#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 s VAL 2 N 0.00 3.17 -0.03 1.12 0.11 -1.26 -2.80 120.40 120.72 3i21 s VAL 2 Ca 0.00 0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 59.42 3i21 s VAL 2 Cb 0.00 -3.25 0.02 0.00 -1.53 0.00 0.00 36.38 31.62 3i21 s VAL 2 CO 0.00 -0.02 0.06 0.28 -3.33 0.00 0.00 175.10 172.09 3i21 s THR 3 N 3.66 -0.03 -0.29 5.04 -1.32 0.22 -1.78 115.64 121.14 3i21 s THR 3 Ca 0.79 0.11 -0.27 0.00 -1.21 0.00 0.00 61.69 61.11 3i21 s THR 3 Cb -0.39 -0.11 0.01 0.00 -1.51 0.00 0.00 72.50 70.50 3i21 s THR 3 CO 0.34 0.04 0.95 -0.63 -2.21 0.00 0.00 174.62 173.12 3i21 s ILE 4 N 0.60 4.67 0.23 5.08 1.09 -1.09 -2.46 121.20 129.32 3i21 s ILE 4 Ca -0.05 1.60 -0.17 0.00 -1.10 0.00 0.00 60.65 60.93 3i21 s ILE 4 Cb -0.07 -4.28 0.01 0.00 -1.06 0.00 0.00 42.46 37.07 3i21 s ILE 4 CO -0.02 -0.31 0.55 0.00 -0.10 0.00 0.00 174.94 175.06 3i21 s ARG 5 N 3.26 1.53 -0.00 2.79 1.70 -1.08 -1.22 118.95 125.93 3i21 s ARG 5 Ca 0.40 -1.03 0.08 0.00 -0.47 0.00 0.00 55.73 54.71 3i21 s ARG 5 Cb -0.14 0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 3i21 s ARG 5 CO 0.12 -0.66 -0.25 -0.48 -1.08 0.00 0.00 175.30 172.95 3i21 s LEU 6 N -2.93 2.08 -0.11 -1.89 0.05 -1.26 0.13 118.68 114.74 3i21 s LEU 6 Ca 0.14 -0.48 -0.01 0.00 0.05 0.00 0.00 54.13 53.83 3i21 s LEU 6 Cb -0.02 -1.25 -0.03 0.00 -2.05 0.00 0.00 46.19 42.84 3i21 s LEU 6 CO 0.04 0.29 -0.06 0.00 -0.55 0.00 0.00 176.35 176.06 3i21 s ALA 7 N -0.63 2.96 0.41 1.48 0.00 -1.21 -4.84 121.76 119.92 3i21 s ALA 7 Ca 0.10 -0.85 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 3i21 s ALA 7 Cb -0.10 -1.38 -0.09 0.00 0.00 0.00 0.00 23.12 21.56 3i21 s ALA 7 CO -0.00 0.38 1.34 0.50 0.00 0.00 0.00 175.76 177.98 3i21 s ARG 8 N -0.18 3.94 0.00 0.00 3.52 -1.26 -2.07 118.95 122.90 3i21 s ARG 8 Ca 0.03 2.23 0.00 0.00 -0.13 0.00 0.00 55.73 57.86 3i21 s ARG 8 Cb -0.13 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 3i21 s ARG 8 CO 0.03 -0.54 0.00 0.72 -0.81 0.00 0.00 175.30 174.69 3i21 n HIS 9 N 0.12 0.00 0.00 5.12 8.25 0.50 -4.84 115.22 124.37 3i21 n HIS 9 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3i21 n HIS 9 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 3i21 n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i21 n GLY 10 N 0.00 3.70 3.37 -1.41 0.00 -1.24 -3.63 105.19 105.98 3i21 n GLY 10 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3i21 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i21 s ALA 11 N -1.48 -0.03 0.10 4.61 0.00 -0.94 -4.94 121.76 119.08 3i21 s ALA 11 Ca 0.00 -0.88 -0.36 0.00 0.00 0.00 0.00 51.96 50.72 3i21 s ALA 11 Cb 0.00 0.91 -0.17 0.00 0.00 0.00 0.00 23.12 23.86 3i21 s ALA 11 CO 0.00 -0.68 1.18 1.17 0.00 0.00 0.00 175.76 177.44 3i21 n LYS 12 N -0.24 0.82 -1.35 0.00 4.81 -1.26 0.04 118.16 120.97 3i21 n LYS 12 Ca -0.06 0.29 -0.13 0.00 -0.87 0.00 0.00 58.31 57.54 3i21 n LYS 12 Cb 0.63 -1.83 -0.06 0.00 0.02 0.00 0.00 35.03 33.79 3i21 n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i21 n LYS 13 N 1.99 -1.53 -2.94 1.64 4.76 -1.26 -4.77 118.16 116.04 3i21 n LYS 13 Ca 0.18 0.89 -0.14 0.00 -2.87 0.00 0.00 58.31 56.37 3i21 n LYS 13 Cb 0.18 -5.18 0.03 0.00 -1.84 0.00 0.00 35.03 28.22 3i21 n LYS 13 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i21 n ARG 14 N -1.45 0.94 -0.62 1.97 1.74 0.11 -5.16 116.66 114.19 3i21 n ARG 14 Ca -0.13 -2.54 -0.31 0.00 -0.77 0.00 0.00 57.85 54.10 3i21 n ARG 14 Cb 0.54 -1.34 0.19 0.00 -1.02 0.00 0.00 32.46 30.83 3i21 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3i21 n PRO 15 N 0.59 -1.47 -3.40 5.56 -0.04 -1.14 -2.22 135.00 132.88 3i21 n PRO 15 Ca 0.15 -0.39 0.02 0.00 -0.04 0.00 0.00 63.50 63.23 3i21 n PRO 15 Cb 0.66 -2.04 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 3i21 n PRO 15 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3i21 s PHE 16 N -2.41 -1.21 0.11 0.54 2.19 -1.24 -4.76 117.98 111.22 3i21 s PHE 16 Ca 0.63 1.74 -0.05 0.00 0.33 0.00 0.00 56.93 59.58 3i21 s PHE 16 Cb -0.21 0.60 -0.05 0.00 -1.31 0.00 0.00 43.02 42.04 3i21 s PHE 16 CO 0.64 -0.62 0.36 0.71 1.83 0.00 0.00 175.22 178.14 3i21 s TYR 17 N 2.80 3.50 -0.44 10.12 1.51 -0.31 -0.37 117.35 134.16 3i21 s TYR 17 Ca 0.03 0.57 0.03 0.00 -1.01 0.00 0.00 57.07 56.69 3i21 s TYR 17 Cb -0.11 -2.01 0.12 0.00 -0.11 0.00 0.00 41.96 39.85 3i21 s TYR 17 CO -0.18 0.47 0.19 -0.65 -1.11 0.00 0.00 175.55 174.27 3i21 s GLN 18 N -2.46 1.56 0.09 -0.62 -0.21 -0.88 -0.22 119.66 116.94 3i21 s GLN 18 Ca 0.38 -2.15 -0.35 0.00 0.02 0.00 0.00 55.36 53.27 3i21 s GLN 18 Cb -0.13 -2.91 -0.14 0.00 1.00 0.00 0.00 33.01 30.83 3i21 s GLN 18 CO 0.23 -1.07 1.56 1.55 -2.12 0.00 0.00 175.29 175.44 3i21 n VAL 19 N 3.65 0.08 -3.73 1.09 3.14 -1.22 -3.36 118.33 117.97 3i21 n VAL 19 Ca 0.05 -0.01 -0.12 0.00 -2.96 0.00 0.00 64.34 61.29 3i21 n VAL 19 Cb 0.36 -1.37 -0.11 0.00 -1.06 0.00 0.00 33.84 31.66 3i21 n VAL 19 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3i21 s VAL 20 N 1.28 -0.01 0.09 1.55 0.11 0.35 -2.77 120.40 121.01 3i21 s VAL 20 Ca 0.83 0.04 -0.31 0.00 -2.93 0.00 0.00 61.98 59.61 3i21 s VAL 20 Cb -0.77 -0.52 -0.09 0.00 -1.53 0.00 0.00 36.38 33.47 3i21 s VAL 20 CO 0.43 0.02 1.64 -0.69 -3.33 0.00 0.00 175.10 173.16 3i21 s VAL 21 N 0.60 2.91 0.35 2.04 1.01 -1.02 -2.64 120.40 123.66 3i21 s VAL 21 Ca -0.03 0.46 -0.14 0.00 0.00 0.00 0.00 61.98 62.26 3i21 s VAL 21 Cb -0.05 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 33.08 3i21 s VAL 21 CO -0.04 0.01 0.71 0.00 0.00 0.00 0.00 175.10 175.78 3i21 s ALA 22 N 2.28 -0.53 -0.35 5.51 0.00 -1.03 0.05 121.76 127.69 3i21 s ALA 22 Ca 0.73 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.76 3i21 s ALA 22 Cb -0.41 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.52 3i21 s ALA 22 CO 0.32 -0.95 0.21 0.34 0.00 0.00 0.00 175.76 175.68 3i21 s ASP 23 N -3.07 5.82 0.00 0.00 -1.08 -1.26 -0.61 116.67 116.48 3i21 s ASP 23 Ca 0.18 -0.67 0.07 0.00 -0.52 0.00 0.00 52.55 51.61 3i21 s ASP 23 Cb -0.04 -2.07 0.32 0.00 -1.46 0.00 0.00 42.92 39.67 3i21 s ASP 23 CO 0.12 -0.29 1.09 -1.54 0.52 0.00 0.00 175.17 175.07 3i21 n SER 24 N 5.05 0.00 -1.16 -0.34 3.41 -1.12 -2.26 113.62 117.20 3i21 n SER 24 Ca -0.13 0.25 -0.04 0.00 -0.26 0.00 0.00 58.87 58.69 3i21 n SER 24 Cb 0.48 -0.32 0.05 0.00 -0.26 0.00 0.00 64.21 64.16 3i21 n SER 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i21 n ARG 25 N -1.32 1.41 -2.04 4.33 1.74 -1.26 -4.85 116.66 114.67 3i21 n ARG 25 Ca 0.03 -0.67 -0.00 0.00 -0.77 0.00 0.00 57.85 56.43 3i21 n ARG 25 Cb 0.06 -1.36 -0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3i21 n ARG 25 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i21 n ASN 26 N 0.14 1.73 -4.88 0.55 5.03 -0.96 -5.15 115.26 111.72 3i21 n ASN 26 Ca 0.12 -1.03 -0.30 0.00 0.87 0.00 0.00 54.58 54.23 3i21 n ASN 26 Cb 0.69 0.01 0.01 0.00 -1.02 0.00 0.00 39.78 39.47 3i21 n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i21 s ALA 27 N -2.01 3.18 0.00 5.41 0.00 -1.26 -4.98 121.76 122.09 3i21 s ALA 27 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3i21 s ALA 27 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.18 3i21 s ALA 27 CO 0.00 -0.61 0.57 -2.13 0.00 0.00 0.00 175.76 173.59 3i21 n ARG 28 N -2.62 0.00 0.00 0.00 0.63 -1.26 -2.31 116.66 111.10 3i21 n ARG 28 Ca 0.04 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.22 3i21 n ARG 28 Cb 0.54 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 32.38 3i21 n ARG 28 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3i21 n ASN 29 N -0.91 0.17 -3.04 6.15 4.13 -1.26 -4.76 115.26 115.74 3i21 n ASN 29 Ca 0.00 -1.41 0.00 0.00 1.68 0.00 0.00 54.58 54.85 3i21 n ASN 29 Cb 0.00 -0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 3i21 n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i21 n GLY 30 N 0.19 0.45 3.44 7.41 0.00 -0.98 -4.87 105.19 110.84 3i21 n GLY 30 Ca 0.00 -1.50 -0.53 0.00 0.00 0.00 0.00 46.02 43.99 3i21 n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i21 n ARG 31 N 0.00 0.90 -4.28 1.61 0.63 -1.26 -4.92 116.66 109.34 3i21 n ARG 31 Ca 0.00 0.26 -0.31 0.00 -0.92 0.00 0.00 57.85 56.88 3i21 n ARG 31 Cb 0.00 -2.24 -0.16 0.00 0.45 0.00 0.00 32.46 30.51 3i21 n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3i21 s PHE 32 N 6.56 2.46 0.10 -0.14 -0.12 -1.26 -4.37 117.98 121.21 3i21 s PHE 32 Ca 1.10 -1.34 -0.27 0.00 -0.05 0.00 0.00 56.93 56.37 3i21 s PHE 32 Cb -1.00 -1.73 -0.09 0.00 -0.63 0.00 0.00 43.02 39.57 3i21 s PHE 32 CO 0.54 -0.67 1.44 0.82 -0.05 0.00 0.00 175.22 177.30 3i21 h ILE 33 N 5.95 0.00 -2.39 -4.49 2.04 -0.73 -3.44 117.51 114.44 3i21 h ILE 33 Ca -0.38 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 3i21 h ILE 33 Cb 1.16 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 37.02 3i21 h ILE 33 CO 0.56 0.00 -0.05 -1.83 0.00 0.00 0.00 178.15 176.84 3i21 s GLU 34 N -5.12 0.70 0.09 2.37 -1.05 -1.13 -5.03 118.70 109.53 3i21 s GLU 34 Ca -0.12 0.64 -0.31 0.00 -0.15 0.00 0.00 54.97 55.04 3i21 s GLU 34 Cb 0.07 0.34 -0.08 0.00 -0.44 0.00 0.00 34.13 34.02 3i21 s GLU 34 CO 0.49 -0.11 1.40 0.50 0.95 0.00 0.00 175.26 178.49 3i21 s ARG 35 N 0.01 4.31 -0.38 -4.83 3.00 -1.26 -2.42 118.95 117.37 3i21 s ARG 35 Ca -0.02 2.06 0.10 0.00 -1.00 0.00 0.00 55.73 56.87 3i21 s ARG 35 Cb -0.04 -3.31 0.31 0.00 0.00 0.00 0.00 34.95 31.91 3i21 s ARG 35 CO 0.02 -0.47 0.67 1.55 0.00 0.00 0.00 175.30 177.08 3i21 n VAL 36 N 4.09 -0.35 0.00 7.11 3.14 -1.11 -4.94 118.33 126.26 3i21 n VAL 36 Ca 0.12 -4.19 0.00 0.00 -2.96 0.00 0.00 64.34 57.31 3i21 n VAL 36 Cb 0.42 -0.77 0.00 0.00 -1.06 0.00 0.00 33.84 32.44 3i21 n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i21 n GLY 37 N 0.73 -1.66 3.52 7.55 0.00 -1.22 -4.53 105.19 109.57 3i21 n GLY 37 Ca 0.22 -2.15 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 3i21 n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i21 s PHE 38 N -0.31 -0.34 -0.01 1.61 -0.12 -0.86 -3.43 117.98 114.52 3i21 s PHE 38 Ca 0.00 0.18 0.00 0.00 -0.05 0.00 0.00 56.93 57.07 3i21 s PHE 38 Cb 0.00 0.55 0.01 0.00 -0.63 0.00 0.00 43.02 42.95 3i21 s PHE 38 CO 0.00 -0.60 -0.00 0.12 -0.05 0.00 0.00 175.22 174.68 3i21 s PHE 39 N -3.20 0.17 -0.08 3.49 5.36 0.70 -2.92 117.98 121.49 3i21 s PHE 39 Ca 0.05 0.01 -0.02 0.00 -0.96 0.00 0.00 56.93 56.01 3i21 s PHE 39 Cb -0.01 -0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.50 3i21 s PHE 39 CO -0.08 -0.05 0.03 1.21 -1.46 0.00 0.00 175.22 174.87 3i21 s ASN 40 N 0.45 1.60 -0.04 6.13 2.47 -1.07 -1.16 114.94 123.32 3i21 s ASN 40 Ca -0.04 -0.13 -0.02 0.00 0.42 0.00 0.00 52.86 53.09 3i21 s ASN 40 Cb -0.06 -0.33 -0.05 0.00 -1.45 0.00 0.00 41.25 39.35 3i21 s ASN 40 CO -0.01 -0.23 2.46 -2.65 -3.72 0.00 0.00 177.10 172.94 3i21 n PRO 41 N 5.20 1.38 0.00 0.43 -0.02 -1.26 -4.57 135.00 136.16 3i21 n PRO 41 Ca -0.06 -0.48 0.00 0.00 -2.02 0.00 0.00 63.50 60.94 3i21 n PRO 41 Cb 0.50 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 3i21 n PRO 41 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i21 n ILE 42 N 1.64 0.00 -4.78 4.25 2.08 -1.26 -5.12 119.36 116.17 3i21 n ILE 42 Ca 0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.47 3i21 n ILE 42 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.51 3i21 n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i21 n ALA 43 N -3.00 0.00 -2.41 -1.39 0.00 -1.26 -4.70 120.51 107.75 3i21 n ALA 43 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3i21 n ALA 43 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3i21 n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i21 n SER 44 N -2.11 1.06 -1.55 0.00 7.64 -1.26 -4.97 113.62 112.43 3i21 n SER 44 Ca 0.00 -2.17 -0.20 0.00 1.01 0.00 0.00 58.87 57.50 3i21 n SER 44 Cb 0.00 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 62.79 3i21 n SER 44 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i21 n GLU 45 N 0.35 -1.41 0.00 1.43 1.02 -1.26 -4.93 120.64 115.84 3i21 n GLU 45 Ca 0.07 1.21 0.00 0.00 -0.02 0.00 0.00 57.16 58.42 3i21 n GLU 45 Cb 1.10 -5.57 0.00 0.00 -0.02 0.00 0.00 31.44 26.96 3i21 n GLU 45 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i21 n LYS 46 N -2.41 0.70 0.00 3.49 -0.00 -1.26 -5.02 118.16 113.67 3i21 n LYS 46 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 3i21 n LYS 46 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.69 3i21 n LYS 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3i21 n GLU 47 N 0.00 0.00 0.00 -1.58 -0.58 -1.26 -4.87 120.64 112.35 3i21 n GLU 47 Ca 0.00 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 3i21 n GLU 47 Cb 0.00 -0.76 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 3i21 n GLU 47 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3i21 n GLU 48 N -0.73 2.46 0.00 3.49 2.13 -1.26 -5.04 120.64 121.69 3i21 n GLU 48 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3i21 n GLU 48 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3i21 n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i21 n GLY 49 N 4.89 1.27 3.62 8.31 0.00 -1.26 -4.74 105.19 117.28 3i21 n GLY 49 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 3i21 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i21 s THR 50 N 0.00 -0.34 0.27 2.61 2.01 -1.26 -2.60 115.64 116.32 3i21 s THR 50 Ca 0.00 0.00 0.12 0.00 0.31 0.00 0.00 61.69 62.12 3i21 s THR 50 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 3i21 s THR 50 CO 0.00 0.00 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.13 3i21 s ARG 51 N 2.04 1.65 0.03 4.92 6.06 -1.15 -5.02 118.95 127.48 3i21 s ARG 51 Ca -0.08 -1.73 0.00 0.00 -2.50 0.00 0.00 55.73 51.42 3i21 s ARG 51 Cb -0.07 -1.76 0.00 0.00 0.06 0.00 0.00 34.95 33.19 3i21 s ARG 51 CO -0.19 0.33 0.00 -0.11 -2.50 0.00 0.00 175.30 172.84 3i21 n LEU 52 N -0.51 0.28 -0.99 -0.88 7.94 -1.26 -2.03 117.00 119.55 3i21 n LEU 52 Ca -0.06 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3i21 n LEU 52 Cb 0.60 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.47 3i21 n LEU 52 CO 0.37 -0.23 0.00 0.47 -1.11 0.00 0.00 177.39 176.89 3i21 n ASP 53 N -3.11 -1.66 0.00 1.96 8.00 -1.26 -3.46 116.55 117.02 3i21 n ASP 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3i21 n ASP 53 Cb 0.34 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3i21 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i21 n LEU 54 N -0.99 0.00 -0.33 0.64 -0.00 -1.26 -1.74 117.00 113.33 3i21 n LEU 54 Ca 0.00 0.09 0.25 0.00 -0.00 0.00 0.00 56.01 56.35 3i21 n LEU 54 Cb 0.42 0.00 0.47 0.00 -0.00 0.00 0.00 43.42 44.31 3i21 n LEU 54 CO 0.00 0.00 0.98 -2.24 -0.00 0.00 0.00 177.39 176.13 3i21 h ASP 55 N 0.00 0.08 -0.02 1.45 3.04 -1.99 0.28 116.42 119.25 3i21 h ASP 55 Ca 0.00 0.26 -0.03 0.00 -3.24 0.00 0.00 57.03 54.01 3i21 h ASP 55 Cb 0.00 0.32 -0.01 0.00 -1.04 0.00 0.00 39.33 38.60 3i21 h ASP 55 CO 0.00 -0.37 -0.06 0.03 -2.04 0.00 0.00 179.24 176.80 3i21 h ARG 56 N 0.04 0.21 0.47 4.15 2.47 -1.72 0.10 114.38 120.11 3i21 h ARG 56 Ca 0.75 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 59.41 3i21 h ARG 56 Cb 1.83 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 30.12 3i21 h ARG 56 CO -0.80 0.29 -0.22 0.82 0.56 0.00 0.00 179.97 180.62 3i21 h ILE 57 N 0.21 0.39 -0.02 2.04 1.08 -0.48 -2.81 117.51 117.92 3i21 h ILE 57 Ca 0.05 -0.48 0.01 0.00 -0.39 0.00 0.00 64.86 64.04 3i21 h ILE 57 Cb 0.24 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.55 3i21 h ILE 57 CO 0.01 0.06 0.15 0.00 -0.69 0.00 0.00 178.15 177.68 3i21 h ALA 58 N -0.67 1.23 0.60 1.87 0.00 -1.41 -0.37 119.26 120.51 3i21 h ALA 58 Ca -0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3i21 h ALA 58 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3i21 h ALA 58 CO 0.11 -0.16 -0.29 1.25 0.00 0.00 0.00 179.25 180.16 3i21 h HIS 59 N 0.00 -0.75 -0.02 0.00 6.17 -0.54 0.11 115.15 120.12 3i21 h HIS 59 Ca 0.01 -0.02 -0.23 0.00 0.71 0.00 0.00 60.37 60.85 3i21 h HIS 59 Cb 0.30 0.25 0.02 0.00 2.52 0.00 0.00 27.41 30.50 3i21 h HIS 59 CO 0.00 -0.45 -0.88 -1.49 0.71 0.00 0.00 177.93 175.82 3i21 h TRP 60 N -0.85 0.92 -0.83 5.26 4.06 -0.96 -2.19 115.95 121.36 3i21 h TRP 60 Ca -0.08 -0.49 0.00 0.00 2.06 0.00 0.00 58.89 60.38 3i21 h TRP 60 Cb 0.64 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.65 3i21 h TRP 60 CO -0.02 1.32 0.52 0.28 -3.56 0.00 0.00 178.44 176.97 3i21 h VAL 61 N 0.26 1.22 0.00 1.49 2.07 -1.40 0.29 116.25 120.19 3i21 h VAL 61 Ca -0.10 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3i21 h VAL 61 Cb 1.54 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3i21 h VAL 61 CO 0.17 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.60 3i21 n GLY 62 N -1.33 -0.80 0.11 2.17 0.00 0.38 -2.23 105.19 103.48 3i21 n GLY 62 Ca 0.09 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.11 3i21 n GLY 62 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i21 n GLN 63 N -0.62 1.43 -1.56 1.61 7.27 0.94 -4.98 117.38 121.47 3i21 n GLN 63 Ca 0.05 -1.61 -0.00 0.00 0.07 0.00 0.00 57.00 55.51 3i21 n GLN 63 Cb 0.02 -1.00 -0.00 0.00 2.41 0.00 0.00 30.24 31.67 3i21 n GLN 63 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i21 n GLY 64 N -0.65 -2.98 3.64 1.69 0.00 -0.66 -5.01 105.19 101.22 3i21 n GLY 64 Ca 0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 3i21 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i21 s ALA 65 N -0.06 -2.10 1.19 4.61 0.00 -1.24 -4.81 121.76 119.35 3i21 s ALA 65 Ca -0.01 2.02 -0.13 0.00 0.00 0.00 0.00 51.96 53.84 3i21 s ALA 65 Cb 0.00 -1.56 0.30 0.00 0.00 0.00 0.00 23.12 21.86 3i21 s ALA 65 CO 0.04 -0.28 1.02 0.99 0.00 0.00 0.00 175.76 177.53 3i21 s THR 66 N 0.71 2.00 -0.26 0.00 2.01 -0.74 -4.65 115.64 114.71 3i21 s THR 66 Ca -0.02 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 3i21 s THR 66 Cb -0.04 -2.03 0.14 0.00 0.01 0.00 0.00 72.50 70.58 3i21 s THR 66 CO -0.10 -0.00 0.38 -0.51 -0.69 0.00 0.00 174.62 173.69 3i21 s ILE 67 N -2.42 -0.58 0.19 1.82 2.07 -1.26 -2.67 121.20 118.34 3i21 s ILE 67 Ca 0.69 -0.20 -0.27 0.00 -1.41 0.00 0.00 60.65 59.46 3i21 s ILE 67 Cb -0.25 -0.89 -0.16 0.00 0.13 0.00 0.00 42.46 41.28 3i21 s ILE 67 CO 0.65 -0.22 0.50 -0.24 -1.91 0.00 0.00 174.94 173.72 3i21 n SER 68 N 5.35 -1.20 -0.30 4.50 2.88 -0.36 -4.64 113.62 119.85 3i21 n SER 68 Ca -0.02 1.08 -0.04 0.00 -1.33 0.00 0.00 58.87 58.56 3i21 n SER 68 Cb 0.49 -0.91 0.07 0.00 -0.75 0.00 0.00 64.21 63.12 3i21 n SER 68 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3i21 h ASP 69 N 0.95 0.97 0.12 -3.46 -0.00 -1.98 -0.50 116.42 112.52 3i21 h ASP 69 Ca -0.27 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 56.69 3i21 h ASP 69 Cb 1.38 -0.24 0.00 0.00 -0.00 0.00 0.00 39.33 40.46 3i21 h ASP 69 CO 0.54 0.74 -0.06 -0.09 -0.00 0.00 0.00 179.24 180.38 3i21 h ARG 70 N 1.11 -0.16 -0.35 4.15 9.65 -1.97 0.38 114.38 127.20 3i21 h ARG 70 Ca 0.29 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.17 3i21 h ARG 70 Cb -0.05 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 3i21 h ARG 70 CO -0.06 -0.03 0.19 -0.24 2.80 0.00 0.00 179.97 182.64 3i21 h VAL 71 N -0.25 1.14 -0.05 0.20 3.04 -1.88 -1.96 116.25 116.49 3i21 h VAL 71 Ca -0.02 -0.37 0.01 0.00 -1.01 0.00 0.00 66.70 65.32 3i21 h VAL 71 Cb 0.20 0.74 -0.03 0.00 -2.01 0.00 0.00 31.29 30.19 3i21 h VAL 71 CO 0.03 0.15 -0.29 0.00 -1.01 0.00 0.00 177.57 176.44 3i21 h ALA 72 N 1.06 -0.70 -1.02 3.17 0.00 -0.89 -1.23 119.26 119.64 3i21 h ALA 72 Ca 0.12 -0.04 0.35 0.00 0.00 0.00 0.00 54.91 55.35 3i21 h ALA 72 Cb 0.06 0.79 -0.15 0.00 0.00 0.00 0.00 17.79 18.49 3i21 h ALA 72 CO -0.02 -0.80 0.58 0.00 0.00 0.00 0.00 179.25 179.01 3i21 h ALA 73 N -0.85 2.06 0.33 0.00 0.00 -0.12 0.39 119.26 121.06 3i21 h ALA 73 Ca 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3i21 h ALA 73 Cb 0.37 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i21 h ALA 73 CO -0.22 -0.70 -0.16 -0.07 0.00 0.00 0.00 179.25 178.10 3i21 h LEU 74 N 0.24 -0.37 -0.34 0.00 3.38 -0.49 -2.06 115.31 115.67 3i21 h LEU 74 Ca 0.76 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.76 3i21 h LEU 74 Cb 1.85 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 42.62 3i21 h LEU 74 CO -0.62 -0.19 -0.20 0.40 0.09 0.00 0.00 178.44 177.91 3i21 h ILE 75 N -0.52 0.44 0.00 1.22 2.04 0.72 0.64 117.51 122.04 3i21 h ILE 75 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3i21 h ILE 75 Cb 0.39 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3i21 h ILE 75 CO 0.07 0.00 0.19 0.29 0.00 0.00 0.00 178.15 178.71 3i21 n LYS 76 N -5.37 0.00 -0.00 2.37 4.76 0.54 0.72 118.16 121.18 3i21 n LYS 76 Ca 0.01 0.28 0.02 0.00 -2.87 0.00 0.00 58.31 55.76 3i21 n LYS 76 Cb 0.28 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 31.74 3i21 n LYS 76 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i21 n GLU 77 N -1.27 3.88 -0.33 1.97 1.02 0.20 -4.60 120.64 121.50 3i21 n GLU 77 Ca 0.00 -0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 57.11 3i21 n GLU 77 Cb 0.19 -0.85 -0.03 0.00 -0.02 0.00 0.00 31.44 30.74 3i21 n GLU 77 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i21 n VAL 78 N -1.28 1.14 -4.01 2.62 0.31 0.22 -4.52 118.33 112.82 3i21 n VAL 78 Ca 0.00 -0.41 -0.32 0.00 -0.01 0.00 0.00 64.34 63.60 3i21 n VAL 78 Cb 0.09 -1.42 0.01 0.00 -0.91 0.00 0.00 33.84 31.62 3i21 n VAL 78 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3i21 n ASN 79 N 2.10 -4.18 0.00 4.52 5.15 -1.26 -5.06 115.26 116.54 3i21 n ASN 79 Ca 0.07 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 3i21 n ASN 79 Cb 0.31 -3.53 0.00 0.00 -0.53 0.00 0.00 39.78 36.04 3i21 n ASN 79 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95