#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 -1.40 -0.37 1.61 0.01 -1.26 -5.13 113.70 107.17 1x63 s SER 2 Ca 0.00 0.72 -0.29 0.00 1.31 0.00 0.00 55.95 57.69 1x63 s SER 2 Cb 0.00 2.11 0.02 0.00 0.21 0.00 0.00 66.02 68.36 1x63 s SER 2 CO 0.00 -0.26 1.18 -0.55 0.41 0.00 0.00 173.24 174.02 1x63 s SER 3 N 2.86 6.73 0.01 2.44 0.15 -1.26 -4.75 113.70 119.87 1x63 s SER 3 Ca 0.18 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1x63 s SER 3 Cb -0.14 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1x63 s SER 3 CO -0.22 -1.09 0.00 0.61 1.20 0.00 0.00 173.24 173.74 1x63 n GLY 4 N 4.37 -0.01 0.13 9.45 0.00 -1.26 -4.92 105.19 112.95 1x63 n GLY 4 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1x63 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x63 h SER 5 N 0.00 -0.18 -3.44 1.61 0.02 -2.05 -3.43 113.55 106.08 1x63 h SER 5 Ca 0.00 -0.22 -0.59 0.00 -0.84 0.00 0.00 61.79 60.14 1x63 h SER 5 Cb 0.06 0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.55 1x63 h SER 5 CO 0.00 0.38 -0.04 -0.44 -1.14 0.00 0.00 176.83 175.59 1x63 s SER 6 N -5.44 6.59 0.00 3.07 0.01 -1.26 -4.72 113.70 111.96 1x63 s SER 6 Ca -0.08 0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1x63 s SER 6 Cb -0.00 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1x63 s SER 6 CO 0.28 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1x63 n GLY 7 N 3.78 1.33 4.38 3.44 0.00 -1.26 -4.90 105.19 111.97 1x63 n GLY 7 Ca -0.05 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 1x63 n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x63 n LYS 8 N 0.00 -1.90 -3.65 1.61 4.76 -1.26 -4.90 118.16 112.82 1x63 n LYS 8 Ca 0.00 0.25 -0.02 0.00 -2.87 0.00 0.00 58.31 55.67 1x63 n LYS 8 Cb 0.00 -4.84 -0.04 0.00 -1.84 0.00 0.00 35.03 28.30 1x63 n LYS 8 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x63 h THR 10 N 5.94 0.00 -3.34 0.00 2.02 -2.05 -3.48 112.91 111.99 1x63 h THR 10 Ca -0.19 -0.15 -0.21 0.00 0.77 0.00 0.00 66.41 66.63 1x63 h THR 10 Cb 1.11 0.00 -0.28 0.00 -1.74 0.00 0.00 68.15 67.24 1x63 h THR 10 CO 0.10 0.00 -0.57 -0.89 0.37 0.00 0.00 175.52 174.54 1x63 s THR 11 N -1.10 -0.02 -0.24 3.16 2.01 -1.26 -5.05 115.64 113.13 1x63 s THR 11 Ca -0.00 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 1x63 s THR 11 Cb 0.00 -0.22 -0.16 0.00 0.01 0.00 0.00 72.50 72.13 1x63 s THR 11 CO 0.00 0.03 -0.15 -1.14 -0.69 0.00 0.00 174.62 172.67 1x63 n ARG 12 N 3.43 0.63 -3.83 4.92 0.63 -1.26 -4.95 116.66 116.22 1x63 n ARG 12 Ca -0.17 0.27 -0.20 0.00 -0.92 0.00 0.00 57.85 56.83 1x63 n ARG 12 Cb 0.56 -1.56 -0.17 0.00 0.45 0.00 0.00 32.46 31.74 1x63 n ARG 12 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1x63 s GLU 13 N -2.50 0.37 0.00 -0.14 2.02 -1.26 -5.11 118.70 112.08 1x63 s GLU 13 Ca -0.34 0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.49 1x63 s GLU 13 Cb 0.11 -0.69 -0.08 0.00 0.10 0.00 0.00 34.13 33.57 1x63 s GLU 13 CO 0.57 -0.23 1.97 -0.51 0.02 0.00 0.00 175.26 177.08 1x63 s ASP 14 N 1.59 6.36 0.01 -0.19 1.01 -1.26 -4.96 116.67 119.23 1x63 s ASP 14 Ca -0.02 2.55 -0.17 0.00 0.71 0.00 0.00 52.55 55.62 1x63 s ASP 14 Cb -0.13 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.30 1x63 s ASP 14 CO -0.03 -1.14 0.37 -0.44 0.21 0.00 0.00 175.17 174.14 1x63 s SER 15 N 4.76 -0.25 -0.57 0.27 0.01 -1.26 -5.11 113.70 111.55 1x63 s SER 15 Ca 0.88 0.08 -0.27 0.00 1.31 0.00 0.00 55.95 57.95 1x63 s SER 15 Cb -0.41 0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 1x63 s SER 15 CO 0.40 -0.55 1.84 -2.16 0.41 0.00 0.00 173.24 173.18 1x63 s PRO 16 N -1.81 2.75 0.29 12.44 0.04 -1.24 -4.80 135.00 142.66 1x63 s PRO 16 Ca -0.10 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 1x63 s PRO 16 Cb -0.03 -4.35 -0.10 0.00 0.04 0.00 0.00 34.50 30.06 1x63 s PRO 16 CO 0.02 -2.58 1.16 0.15 0.04 0.00 0.00 177.00 175.79 1x63 s LYS 17 N 6.80 4.55 0.78 4.56 -0.14 -1.26 0.26 119.74 135.29 1x63 s LYS 17 Ca 0.69 1.93 -0.12 0.00 -1.36 0.00 0.00 55.97 57.11 1x63 s LYS 17 Cb -0.14 -3.16 0.06 0.00 -1.68 0.00 0.00 37.83 32.92 1x63 s LYS 17 CO 0.23 0.09 1.11 0.00 -0.76 0.00 0.00 175.35 176.01 1x63 n LYS 19 N -3.33 0.84 0.34 0.00 3.00 -1.24 -3.64 118.16 114.13 1x63 n LYS 19 Ca 0.07 0.05 -0.14 0.00 -0.00 0.00 0.00 58.31 58.30 1x63 n LYS 19 Cb 0.57 -1.26 -0.07 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 1.26 -0.95 0.69 3.14 0.00 -1.92 -3.33 103.07 101.95 1x63 h GLY 20 Ca -0.29 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1x63 h GLY 20 CO -0.03 -0.35 -1.13 0.00 0.00 0.00 0.00 176.54 175.03 1x63 n PHE 22 N -2.26 -0.65 -4.58 0.00 3.72 -1.24 -5.02 117.46 107.43 1x63 n PHE 22 Ca 0.00 0.07 -0.34 0.00 -0.05 0.00 0.00 57.45 57.14 1x63 n PHE 22 Cb 0.49 -2.65 -0.12 0.00 -0.94 0.00 0.00 39.48 36.27 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 -4.70 3.15 0.06 -1.08 1.02 -1.26 -4.70 119.74 112.24 1x63 s LYS 23 Ca 0.04 -0.56 -0.37 0.00 0.02 0.00 0.00 55.97 55.09 1x63 s LYS 23 Cb -0.02 -2.70 -0.17 0.00 -0.52 0.00 0.00 37.83 34.42 1x63 s LYS 23 CO 0.05 0.45 1.29 0.00 -0.92 0.00 0.00 175.35 176.22 1x63 n ALA 24 N 2.86 -1.49 -2.85 5.17 0.00 -1.26 -1.87 120.51 121.07 1x63 n ALA 24 Ca -0.18 0.53 -0.29 0.00 0.00 0.00 0.00 53.44 53.51 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 0.43 4.89 0.50 0.00 1.01 0.14 -4.82 121.20 123.34 1x63 s ILE 25 Ca 0.86 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.81 1x63 s ILE 25 Cb -1.02 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 1x63 s ILE 25 CO 0.49 0.03 0.14 0.68 0.00 0.00 0.00 174.94 176.28 1x63 s VAL 26 N -1.57 1.52 -0.07 2.92 -7.23 -1.26 -3.62 120.40 111.09 1x63 s VAL 26 Ca 0.32 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1x63 s VAL 26 Cb -0.12 -2.34 -0.00 0.00 0.56 0.00 0.00 36.38 34.48 1x63 s VAL 26 CO 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 175.03 1x63 h ALA 27 N 1.23 0.00 -1.13 1.32 0.00 -2.00 -3.35 119.26 115.34 1x63 h ALA 27 Ca -0.42 -0.04 0.44 0.00 0.00 0.00 0.00 54.91 54.89 1x63 h ALA 27 Cb 1.30 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 1x63 h ALA 27 CO 0.70 0.03 0.66 0.41 0.00 0.00 0.00 179.25 181.05 1x63 n GLY 28 N 1.84 -0.78 3.77 0.00 0.00 -1.26 -4.38 105.19 104.38 1x63 n GLY 28 Ca -0.00 0.79 -0.38 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.43 6.56 -0.33 1.61 2.15 -1.26 -4.97 116.67 116.00 1x63 s ASP 29 Ca -0.08 2.27 -0.29 0.00 0.43 0.00 0.00 52.55 54.88 1x63 s ASP 29 Cb 0.33 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 40.35 1x63 s ASP 29 CO 0.79 -0.64 1.30 -1.10 -0.17 0.00 0.00 175.17 175.35 1x63 s GLN 30 N -2.35 3.85 0.31 4.34 1.11 -1.26 -4.85 119.66 120.80 1x63 s GLN 30 Ca 0.57 1.14 0.04 0.00 0.01 0.00 0.00 55.36 57.13 1x63 s GLN 30 Cb -0.29 -3.90 -0.03 0.00 -1.01 0.00 0.00 33.01 27.78 1x63 s GLN 30 CO 0.36 -1.21 0.20 -0.80 0.01 0.00 0.00 175.29 173.85 1x63 s ASN 31 N 2.93 1.53 -0.35 5.90 0.01 -1.26 0.48 114.94 124.18 1x63 s ASN 31 Ca 0.56 -1.62 0.02 0.00 -0.71 0.00 0.00 52.86 51.10 1x63 s ASN 31 Cb -0.15 0.46 0.11 0.00 0.41 0.00 0.00 41.25 42.08 1x63 s ASN 31 CO 0.25 -0.95 0.10 -0.69 -1.51 0.00 0.00 177.10 174.30 1x63 s VAL 32 N -3.58 1.57 -0.27 1.60 1.01 0.00 -4.67 120.40 116.06 1x63 s VAL 32 Ca 0.37 -2.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.19 1x63 s VAL 32 Cb 0.04 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1x63 s VAL 32 CO 0.20 -0.68 0.38 -0.70 0.00 0.00 0.00 175.10 174.30 1x63 s GLU 33 N 1.09 4.02 -0.12 2.72 2.12 -1.26 -1.27 118.70 125.99 1x63 s GLU 33 Ca 0.12 0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.49 1x63 s GLU 33 Cb -0.19 -3.65 0.04 0.00 0.26 0.00 0.00 34.13 30.58 1x63 s GLU 33 CO -0.14 -0.28 0.00 -0.47 -0.54 0.00 0.00 175.26 173.83 1x63 s TYR 34 N 2.07 0.93 -1.46 5.30 6.14 -0.20 -4.82 117.35 125.30 1x63 s TYR 34 Ca 0.15 -0.51 -0.11 0.00 0.64 0.00 0.00 57.07 57.24 1x63 s TYR 34 Cb -0.16 -0.95 0.05 0.00 0.42 0.00 0.00 41.96 41.32 1x63 s TYR 34 CO 0.10 -0.46 0.99 1.63 0.64 0.00 0.00 175.55 178.45 1x63 n LYS 35 N 5.08 -6.21 0.00 4.97 5.02 -1.26 -3.38 118.16 122.39 1x63 n LYS 35 Ca -0.08 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1x63 n LYS 35 Cb 0.49 -5.64 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 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 -1.76 2.09 3.15 0.72 0.00 -1.26 -5.04 105.19 103.08 1x63 n GLY 36 Ca 0.01 -0.65 -0.35 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 0.05 -3.70 2.61 -1.04 -1.22 -4.90 114.28 106.09 1x63 n THR 37 Ca 0.00 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.05 61.50 1x63 n THR 37 Cb 0.00 -0.21 -0.11 0.00 -1.82 0.00 0.00 70.33 68.18 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 -2.12 -0.15 -0.20 12.58 0.11 -1.26 -1.04 120.40 128.32 1x63 s VAL 38 Ca 0.46 0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 59.63 1x63 s VAL 38 Cb -0.20 -0.54 -0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1x63 s VAL 38 CO 0.77 0.06 -0.09 0.26 -3.33 0.00 0.00 175.10 172.77 1x63 s TRP 39 N 1.63 2.90 0.29 1.54 0.51 -0.40 -3.59 118.94 121.82 1x63 s TRP 39 Ca -0.07 -1.07 -0.26 0.00 -2.12 0.00 0.00 56.10 52.57 1x63 s TRP 39 Cb -0.10 -2.03 -0.15 0.00 -0.81 0.00 0.00 33.47 30.38 1x63 s TRP 39 CO -0.11 -0.57 0.63 0.72 -0.51 0.00 0.00 176.95 177.10 1x63 n HIS 40 N 4.61 -0.13 0.04 -1.98 8.25 -1.26 -0.82 115.22 123.92 1x63 n HIS 40 Ca -0.19 0.79 0.18 0.00 -0.26 0.00 0.00 57.72 58.24 1x63 n HIS 40 Cb 0.51 -2.03 0.40 0.00 1.12 0.00 0.00 29.99 29.98 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 1.18 0.00 0.00 -0.41 3.64 -0.26 1.46 116.57 122.18 1x63 h LYS 41 Ca -0.35 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.68 1x63 h LYS 41 Cb 1.40 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.16 1x63 h LYS 41 CO 0.56 0.00 -2.35 -0.40 -2.27 0.00 0.00 179.45 174.99 1x63 n ASP 42 N -3.07 0.12 -0.04 4.20 5.68 -1.26 -3.37 116.55 118.82 1x63 n ASP 42 Ca 0.12 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.26 1x63 n ASP 42 Cb 1.14 1.01 -0.08 0.00 -1.14 0.00 0.00 41.12 42.05 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 -4.38 1.77 -4.47 0.00 7.35 0.79 -4.87 117.46 113.65 1x63 n PHE 44 Ca -0.07 0.02 -0.23 0.00 -0.76 0.00 0.00 57.45 56.41 1x63 n PHE 44 Cb 0.50 -2.66 -0.10 0.00 0.35 0.00 0.00 39.48 37.57 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 8.54 1.17 0.68 -2.13 -4.23 -1.26 -0.18 115.64 118.23 1x63 s THR 45 Ca 1.04 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.46 1x63 s THR 45 Cb -0.48 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 70.65 1x63 s THR 45 CO 0.38 0.00 1.03 0.00 -0.54 0.00 0.00 174.62 175.49 1x63 n SER 47 N -2.90 1.22 -0.09 0.00 7.64 -0.60 -3.37 113.62 115.52 1x63 n SER 47 Ca 0.06 -0.16 -0.11 0.00 1.01 0.00 0.00 58.87 59.68 1x63 n SER 47 Cb 0.58 1.60 -0.04 0.00 -1.01 0.00 0.00 64.21 65.35 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 -1.93 1.89 0.04 6.43 5.15 -1.26 -4.63 115.26 120.95 1x63 n ASN 48 Ca -0.02 0.44 0.11 0.00 -0.60 0.00 0.00 54.58 54.52 1x63 n ASN 48 Cb 0.39 -0.81 -0.05 0.00 -0.53 0.00 0.00 39.78 38.77 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 -2.28 -6.39 -4.00 0.00 4.01 -1.22 -4.95 118.16 103.33 1x63 n LYS 50 Ca -0.01 0.80 -0.35 0.00 -0.51 0.00 0.00 58.31 58.25 1x63 n LYS 50 Cb 0.51 -5.67 -0.14 0.00 -0.51 0.00 0.00 35.03 29.22 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 -5.40 3.31 -0.46 1.97 -0.21 -1.26 -4.63 119.66 112.98 1x63 s GLN 51 Ca 0.07 -0.66 -0.43 0.00 0.02 0.00 0.00 55.36 54.36 1x63 s GLN 51 Cb -0.03 -2.91 -0.18 0.00 1.00 0.00 0.00 33.01 30.89 1x63 s GLN 51 CO 0.69 -0.17 1.66 0.28 -2.12 0.00 0.00 175.29 175.63 1x63 n VAL 52 N 4.68 0.00 -0.08 1.09 0.31 -1.26 -2.99 118.33 120.08 1x63 n VAL 52 Ca -0.19 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.92 1x63 n VAL 52 Cb 0.51 -0.46 -0.12 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 4.54 1.61 -3.79 2.52 5.41 0.75 -4.93 119.36 125.46 1x63 n ILE 53 Ca 0.37 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1x63 n ILE 53 Cb -0.05 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.10 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 1.76 1.36 0.37 7.39 0.00 -1.09 -2.11 105.19 112.88 1x63 n GLY 54 Ca -0.39 -0.54 0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 0.48 -1.76 2.61 1.35 -1.83 -3.43 112.91 110.33 1x63 h THR 55 Ca 0.00 -0.16 -0.52 0.00 -0.55 0.00 0.00 66.41 65.18 1x63 h THR 55 Cb 0.00 -0.03 0.17 0.00 -1.73 0.00 0.00 68.15 66.56 1x63 h THR 55 CO 0.00 0.09 -1.14 0.61 -0.25 0.00 0.00 175.52 174.82 1x63 n GLY 56 N -1.37 -3.09 3.75 5.82 0.00 -0.90 -4.85 105.19 104.55 1x63 n GLY 56 Ca 0.28 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.88 4.90 0.31 1.61 0.01 -1.26 -5.00 113.70 113.40 1x63 s SER 57 Ca 0.47 2.28 -0.04 0.00 1.31 0.00 0.00 55.95 59.96 1x63 s SER 57 Cb -0.38 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.26 1x63 s SER 57 CO 0.61 -1.78 0.45 0.72 0.41 0.00 0.00 173.24 173.65 1x63 s PHE 58 N -1.89 0.93 -0.32 2.43 -0.71 -1.26 -3.45 117.98 113.71 1x63 s PHE 58 Ca 0.74 -1.19 -0.01 0.00 -1.04 0.00 0.00 56.93 55.43 1x63 s PHE 58 Cb -0.27 -0.06 0.11 0.00 -1.21 0.00 0.00 43.02 41.58 1x63 s PHE 58 CO 0.38 -1.07 0.13 -0.06 -1.34 0.00 0.00 175.22 173.26 1x63 s PHE 59 N -3.32 1.22 -0.44 3.49 0.40 0.14 -4.84 117.98 114.62 1x63 s PHE 59 Ca 0.29 -1.52 -0.28 0.00 -0.60 0.00 0.00 56.93 54.82 1x63 s PHE 59 Cb 0.00 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 1x63 s PHE 59 CO 0.17 -0.85 1.76 -1.25 0.70 0.00 0.00 175.22 175.75 1x63 s PRO 60 N 1.61 3.12 -0.14 0.24 0.04 -1.26 -2.45 135.00 136.16 1x63 s PRO 60 Ca 0.11 1.06 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 1x63 s PRO 60 Cb -0.18 -4.24 -0.02 0.00 0.04 0.00 0.00 34.50 30.10 1x63 s PRO 60 CO -0.24 -2.12 -0.06 0.15 0.04 0.00 0.00 177.00 174.76 1x63 s LYS 61 N 6.03 3.54 0.66 4.56 -0.14 -1.14 -4.97 119.74 128.29 1x63 s LYS 61 Ca 0.72 -0.56 0.00 0.00 -1.36 0.00 0.00 55.97 54.77 1x63 s LYS 61 Cb -0.18 -2.83 0.00 0.00 -1.68 0.00 0.00 37.83 33.15 1x63 s LYS 61 CO 0.29 0.27 0.00 0.41 -0.76 0.00 0.00 175.35 175.56 1x63 n GLY 62 N 3.43 1.05 2.30 -3.33 0.00 -1.26 0.18 105.19 107.56 1x63 n GLY 62 Ca -0.18 0.73 -0.19 0.00 0.00 0.00 0.00 46.02 46.39 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 3.06 -4.22 1.61 2.13 -1.26 -5.05 120.64 116.91 1x63 n GLU 63 Ca 0.00 -4.04 -0.18 0.00 0.66 0.00 0.00 57.16 53.60 1x63 n GLU 63 Cb 0.00 -2.08 -0.07 0.00 0.27 0.00 0.00 31.44 29.56 1x63 n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1x63 s ASP 64 N -3.60 1.42 -0.35 4.31 1.11 0.13 -5.14 116.67 114.55 1x63 s ASP 64 Ca 0.44 -1.67 -0.00 0.00 0.18 0.00 0.00 52.55 51.50 1x63 s ASP 64 Cb 0.39 0.59 0.12 0.00 1.07 0.00 0.00 42.92 45.10 1x63 s ASP 64 CO -0.02 -1.14 0.17 -0.36 1.18 0.00 0.00 175.17 175.00 1x63 s PHE 65 N -3.31 1.26 -0.08 4.23 0.08 -1.26 -2.88 117.98 116.02 1x63 s PHE 65 Ca 0.37 -1.74 -0.20 0.00 0.12 0.00 0.00 56.93 55.48 1x63 s PHE 65 Cb 0.01 -1.39 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 1x63 s PHE 65 CO 0.25 -0.83 0.57 0.71 -0.10 0.00 0.00 175.22 175.82 1x63 s TYR 66 N 1.21 3.56 0.54 0.36 1.51 -1.03 -1.56 117.35 121.94 1x63 s TYR 66 Ca 0.14 1.06 -0.17 0.00 -1.01 0.00 0.00 57.07 57.09 1x63 s TYR 66 Cb -0.21 -2.64 -0.07 0.00 -0.11 0.00 0.00 41.96 38.94 1x63 s TYR 66 CO -0.13 0.18 1.02 0.00 -1.11 0.00 0.00 175.55 175.51 1x63 n VAL 68 N -1.62 -0.08 -0.15 0.00 0.31 -1.22 -0.48 118.33 115.09 1x63 n VAL 68 Ca 0.08 1.07 -0.07 0.00 -0.01 0.00 0.00 64.34 65.41 1x63 n VAL 68 Cb 0.53 -1.40 -0.05 0.00 -0.91 0.00 0.00 33.84 32.01 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 -0.84 2.52 2.02 -1.92 0.86 112.91 115.54 1x63 h THR 69 Ca 0.02 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.40 1x63 h THR 69 Cb 0.05 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.31 1x63 h THR 69 CO -0.11 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.76 1x63 h HIS 71 N 0.07 0.00 -0.34 0.00 2.76 0.14 0.40 115.15 118.18 1x63 h HIS 71 Ca 0.47 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.53 1x63 h HIS 71 Cb 0.86 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 1x63 h HIS 71 CO -0.48 0.44 -0.20 0.93 -1.30 0.00 0.00 177.93 177.32 1x63 h GLU 72 N 0.00 0.73 0.14 5.26 4.39 0.79 0.17 114.58 126.06 1x63 h GLU 72 Ca -0.00 -0.34 -0.31 0.00 0.34 0.00 0.00 59.36 59.05 1x63 h GLU 72 Cb 0.78 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1x63 h GLU 72 CO 0.06 0.95 -1.50 0.00 -1.16 0.00 0.00 179.01 177.35 1x63 h THR 73 N 0.50 1.20 0.57 1.13 1.03 -0.73 -2.82 112.91 113.79 1x63 h THR 73 Ca 0.07 -2.80 -0.03 0.00 -0.01 0.00 0.00 66.41 63.64 1x63 h THR 73 Cb 0.75 2.81 0.01 0.00 -1.07 0.00 0.00 68.15 70.65 1x63 h THR 73 CO 0.06 0.83 -0.27 0.50 -0.01 0.00 0.00 175.52 176.62 1x63 h LYS 74 N 0.08 -0.74 0.00 0.00 3.64 -0.24 -3.43 116.57 115.88 1x63 h LYS 74 Ca -0.24 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1x63 h LYS 74 Cb 2.03 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 34.02 1x63 h LYS 74 CO 0.18 -0.47 0.00 1.19 -2.27 0.00 0.00 179.45 178.08 1x63 n PHE 75 N -5.29 0.00 -0.64 1.91 3.01 -0.05 -5.00 117.46 111.40 1x63 n PHE 75 Ca -0.10 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.07 1x63 n PHE 75 Cb 0.31 -0.09 0.17 0.00 -0.01 0.00 0.00 39.48 39.86 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 -1.98 -3.52 -0.07 4.37 0.00 -0.59 -4.96 120.51 113.76 1x63 n ALA 76 Ca 0.00 -1.28 -0.13 0.00 0.00 0.00 0.00 53.44 52.04 1x63 n ALA 76 Cb 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.03 1x63 n ALA 76 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x63 h SER 77 N -2.22 0.00 -3.76 0.00 0.02 -1.87 -3.37 113.55 102.35 1x63 h SER 77 Ca -0.46 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 59.83 1x63 h SER 77 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1x63 h SER 77 CO 0.32 1.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.61 1x63 n GLY 78 N 1.60 -2.18 3.58 -3.77 0.00 -1.25 -4.70 105.19 98.48 1x63 n GLY 78 Ca -0.13 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 -5.01 3.10 0.14 1.61 0.04 -1.26 -4.98 135.00 128.65 1x63 s PRO 79 Ca 0.00 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 1x63 s PRO 79 Cb 0.00 -4.24 -0.07 0.00 0.04 0.00 0.00 34.50 30.23 1x63 s PRO 79 CO 0.00 -2.15 0.91 -1.54 0.04 0.00 0.00 177.00 174.27 1x63 s SER 80 N 6.52 7.50 -0.21 6.66 1.04 -1.26 -5.04 113.70 128.91 1x63 s SER 80 Ca 0.72 1.78 -0.28 0.00 0.48 0.00 0.00 55.95 58.65 1x63 s SER 80 Cb -0.17 -2.57 0.13 0.00 0.10 0.00 0.00 66.02 63.51 1x63 s SER 80 CO 0.28 0.03 1.06 -0.94 0.98 0.00 0.00 173.24 174.66 1x63 s SER 81 N -0.44 -0.35 0.00 7.02 1.04 -1.26 -5.32 113.70 114.39 1x63 s SER 81 Ca 0.43 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.35 1x63 s SER 81 Cb -0.24 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1x63 s SER 81 CO 0.29 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.88