#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b64 n VAL 2 N 0.00 0.55 -3.89 1.12 3.14 -1.26 -1.77 118.33 116.21 2b64 n VAL 2 Ca 0.00 -0.10 -0.11 0.00 -2.96 0.00 0.00 64.34 61.17 2b64 n VAL 2 Cb 0.00 -1.98 -0.10 0.00 -1.06 0.00 0.00 33.84 30.70 2b64 n VAL 2 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2b64 s LYS 3 N 3.70 0.45 -0.04 1.45 -2.85 0.13 -2.55 119.74 120.02 2b64 s LYS 3 Ca 0.89 -0.43 -0.15 0.00 -1.00 0.00 0.00 55.97 55.29 2b64 s LYS 3 Cb -0.61 0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.30 2b64 s LYS 3 CO 0.46 -0.10 0.40 0.42 0.10 0.00 0.00 175.35 176.63 2b64 s ILE 4 N -1.38 5.10 0.00 3.79 1.01 0.83 -0.66 121.20 129.89 2b64 s ILE 4 Ca -0.15 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.31 2b64 s ILE 4 Cb -0.08 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2b64 s ILE 4 CO 0.01 0.52 0.00 -2.11 0.00 0.00 0.00 174.94 173.36 2b64 n ARG 5 N 2.34 0.00 -3.86 2.79 1.85 -0.30 -0.74 116.66 118.73 2b64 n ARG 5 Ca -0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.60 2b64 n ARG 5 Cb 0.52 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.79 2b64 n ARG 5 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 2b64 s LEU 6 N 0.00 1.94 -0.19 2.89 -0.00 -1.25 -0.22 118.68 121.85 2b64 s LEU 6 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 54.13 54.16 2b64 s LEU 6 Cb 0.00 0.05 0.01 0.00 -0.00 0.00 0.00 46.19 46.25 2b64 s LEU 6 CO 0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 176.35 176.19 2b64 s ALA 7 N 0.01 2.48 -0.49 1.48 0.00 -1.02 -4.63 121.76 119.59 2b64 s ALA 7 Ca -0.00 -1.21 -0.26 0.00 0.00 0.00 0.00 51.96 50.49 2b64 s ALA 7 Cb -0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 2b64 s ALA 7 CO 0.00 -0.38 2.24 0.50 0.00 0.00 0.00 175.76 178.11 2b64 s ARG 8 N 1.35 2.35 -0.17 0.00 3.00 -1.26 -0.70 118.95 123.51 2b64 s ARG 8 Ca 0.05 1.26 -0.10 0.00 -1.00 0.00 0.00 55.73 55.94 2b64 s ARG 8 Cb -0.13 -4.51 -0.05 0.00 0.00 0.00 0.00 34.95 30.26 2b64 s ARG 8 CO -0.10 -3.00 0.17 -0.06 0.00 0.00 0.00 175.30 172.31 2b64 s PHE 9 N 10.94 3.46 -5.00 5.12 2.99 -0.89 -4.92 117.98 129.68 2b64 s PHE 9 Ca 0.90 0.43 0.00 0.00 0.00 0.00 0.00 56.93 58.25 2b64 s PHE 9 Cb -0.17 -2.16 0.00 0.00 0.00 0.00 0.00 43.02 40.69 2b64 s PHE 9 CO 0.26 0.37 0.00 0.41 -0.00 0.00 0.00 175.22 176.25 2b64 n GLY 10 N 3.19 0.30 0.00 4.36 0.00 -1.25 -0.85 105.19 110.95 2b64 n GLY 10 Ca -0.16 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2b64 n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b64 n SER 11 N 0.00 0.00 -4.75 1.61 3.41 -1.16 -4.99 113.62 107.74 2b64 n SER 11 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 2b64 n SER 11 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2b64 n SER 11 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2b64 s LYS 12 N 4.72 4.54 0.00 4.33 2.47 -1.26 -3.33 119.74 131.22 2b64 s LYS 12 Ca 0.00 1.14 0.00 0.00 -1.56 0.00 0.00 55.97 55.55 2b64 s LYS 12 Cb 0.00 -3.35 0.00 0.00 -1.46 0.00 0.00 37.83 33.02 2b64 s LYS 12 CO 0.00 0.32 0.00 0.72 0.16 0.00 0.00 175.35 176.55 2b64 n HIS 13 N 2.62 0.00 -3.21 4.03 8.25 -1.26 -4.88 115.22 120.76 2b64 n HIS 13 Ca -0.02 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.98 2b64 n HIS 13 Cb 0.50 -1.20 -0.03 0.00 1.12 0.00 0.00 29.99 30.39 2b64 n HIS 13 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2b64 s ASN 14 N -1.47 6.62 -0.32 0.41 3.84 -1.21 -5.03 114.94 117.77 2b64 s ASN 14 Ca 0.00 -2.32 -0.10 0.00 0.21 0.00 0.00 52.86 50.65 2b64 s ASN 14 Cb 0.00 -2.26 -0.00 0.00 -0.55 0.00 0.00 41.25 38.43 2b64 s ASN 14 CO 0.00 -0.78 0.16 -2.16 -2.79 0.00 0.00 177.10 171.54 2b64 s PRO 15 N 1.17 3.29 -0.47 0.43 0.04 -1.26 -3.01 135.00 135.18 2b64 s PRO 15 Ca 0.19 -0.75 0.03 0.00 0.04 0.00 0.00 61.00 60.51 2b64 s PRO 15 Cb -0.12 -3.59 0.13 0.00 0.04 0.00 0.00 34.50 30.95 2b64 s PRO 15 CO -0.06 -0.45 0.23 -1.01 0.04 0.00 0.00 177.00 175.75 2b64 s HIS 16 N 1.61 2.67 1.10 0.56 3.76 -0.03 -4.05 115.29 120.92 2b64 s HIS 16 Ca 0.04 -2.81 -0.14 0.00 -0.15 0.00 0.00 55.06 52.01 2b64 s HIS 16 Cb -0.17 -2.41 0.24 0.00 1.11 0.00 0.00 32.58 31.36 2b64 s HIS 16 CO 0.06 -0.77 1.06 0.71 -0.85 0.00 0.00 174.74 174.95 2b64 s TYR 17 N 0.10 1.59 -0.45 1.40 1.51 -0.67 -2.09 117.35 118.74 2b64 s TYR 17 Ca 0.17 0.98 0.04 0.00 -1.01 0.00 0.00 57.07 57.24 2b64 s TYR 17 Cb -0.25 -3.21 0.12 0.00 -0.11 0.00 0.00 41.96 38.51 2b64 s TYR 17 CO -0.01 -3.46 0.18 1.03 -1.11 0.00 0.00 175.55 172.18 2b64 s ARG 18 N -4.82 1.79 -0.56 -0.62 1.81 0.12 -3.05 118.95 113.62 2b64 s ARG 18 Ca 0.67 -2.30 -0.26 0.00 -1.72 0.00 0.00 55.73 52.12 2b64 s ARG 18 Cb -0.20 -3.30 -0.09 0.00 -0.45 0.00 0.00 34.95 30.92 2b64 s ARG 18 CO 0.60 -1.04 2.43 -0.89 -0.68 0.00 0.00 175.30 175.72 2b64 n ILE 19 N 3.63 -0.07 -3.86 1.52 5.41 -1.14 -2.42 119.36 122.42 2b64 n ILE 19 Ca 0.04 -0.73 -0.12 0.00 1.00 0.00 0.00 62.75 62.94 2b64 n ILE 19 Cb 0.37 -2.59 -0.13 0.00 -0.71 0.00 0.00 39.64 36.57 2b64 n ILE 19 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2b64 s VAL 20 N 12.51 0.01 -0.25 1.39 1.01 0.69 -2.78 120.40 132.98 2b64 s VAL 20 Ca 0.99 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 62.62 2b64 s VAL 20 Cb -0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 2b64 s VAL 20 CO 0.24 -0.05 0.85 0.68 0.00 0.00 0.00 175.10 176.82 2b64 s VAL 21 N -0.14 4.81 0.00 2.92 -7.23 -0.86 -1.15 120.40 118.75 2b64 s VAL 21 Ca -0.02 1.58 0.00 0.00 -1.81 0.00 0.00 61.98 61.73 2b64 s VAL 21 Cb -0.01 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.78 2b64 s VAL 21 CO 0.00 -0.11 0.00 0.35 -0.31 0.00 0.00 175.10 175.04 2b64 n THR 22 N 5.30 0.00 -4.00 5.32 -2.24 0.17 -0.80 114.28 118.02 2b64 n THR 22 Ca 0.06 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 2b64 n THR 22 Cb 0.47 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 2b64 n THR 22 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2b64 s ASP 23 N -0.00 6.12 0.00 3.42 -1.08 -1.26 0.17 116.67 124.04 2b64 s ASP 23 Ca 0.00 0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.04 2b64 s ASP 23 Cb 0.00 -1.75 0.00 0.00 -1.46 0.00 0.00 42.92 39.71 2b64 s ASP 23 CO 0.00 -0.04 0.77 0.00 0.52 0.00 0.00 175.17 176.42 2b64 n ALA 24 N -1.22 2.35 0.00 3.66 0.00 -0.73 -3.17 120.51 121.40 2b64 n ALA 24 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2b64 n ALA 24 Cb 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2b64 n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b64 n ARG 25 N 0.46 0.00 -1.44 0.00 1.74 -1.26 -4.79 116.66 111.37 2b64 n ARG 25 Ca 0.00 0.00 -0.51 0.00 -0.77 0.00 0.00 57.85 56.57 2b64 n ARG 25 Cb 0.39 -0.54 -0.04 0.00 -1.02 0.00 0.00 32.46 31.24 2b64 n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2b64 n ARG 26 N -2.30 0.09 -1.54 5.56 5.12 -1.19 -4.86 116.66 117.55 2b64 n ARG 26 Ca 0.00 0.03 -0.43 0.00 -1.93 0.00 0.00 57.85 55.52 2b64 n ARG 26 Cb 0.24 -1.20 -0.00 0.00 -1.16 0.00 0.00 32.46 30.34 2b64 n ARG 26 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2b64 n LYS 27 N 1.16 1.00 0.00 5.56 5.02 -1.26 -4.79 118.16 124.85 2b64 n LYS 27 Ca 0.18 0.35 0.03 0.00 -2.02 0.00 0.00 58.31 56.85 2b64 n LYS 27 Cb 0.20 -1.72 0.16 0.00 -0.02 0.00 0.00 35.03 33.66 2b64 n LYS 27 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2b64 n ARG 28 N 0.56 0.20 0.00 1.97 -4.01 -1.26 -0.55 116.66 113.57 2b64 n ARG 28 Ca 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.92 2b64 n ARG 28 Cb 0.35 -1.44 0.00 0.00 -3.04 0.00 0.00 32.46 28.33 2b64 n ARG 28 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2b64 n ASP 29 N -0.94 0.29 -3.30 2.89 10.43 -1.26 -4.57 116.55 120.09 2b64 n ASP 29 Ca 0.04 -0.64 0.00 0.00 2.57 0.00 0.00 54.79 56.76 2b64 n ASP 29 Cb 0.02 0.69 0.00 0.00 1.84 0.00 0.00 41.12 43.67 2b64 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2b64 n GLY 30 N 0.69 -0.96 3.72 0.44 0.00 0.29 -5.00 105.19 104.37 2b64 n GLY 30 Ca 0.00 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 2b64 n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2b64 s LYS 31 N 0.00 4.57 -0.03 1.61 2.20 -1.26 -4.95 119.74 121.88 2b64 s LYS 31 Ca 0.00 1.33 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 2b64 s LYS 31 Cb 0.00 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 2b64 s LYS 31 CO 0.00 0.06 -0.01 1.52 -0.36 0.00 0.00 175.35 176.56 2b64 s TYR 32 N 0.65 3.08 0.20 4.03 1.13 -1.26 -4.83 117.35 120.35 2b64 s TYR 32 Ca 0.48 0.10 -0.06 0.00 -1.41 0.00 0.00 57.07 56.18 2b64 s TYR 32 Cb -0.21 -1.70 0.13 0.00 -1.10 0.00 0.00 41.96 39.08 2b64 s TYR 32 CO 0.27 0.45 1.61 0.82 -2.51 0.00 0.00 175.55 176.19 2b64 h ILE 33 N 3.77 1.27 -2.05 -3.49 2.04 -1.32 -3.46 117.51 114.27 2b64 h ILE 33 Ca -0.49 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 63.97 2b64 h ILE 33 Cb 1.18 1.17 -0.20 0.00 -0.74 0.00 0.00 36.82 38.23 2b64 h ILE 33 CO 0.56 0.45 0.14 -0.70 0.00 0.00 0.00 178.15 178.60 2b64 s GLU 34 N -4.64 0.93 -0.25 2.37 -6.30 -0.98 -5.02 118.70 104.81 2b64 s GLU 34 Ca -0.10 0.58 -0.09 0.00 -2.50 0.00 0.00 54.97 52.87 2b64 s GLU 34 Cb 0.13 0.45 -0.04 0.00 0.00 0.00 0.00 34.13 34.67 2b64 s GLU 34 CO 0.85 -0.22 0.11 0.21 0.02 0.00 0.00 175.26 176.23 2b64 s LYS 35 N -0.46 3.78 0.00 4.30 2.47 -1.26 -2.03 119.74 126.54 2b64 s LYS 35 Ca -0.06 -0.41 0.06 0.00 -1.56 0.00 0.00 55.97 53.99 2b64 s LYS 35 Cb -0.02 -3.42 0.12 0.00 -1.46 0.00 0.00 37.83 33.04 2b64 s LYS 35 CO 0.06 -0.15 0.97 0.44 0.16 0.00 0.00 175.35 176.83 2b64 n ILE 36 N 4.85 0.64 -0.45 5.43 -5.35 -1.12 -5.03 119.36 118.32 2b64 n ILE 36 Ca -0.15 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 2b64 n ILE 36 Cb 0.52 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 2b64 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b64 n GLY 37 N 0.15 0.78 3.19 3.28 0.00 -1.20 0.80 105.19 112.19 2b64 n GLY 37 Ca 0.05 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 2b64 n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2b64 s TYR 38 N -3.08 0.02 -0.15 1.61 -0.85 -0.98 -2.90 117.35 111.01 2b64 s TYR 38 Ca 0.00 -0.20 -0.04 0.00 -0.52 0.00 0.00 57.07 56.31 2b64 s TYR 38 Cb 0.00 -0.01 0.07 0.00 0.38 0.00 0.00 41.96 42.40 2b64 s TYR 38 CO 0.00 -0.43 0.17 -0.47 -1.52 0.00 0.00 175.55 173.30 2b64 s TYR 39 N -2.39 -0.14 -0.37 -3.49 5.04 -1.17 -1.68 117.35 113.15 2b64 s TYR 39 Ca -0.06 0.23 -0.13 0.00 -2.44 0.00 0.00 57.07 54.67 2b64 s TYR 39 Cb -0.02 -0.40 0.01 0.00 0.35 0.00 0.00 41.96 41.90 2b64 s TYR 39 CO -0.03 -0.47 0.24 0.34 -1.34 0.00 0.00 175.55 174.29 2b64 s ASP 40 N 2.27 5.93 0.49 4.32 3.68 -0.48 -1.68 116.67 131.20 2b64 s ASP 40 Ca 0.05 -0.74 0.30 0.00 2.13 0.00 0.00 52.55 54.29 2b64 s ASP 40 Cb -0.15 -2.10 1.03 0.00 -1.45 0.00 0.00 42.92 40.26 2b64 s ASP 40 CO -0.09 -0.34 1.85 -0.65 0.13 0.00 0.00 175.17 176.07 2b64 h PRO 41 N 8.51 0.00 -0.60 4.34 0.11 -1.86 -3.27 132.00 139.22 2b64 h PRO 41 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2b64 h PRO 41 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2b64 h PRO 41 CO 0.67 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.00 2b64 n ARG 42 N -3.00 2.86 0.00 1.05 1.74 -1.26 -5.00 116.66 113.05 2b64 n ARG 42 Ca 0.02 -2.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.00 2b64 n ARG 42 Cb 0.37 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2b64 n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2b64 n LYS 43 N 0.86 0.00 0.00 5.56 4.01 -1.24 -4.89 118.16 122.47 2b64 n LYS 43 Ca 0.19 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 2b64 n LYS 43 Cb 0.64 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.16 2b64 n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2b64 n THR 44 N 0.00 0.00 -3.49 -0.18 -2.24 -1.26 -4.68 114.28 102.43 2b64 n THR 44 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 2b64 n THR 44 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 2b64 n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2b64 s THR 45 N 0.00 5.01 0.25 4.28 -4.23 -1.26 -5.02 115.64 114.66 2b64 s THR 45 Ca 0.00 0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.79 2b64 s THR 45 Cb 0.00 -3.62 0.22 0.00 1.34 0.00 0.00 72.50 70.43 2b64 s THR 45 CO 0.00 -0.05 1.81 1.55 -0.54 0.00 0.00 174.62 177.39 2b64 h PRO 46 N 2.59 0.76 -4.65 3.99 0.13 -2.03 -3.31 132.00 129.48 2b64 h PRO 46 Ca -0.47 -0.05 -0.71 0.00 -0.87 0.00 0.00 66.00 63.91 2b64 h PRO 46 Cb 1.17 -0.17 -0.20 0.00 0.13 0.00 0.00 31.00 31.93 2b64 h PRO 46 CO 0.70 0.50 0.20 0.34 -0.23 0.00 0.00 178.00 179.51 2b64 s ASP 47 N -5.59 6.29 -0.00 1.44 -1.08 -1.26 -4.89 116.67 111.57 2b64 s ASP 47 Ca -0.12 -1.63 0.18 0.00 -0.52 0.00 0.00 52.55 50.46 2b64 s ASP 47 Cb 0.20 -2.30 -0.21 0.00 -1.46 0.00 0.00 42.92 39.14 2b64 s ASP 47 CO 0.78 -1.06 0.73 -2.67 0.52 0.00 0.00 175.17 173.48 2b64 n TRP 48 N 6.13 0.00 -3.81 -5.34 4.27 -1.25 -4.96 117.44 112.48 2b64 n TRP 48 Ca -0.03 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.45 2b64 n TRP 48 Cb 0.44 -0.05 -0.13 0.00 -1.36 0.00 0.00 31.31 30.21 2b64 n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2b64 s LEU 49 N -3.04 1.35 -0.33 5.67 2.96 -1.26 -1.38 118.68 122.64 2b64 s LEU 49 Ca 0.05 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 2b64 s LEU 49 Cb 0.14 0.49 0.14 0.00 0.50 0.00 0.00 46.19 47.45 2b64 s LEU 49 CO 0.76 -0.06 0.28 -0.75 -1.32 0.00 0.00 176.35 175.25 2b64 s LYS 50 N 0.21 0.45 -0.15 1.98 2.20 -0.68 -5.02 119.74 118.74 2b64 s LYS 50 Ca -0.01 -0.68 -0.13 0.00 -0.36 0.00 0.00 55.97 54.80 2b64 s LYS 50 Cb -0.02 -0.89 -0.05 0.00 -1.51 0.00 0.00 37.83 35.36 2b64 s LYS 50 CO -0.01 -1.12 0.26 0.08 -0.36 0.00 0.00 175.35 174.20 2b64 s VAL 51 N 1.76 5.32 -0.32 4.02 1.01 -1.26 -2.33 120.40 128.60 2b64 s VAL 51 Ca 0.13 0.48 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 2b64 s VAL 51 Cb -0.17 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2b64 s VAL 51 CO -0.17 0.44 1.35 -0.62 0.00 0.00 0.00 175.10 176.10 2b64 s ASP 52 N 0.15 6.57 0.36 3.32 3.68 0.24 -4.90 116.67 126.08 2b64 s ASP 52 Ca 0.16 1.15 0.17 0.00 2.13 0.00 0.00 52.55 56.15 2b64 s ASP 52 Cb -0.13 -2.54 0.62 0.00 -1.45 0.00 0.00 42.92 39.43 2b64 s ASP 52 CO 0.04 -1.18 1.71 -0.37 0.13 0.00 0.00 175.17 175.50 2b64 h VAL 53 N 6.10 0.98 0.02 1.11 -1.51 -1.92 -2.37 116.25 118.65 2b64 h VAL 53 Ca -0.27 -1.61 -0.38 0.00 -1.23 0.00 0.00 66.70 63.21 2b64 h VAL 53 Cb 1.10 1.96 -0.06 0.00 -2.13 0.00 0.00 31.29 32.16 2b64 h VAL 53 CO 1.04 0.41 -2.37 1.21 -1.23 0.00 0.00 177.57 176.63 2b64 n GLU 54 N -3.59 0.67 0.17 5.19 4.07 -1.26 -3.03 120.64 122.87 2b64 n GLU 54 Ca -0.00 0.14 0.13 0.00 -0.06 0.00 0.00 57.16 57.37 2b64 n GLU 54 Cb 0.52 -1.55 0.54 0.00 -0.06 0.00 0.00 31.44 30.89 2b64 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2b64 h ARG 55 N 0.01 0.00 0.13 5.31 2.47 -1.97 -1.83 114.38 118.50 2b64 h ARG 55 Ca -0.54 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 57.84 2b64 h ARG 55 Cb 1.99 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.30 2b64 h ARG 55 CO -0.04 0.00 -1.71 0.00 0.56 0.00 0.00 179.97 178.78 2b64 h ALA 56 N 2.21 0.31 -0.05 0.04 0.00 -1.60 -3.35 119.26 116.83 2b64 h ALA 56 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 54.91 53.71 2b64 h ALA 56 Cb 0.43 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2b64 h ALA 56 CO 0.00 1.18 0.06 0.00 0.00 0.00 0.00 179.25 180.48 2b64 h ARG 57 N 0.08 0.00 0.15 0.00 2.47 -1.26 -1.68 114.38 114.13 2b64 h ARG 57 Ca -0.32 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.10 2b64 h ARG 57 Cb 2.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.37 2b64 h ARG 57 CO 0.15 0.00 -1.47 -0.92 0.56 0.00 0.00 179.97 178.28 2b64 h TYR 58 N 0.00 0.57 0.00 3.04 5.03 -1.59 -2.97 116.97 121.05 2b64 h TYR 58 Ca 0.02 -0.42 0.00 0.00 2.58 0.00 0.00 58.73 60.92 2b64 h TYR 58 Cb 0.13 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.39 2b64 h TYR 58 CO 0.00 1.41 0.00 0.91 -1.32 0.00 0.00 178.16 179.16 2b64 n TRP 59 N -3.53 0.00 -0.11 -3.82 7.02 -0.72 -3.30 117.44 112.98 2b64 n TRP 59 Ca -0.15 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.18 2b64 n TRP 59 Cb 1.05 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.82 2b64 n TRP 59 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2b64 n LEU 60 N -0.91 2.34 -0.12 -0.99 4.77 -0.71 -2.73 117.00 118.64 2b64 n LEU 60 Ca 0.17 -0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 55.98 2b64 n LEU 60 Cb 0.08 -0.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.61 2b64 n LEU 60 CO 0.13 0.81 0.68 0.77 -1.33 0.00 0.00 177.39 178.44 2b64 h SER 61 N 0.00 -0.90 -3.38 -1.43 4.64 -1.51 -3.26 113.55 107.71 2b64 h SER 61 Ca -0.53 0.18 -0.55 0.00 -0.47 0.00 0.00 61.79 60.41 2b64 h SER 61 Cb 1.90 0.45 -0.04 0.00 -0.31 0.00 0.00 62.40 64.39 2b64 h SER 61 CO -0.06 -0.28 0.18 0.68 -0.87 0.00 0.00 176.83 176.48 2b64 s VAL 62 N -6.07 4.99 -0.41 0.95 -7.23 -1.25 -4.97 120.40 106.42 2b64 s VAL 62 Ca -0.15 1.64 -0.19 0.00 -1.81 0.00 0.00 61.98 61.48 2b64 s VAL 62 Cb 0.14 -4.13 -0.19 0.00 0.56 0.00 0.00 36.38 32.76 2b64 s VAL 62 CO 0.69 0.22 1.69 0.61 -0.31 0.00 0.00 175.10 178.00 2b64 n GLY 63 N 3.04 1.82 3.56 2.32 0.00 -1.23 -4.74 105.19 109.96 2b64 n GLY 63 Ca 0.01 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 2b64 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b64 s ALA 64 N 5.41 2.32 0.29 4.61 0.00 -1.11 -4.91 121.76 128.38 2b64 s ALA 64 Ca 0.49 -1.58 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 2b64 s ALA 64 Cb 0.11 -4.44 -0.11 0.00 0.00 0.00 0.00 23.12 18.68 2b64 s ALA 64 CO 0.15 -3.95 1.50 -1.14 0.00 0.00 0.00 175.76 172.33 2b64 s GLN 65 N 6.08 4.19 0.59 0.00 2.00 -1.06 -4.19 119.66 127.27 2b64 s GLN 65 Ca 0.54 2.46 -0.05 0.00 -2.00 0.00 0.00 55.36 56.32 2b64 s GLN 65 Cb -0.06 -3.05 0.02 0.00 0.80 0.00 0.00 33.01 30.72 2b64 s GLN 65 CO 0.03 -0.51 0.88 -1.25 -0.50 0.00 0.00 175.29 173.94 2b64 s PRO 66 N -0.82 2.78 0.72 1.67 0.05 -1.26 -0.12 135.00 138.02 2b64 s PRO 66 Ca 0.59 -0.18 -0.11 0.00 0.05 0.00 0.00 61.00 61.34 2b64 s PRO 66 Cb -0.45 -2.31 0.02 0.00 0.05 0.00 0.00 34.50 31.81 2b64 s PRO 66 CO 0.49 -0.74 1.10 0.99 0.05 0.00 0.00 177.00 178.90 2b64 s THR 67 N -2.95 3.36 0.45 1.26 2.01 0.08 -4.82 115.64 115.03 2b64 s THR 67 Ca 0.54 0.44 0.13 0.00 0.31 0.00 0.00 61.69 63.12 2b64 s THR 67 Cb -0.10 -3.42 0.20 0.00 0.01 0.00 0.00 72.50 69.19 2b64 s THR 67 CO 0.43 -0.58 2.02 0.44 -0.69 0.00 0.00 174.62 176.24 2b64 h ASP 68 N -0.71 0.08 0.21 3.53 5.19 -1.99 -2.19 116.42 120.54 2b64 h ASP 68 Ca -0.45 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2b64 h ASP 68 Cb 1.26 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.75 2b64 h ASP 68 CO 0.64 0.19 -0.41 0.35 -3.12 0.00 0.00 179.24 176.89 2b64 n THR 69 N -4.37 0.00 -0.06 0.35 -2.24 -1.26 -3.61 114.28 103.09 2b64 n THR 69 Ca -0.02 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 2b64 n THR 69 Cb 0.20 0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 68.91 2b64 n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b64 n ALA 70 N -0.74 0.89 0.01 6.98 0.00 -0.95 -3.42 120.51 123.28 2b64 n ALA 70 Ca 0.10 -0.61 0.03 0.00 0.00 0.00 0.00 53.44 52.96 2b64 n ALA 70 Cb 0.37 -0.55 0.38 0.00 0.00 0.00 0.00 19.45 19.66 2b64 n ALA 70 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2b64 h ARG 71 N -0.45 0.52 -0.51 0.00 2.43 -1.58 -0.99 114.38 113.79 2b64 h ARG 71 Ca -0.42 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 58.59 2b64 h ARG 71 Cb 1.69 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 31.12 2b64 h ARG 71 CO -0.08 0.42 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.64 2b64 h ARG 72 N 0.52 0.92 -0.00 0.20 2.43 -1.74 -2.89 114.38 113.82 2b64 h ARG 72 Ca 0.13 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2b64 h ARG 72 Cb 0.08 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2b64 h ARG 72 CO -0.02 0.95 -0.01 1.28 -1.51 0.00 0.00 179.97 180.67 2b64 n LEU 73 N -4.17 0.12 -0.11 3.80 4.77 -0.45 -2.32 117.00 118.64 2b64 n LEU 73 Ca 0.02 0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 2b64 n LEU 73 Cb 0.36 -0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.25 2b64 n LEU 73 CO 0.44 0.02 -1.22 0.18 -1.33 0.00 0.00 177.39 175.47 2b64 n LEU 74 N -0.99 1.84 0.06 2.23 4.77 -0.77 -3.47 117.00 120.68 2b64 n LEU 74 Ca 0.21 -0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 56.06 2b64 n LEU 74 Cb 0.17 -0.34 0.16 0.00 -2.33 0.00 0.00 43.42 41.07 2b64 n LEU 74 CO 0.19 0.74 0.58 -0.09 -1.33 0.00 0.00 177.39 177.48 2b64 h ARG 75 N 0.00 0.33 0.02 3.23 2.43 -1.51 0.36 114.38 119.24 2b64 h ARG 75 Ca -0.53 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.46 2b64 h ARG 75 Cb 1.96 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 2b64 h ARG 75 CO -0.04 0.74 -0.01 0.37 -1.51 0.00 0.00 179.97 179.51 2b64 h GLN 76 N 0.27 -0.03 0.00 0.20 4.15 -1.68 -3.23 115.11 114.79 2b64 h GLN 76 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2b64 h GLN 76 Cb 0.93 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.63 2b64 h GLN 76 CO 0.08 0.33 0.00 0.00 -1.93 0.00 0.00 178.83 177.31 2b64 n ALA 77 N -2.29 2.07 -0.76 3.38 0.00 -1.13 -4.92 120.51 116.86 2b64 n ALA 77 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2b64 n ALA 77 Cb 0.20 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2b64 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b64 n GLY 78 N 0.58 0.77 0.01 0.00 0.00 0.54 -4.94 105.19 102.14 2b64 n GLY 78 Ca 0.09 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.67 2b64 n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2b64 n VAL 79 N -0.60 0.00 -0.01 1.61 0.31 0.96 -4.62 118.33 115.97 2b64 n VAL 79 Ca 0.00 -0.42 0.06 0.00 -0.01 0.00 0.00 64.34 63.97 2b64 n VAL 79 Cb 0.23 1.01 -0.11 0.00 -0.91 0.00 0.00 33.84 34.05 2b64 n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2b64 n PHE 80 N -0.99 0.00 -1.54 3.52 3.01 -1.26 -4.93 117.46 115.27 2b64 n PHE 80 Ca 0.01 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.17 2b64 n PHE 80 Cb 0.06 -0.37 -0.07 0.00 -0.01 0.00 0.00 39.48 39.09 2b64 n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2b64 n ARG 81 N -2.05 0.70 0.05 -1.08 0.63 -1.26 -4.79 116.66 108.86 2b64 n ARG 81 Ca -0.05 -0.22 -0.22 0.00 -0.92 0.00 0.00 57.85 56.44 2b64 n ARG 81 Cb 0.44 -3.08 -0.15 0.00 0.45 0.00 0.00 32.46 30.12 2b64 n ARG 81 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 2b64 h GLN 82 N 16.26 0.34 0.00 -0.14 3.07 -1.98 -3.52 115.11 129.14 2b64 h GLN 82 Ca -0.13 -0.58 0.00 0.00 0.09 0.00 0.00 58.65 58.03 2b64 h GLN 82 Cb 1.20 0.21 0.00 0.00 0.08 0.00 0.00 27.48 28.97 2b64 h GLN 82 CO 1.18 1.28 0.00 0.39 0.09 0.00 0.00 178.83 181.77