0.00 0.18 0.00 0.00 52.55 52.56 1x63 s ASP 64 Cb 0.00 -0.45 0.07 0.00 1.07 0.00 0.00 42.92 43.61 1x63 s ASP 64 CO 0.00 -1.57 0.05 -0.36 1.18 0.00 0.00 175.17 174.47 1x63 s PHE 65 N -3.01 1.05 -0.24 4.23 0.08 -1.26 -0.67 117.98 118.15 1x63 s PHE 65 Ca 0.62 -0.95 -0.15 0.00 0.12 0.00 0.00 56.93 56.57 1x63 s PHE 65 Cb -0.08 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 1x63 s PHE 65 CO 0.42 -0.65 0.37 0.71 -0.10 0.00 0.00 175.22 175.97 1x63 s TYR 66 N 1.85 3.30 0.79 0.36 1.51 0.55 -1.83 117.35 123.86 1x63 s TYR 66 Ca 0.01 0.48 -0.13 0.00 -1.01 0.00 0.00 57.07 56.42 1x63 s TYR 66 Cb -0.17 -2.54 0.07 0.00 -0.11 0.00 0.00 41.96 39.21 1x63 s TYR 66 CO -0.12 -0.14 1.16 0.00 -1.11 0.00 0.00 175.55 175.35 1x63 n VAL 68 N -3.29 0.00 -0.06 0.00 0.31 -1.21 -0.56 118.33 113.51 1x63 n VAL 68 Ca 0.12 1.21 -0.02 0.00 -0.01 0.00 0.00 64.34 65.65 1x63 n VAL 68 Cb 0.51 -1.65 -0.01 0.00 -0.91 0.00 0.00 33.84 31.78 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 -2.47 -0.10 -0.30 2.52 -1.04 -1.26 0.87 114.28 112.51 1x63 n THR 69 Ca 0.00 1.36 0.06 0.00 -2.04 0.00 0.00 64.05 63.43 1x63 n THR 69 Cb 0.00 -1.78 0.16 0.00 -1.82 0.00 0.00 70.33 66.89 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 0.03 0.00 -0.16 0.00 2.76 0.23 0.62 115.15 118.64 1x63 h HIS 71 Ca 0.45 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.42 1x63 h HIS 71 Cb 0.78 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.74 1x63 h HIS 71 CO -0.56 0.28 -0.71 0.93 -1.30 0.00 0.00 177.93 176.57 1x63 h GLU 72 N 0.00 0.68 0.00 5.26 4.39 0.79 0.86 114.58 126.55 1x63 h GLU 72 Ca -0.00 -0.52 -0.05 0.00 0.34 0.00 0.00 59.36 59.13 1x63 h GLU 72 Cb 0.50 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1x63 h GLU 72 CO 0.04 1.14 -0.95 0.00 -1.16 0.00 0.00 179.01 178.07 1x63 h THR 73 N 0.48 0.20 0.00 1.13 1.03 -0.40 -3.07 112.91 112.28 1x63 h THR 73 Ca -0.03 -1.36 -0.04 0.00 -0.01 0.00 0.00 66.41 64.97 1x63 h THR 73 Cb 1.31 1.78 -0.01 0.00 -1.07 0.00 0.00 68.15 70.16 1x63 h THR 73 CO 0.14 0.11 -0.40 0.50 -0.01 0.00 0.00 175.52 175.86 1x63 h LYS 74 N 0.00 0.00 0.00 0.00 3.64 0.24 -3.43 116.57 117.01 1x63 h LYS 74 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1x63 h LYS 74 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1x63 h LYS 74 CO 0.02 0.30 0.00 1.19 -2.27 0.00 0.00 179.45 178.69 1x63 n PHE 75 N -4.64 0.00 -0.48 1.91 3.01 0.24 -4.99 117.46 112.52 1x63 n PHE 75 Ca -0.09 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.08 1x63 n PHE 75 Cb 0.28 -0.21 0.23 0.00 -0.01 0.00 0.00 39.48 39.76 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 -2.21 -3.53 -1.76 4.37 0.00 -0.86 -4.92 120.51 111.61 1x63 n ALA 76 Ca 0.00 -1.40 -0.37 0.00 0.00 0.00 0.00 53.44 51.67 1x63 n ALA 76 Cb 0.00 -1.56 0.02 0.00 0.00 0.00 0.00 19.45 17.91 1x63 n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x63 s SER 77 N -2.31 5.48 0.00 0.00 0.15 -1.23 -4.35 113.70 111.44 1x63 s SER 77 Ca 0.59 2.48 0.00 0.00 0.70 0.00 0.00 55.95 59.72 1x63 s SER 77 Cb -0.15 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1x63 s SER 77 CO 0.58 -1.40 0.00 0.61 1.20 0.00 0.00 173.24 174.23 1x63 n GLY 78 N 0.56 2.31 3.56 9.45 0.00 -1.26 -4.51 105.19 115.30 1x63 n GLY 78 Ca 0.11 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 1x63 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x63 s PRO 79 N 2.22 2.57 -0.31 1.61 0.04 -1.26 -4.91 135.00 134.96 1x63 s PRO 79 Ca 0.00 -0.18 -0.37 0.00 0.04 0.00 0.00 61.00 60.49 1x63 s PRO 79 Cb 0.00 -4.98 -0.13 0.00 0.04 0.00 0.00 34.50 29.43 1x63 s PRO 79 CO 0.00 -3.29 2.03 0.43 0.04 0.00 0.00 177.00 176.21 1x63 n SER 80 N 13.80 2.28 -3.42 6.66 7.64 -1.26 -4.90 113.62 134.42 1x63 n SER 80 Ca 0.38 0.67 0.01 0.00 1.01 0.00 0.00 58.87 60.94 1x63 n SER 80 Cb 0.48 -1.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.42 1x63 n SER 80 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x63 s SER 81 N 5.87 -0.86 0.00 6.43 0.15 -1.26 -5.32 113.70 118.70 1x63 s SER 81 Ca 1.05 1.01 0.26 0.00 0.70 0.00 0.00 55.95 58.97 1x63 s SER 81 Cb -0.93 1.91 0.66 0.00 -1.71 0.00 0.00 66.02 65.95 1x63 s SER 81 CO 0.55 -0.16 1.53 0.61 1.20 0.00 0.00 173.24 176.96