#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k52 s ASP 2 N 0.00 0.72 -0.14 6.12 2.15 -1.26 -4.83 116.67 119.43 2k52 s ASP 2 Ca 0.00 -0.50 -0.02 0.00 0.43 0.00 0.00 52.55 52.46 2k52 s ASP 2 Cb 0.00 0.04 -0.02 0.00 -0.30 0.00 0.00 42.92 42.64 2k52 s ASP 2 CO 0.00 -0.20 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.03 2k52 s VAL 3 N -1.28 3.48 0.11 1.11 1.01 -1.26 -5.12 120.40 118.45 2k52 s VAL 3 Ca -0.10 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2k52 s VAL 3 Cb -0.09 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2k52 s VAL 3 CO 0.00 0.51 0.13 -1.61 0.00 0.00 0.00 175.10 174.14 2k52 s GLU 4 N 0.30 3.01 -0.09 2.72 2.02 -1.26 -4.93 118.70 120.47 2k52 s GLU 4 Ca -0.07 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 2k52 s GLU 4 Cb -0.15 -2.76 -0.06 0.00 0.10 0.00 0.00 34.13 31.26 2k52 s GLU 4 CO 0.04 0.54 1.75 -1.25 0.02 0.00 0.00 175.26 176.36 2k52 s PRO 5 N -2.72 4.01 0.00 0.39 0.04 -1.26 -2.37 135.00 133.09 2k52 s PRO 5 Ca 0.31 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2k52 s PRO 5 Cb -0.11 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2k52 s PRO 5 CO 0.24 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2k52 n GLY 6 N 4.46 0.74 3.89 0.56 0.00 0.11 -4.94 105.19 110.00 2k52 n GLY 6 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2k52 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k52 s LYS 7 N -0.51 3.64 -0.19 1.61 -0.14 -1.00 -4.72 119.74 118.43 2k52 s LYS 7 Ca 0.00 0.46 -0.08 0.00 -1.36 0.00 0.00 55.97 54.99 2k52 s LYS 7 Cb 0.00 -2.28 -0.04 0.00 -1.68 0.00 0.00 37.83 33.82 2k52 s LYS 7 CO 0.00 -0.27 0.07 -0.06 -0.76 0.00 0.00 175.35 174.33 2k52 s PHE 8 N -2.77 3.25 0.07 3.18 0.40 -1.26 -1.19 117.98 119.66 2k52 s PHE 8 Ca 0.51 0.06 -0.13 0.00 -0.60 0.00 0.00 56.93 56.77 2k52 s PHE 8 Cb -0.10 -2.10 0.02 0.00 0.51 0.00 0.00 43.02 41.34 2k52 s PHE 8 CO 0.43 0.12 0.29 0.71 0.70 0.00 0.00 175.22 177.47 2k52 s TYR 9 N 0.50 -0.05 0.15 0.36 2.02 -0.70 -5.03 117.35 114.59 2k52 s TYR 9 Ca 0.04 -0.20 -0.21 0.00 -0.37 0.00 0.00 57.07 56.32 2k52 s TYR 9 Cb -0.13 0.09 -0.08 0.00 -0.40 0.00 0.00 41.96 41.45 2k52 s TYR 9 CO 0.01 -0.56 0.68 0.21 -1.57 0.00 0.00 175.55 174.32 2k52 s LYS 10 N -3.20 4.34 0.07 -0.62 2.20 -1.26 -1.33 119.74 119.94 2k52 s LYS 10 Ca -0.00 0.91 0.05 0.00 -0.36 0.00 0.00 55.97 56.56 2k52 s LYS 10 Cb 0.01 -3.15 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 2k52 s LYS 10 CO -0.07 0.55 -0.14 0.20 -0.36 0.00 0.00 175.35 175.53 2k52 s GLY 11 N -1.28 0.84 -0.15 5.54 0.00 0.28 -4.46 107.32 108.08 2k52 s GLY 11 Ca 0.35 -0.98 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 2k52 s GLY 11 CO 0.22 -1.00 -0.05 0.54 0.00 0.00 0.00 173.10 172.81 2k52 s VAL 12 N -1.26 3.78 0.07 1.40 0.11 -0.17 0.02 120.40 124.35 2k52 s VAL 12 Ca -0.02 -0.40 -0.31 0.00 -2.93 0.00 0.00 61.98 58.32 2k52 s VAL 12 Cb -0.10 -2.65 -0.07 0.00 -1.53 0.00 0.00 36.38 32.03 2k52 s VAL 12 CO 0.02 0.49 1.34 -0.69 -3.33 0.00 0.00 175.10 172.94 2k52 s VAL 13 N 0.40 3.60 -0.20 2.04 1.01 -0.74 -1.36 120.40 125.15 2k52 s VAL 13 Ca -0.05 1.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.88 2k52 s VAL 13 Cb -0.14 -3.71 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 2k52 s VAL 13 CO 0.03 0.06 -0.05 0.35 0.00 0.00 0.00 175.10 175.50 2k52 n THR 14 N 4.15 1.50 -3.83 3.92 -2.24 0.19 -0.57 114.28 117.40 2k52 n THR 14 Ca 0.11 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.75 2k52 n THR 14 Cb 0.44 -2.12 -0.09 0.00 -2.10 0.00 0.00 70.33 66.45 2k52 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k52 s ARG 15 N -2.41 0.59 -0.25 -0.78 1.70 -1.24 -4.72 118.95 111.84 2k52 s ARG 15 Ca -0.27 -0.39 -0.15 0.00 -0.47 0.00 0.00 55.73 54.45 2k52 s ARG 15 Cb 0.07 0.25 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 2k52 s ARG 15 CO 0.47 -0.15 0.36 0.42 -1.08 0.00 0.00 175.30 175.31 2k52 s ILE 16 N -1.62 5.20 0.32 4.99 -1.09 -1.26 -2.40 121.20 125.34 2k52 s ILE 16 Ca -0.12 0.56 0.08 0.00 -2.23 0.00 0.00 60.65 58.94 2k52 s ILE 16 Cb -0.06 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 2k52 s ILE 16 CO 0.01 0.21 0.20 -1.61 -1.23 0.00 0.00 174.94 172.52 2k52 s GLU 17 N 1.73 2.57 0.48 2.79 0.41 0.11 -5.00 118.70 121.79 2k52 s GLU 17 Ca 0.15 -1.37 0.31 0.00 -0.41 0.00 0.00 54.97 53.65 2k52 s GLU 17 Cb -0.15 -2.34 1.32 0.00 -1.78 0.00 0.00 34.13 31.17 2k52 s GLU 17 CO 0.09 0.16 1.93 0.87 -0.49 0.00 0.00 175.26 177.82 2k52 h LYS 18 N 1.45 0.00 -0.09 1.61 1.57 -2.03 -3.05 116.57 116.03 2k52 h LYS 18 Ca -0.45 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2k52 h LYS 18 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 2k52 h LYS 18 CO 0.61 0.00 -0.01 2.48 -0.57 0.00 0.00 179.45 181.95 2k52 n TYR 19 N -2.86 0.31 0.00 -1.35 4.11 -1.26 -5.09 117.16 111.03 2k52 n TYR 19 Ca 0.01 -0.99 0.00 0.00 -0.00 0.00 0.00 57.90 56.92 2k52 n TYR 19 Cb 0.27 -0.21 0.00 0.00 -0.00 0.00 0.00 39.34 39.40 2k52 n TYR 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k52 n GLY 20 N -1.14 0.68 3.06 -7.48 0.00 -1.15 -4.34 105.19 94.82 2k52 n GLY 20 Ca 0.18 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 2k52 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k52 s ALA 21 N -1.18 -0.51 0.18 4.61 0.00 -0.90 0.07 121.76 124.03 2k52 s ALA 21 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 2k52 s ALA 21 Cb 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 23.12 22.56 2k52 s ALA 21 CO 0.00 -0.15 1.05 -0.06 0.00 0.00 0.00 175.76 176.60 2k52 s PHE 22 N 0.73 3.69 0.00 0.00 0.40 -1.01 -0.52 117.98 121.27 2k52 s PHE 22 Ca -0.05 1.69 0.01 0.00 -0.60 0.00 0.00 56.93 57.98 2k52 s PHE 22 Cb -0.07 -3.19 -0.01 0.00 0.51 0.00 0.00 43.02 40.27 2k52 s PHE 22 CO -0.04 -0.29 -0.04 0.42 0.70 0.00 0.00 175.22 175.96 2k52 s ILE 23 N -0.37 0.34 -0.23 0.64 1.01 -0.70 -0.63 121.20 121.25 2k52 s ILE 23 Ca 0.47 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 2k52 s ILE 23 Cb -0.28 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 2k52 s ILE 23 CO 0.34 -0.00 0.08 0.20 0.00 0.00 0.00 174.94 175.55 2k52 s ASN 24 N -0.37 5.37 0.25 3.58 0.01 -0.46 -0.65 114.94 122.68 2k52 s ASN 24 Ca -0.01 -0.10 0.24 0.00 -0.71 0.00 0.00 52.86 52.28 2k52 s ASN 24 Cb -0.03 -1.95 0.41 0.00 0.41 0.00 0.00 41.25 40.08 2k52 s ASN 24 CO -0.00 0.03 1.48 -0.07 -1.51 0.00 0.00 177.10 177.03 2k52 h LEU 25 N 7.75 0.00 -7.00 0.60 3.38 -1.34 -0.43 115.31 118.27 2k52 h LEU 25 Ca -0.37 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.56 2k52 h LEU 25 Cb 1.18 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.73 2k52 h LEU 25 CO 0.61 0.03 0.36 0.21 0.09 0.00 0.00 178.44 179.73 2k52 s ASN 26 N -5.11 -0.51 0.60 -0.43 3.84 -0.92 -4.86 114.94 107.55 2k52 s ASN 26 Ca 0.06 0.48 0.28 0.00 0.21 0.00 0.00 52.86 53.89 2k52 s ASN 26 Cb 0.10 0.44 1.44 0.00 -0.55 0.00 0.00 41.25 42.67 2k52 s ASN 26 CO 0.68 -0.53 1.85 -0.08 -2.79 0.00 0.00 177.10 176.23 2k52 h GLU 27 N 2.66 0.00 0.00 0.43 4.81 -2.01 0.26 114.58 120.72 2k52 h GLU 27 Ca -0.24 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.69 2k52 h GLU 27 Cb 1.17 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 2k52 h GLU 27 CO 0.35 0.00 -1.96 1.04 -0.73 0.00 0.00 179.01 177.71 2k52 n GLN 28 N -3.59 0.65 -3.62 1.92 1.13 -1.26 -4.90 117.38 107.71 2k52 n GLN 28 Ca 0.08 0.16 -0.39 0.00 -1.94 0.00 0.00 57.00 54.92 2k52 n GLN 28 Cb 0.71 -1.68 -0.11 0.00 0.11 0.00 0.00 30.24 29.27 2k52 n GLN 28 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2k52 s VAL 29 N -2.60 4.82 0.13 5.09 1.01 0.90 -5.08 120.40 124.67 2k52 s VAL 29 Ca -0.07 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2k52 s VAL 29 Cb 0.07 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2k52 s VAL 29 CO 0.83 0.07 -0.18 -0.60 0.00 0.00 0.00 175.10 175.21 2k52 s ARG 30 N 1.65 1.15 0.00 2.72 3.52 -1.26 -1.12 118.95 125.62 2k52 s ARG 30 Ca 0.05 -1.27 0.00 0.00 -0.13 0.00 0.00 55.73 54.38 2k52 s ARG 30 Cb -0.17 -1.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.98 2k52 s ARG 30 CO 0.08 0.26 0.00 0.41 -0.81 0.00 0.00 175.30 175.24 2k52 n GLY 31 N 0.66 2.77 2.88 8.12 0.00 0.18 -4.29 105.19 115.51 2k52 n GLY 31 Ca -0.16 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 2k52 n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k52 s LEU 32 N 0.00 1.46 -0.19 0.99 2.96 0.05 -1.73 118.68 122.22 2k52 s LEU 32 Ca 0.00 -0.07 -0.14 0.00 -0.22 0.00 0.00 54.13 53.69 2k52 s LEU 32 Cb 0.00 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 2k52 s LEU 32 CO 0.00 -0.04 0.33 -0.22 -1.32 0.00 0.00 176.35 175.10 2k52 s LEU 33 N 0.66 4.19 -0.16 -0.68 2.96 0.32 -0.72 118.68 125.24 2k52 s LEU 33 Ca -0.07 0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 54.23 2k52 s LEU 33 Cb -0.11 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 2k52 s LEU 33 CO -0.01 0.02 0.13 -0.13 -1.32 0.00 0.00 176.35 175.04 2k52 s ARG 34 N 0.90 3.84 0.44 1.98 0.52 -1.22 -2.13 118.95 123.28 2k52 s ARG 34 Ca 0.17 -0.19 0.11 0.00 -0.52 0.00 0.00 55.73 55.30 2k52 s ARG 34 Cb -0.14 -3.30 0.99 0.00 0.52 0.00 0.00 34.95 33.01 2k52 s ARG 34 CO 0.06 0.51 2.06 -1.35 0.02 0.00 0.00 175.30 176.60 2k52 h PRO 35 N 5.93 0.29 0.00 3.54 0.11 -1.94 -2.06 132.00 137.87 2k52 h PRO 35 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2k52 h PRO 35 Cb 1.19 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k52 h PRO 35 CO 0.68 0.24 -0.12 0.00 -0.21 0.00 0.00 178.00 178.59 2k52 h ARG 36 N 0.30 0.00 -0.43 1.05 3.08 -1.94 -1.96 114.38 114.47 2k52 h ARG 36 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2k52 h ARG 36 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2k52 h ARG 36 CO -0.01 0.12 0.00 -0.25 -1.07 0.00 0.00 179.97 178.76 2k52 n ASP 37 N -4.25 3.39 -4.54 7.04 9.92 -0.78 -4.85 116.55 122.48 2k52 n ASP 37 Ca -0.03 -1.98 -0.43 0.00 -0.53 0.00 0.00 54.79 51.83 2k52 n ASP 37 Cb 0.19 -0.28 -0.04 0.00 -0.64 0.00 0.00 41.12 40.36 2k52 n ASP 37 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2k52 s MET 38 N -1.44 3.39 -0.02 -1.24 -1.94 -0.74 -1.40 119.30 115.91 2k52 s MET 38 Ca 0.40 -0.13 -0.07 0.00 -1.71 0.00 0.00 55.69 54.18 2k52 s MET 38 Cb 0.23 -4.03 -0.04 0.00 2.01 0.00 0.00 34.83 33.00 2k52 s MET 38 CO 0.31 -1.47 0.47 0.82 -0.01 0.00 0.00 175.02 175.15 2k52 h ILE 39 N 6.05 0.00 0.00 2.53 1.08 -1.87 -3.44 117.51 121.86 2k52 h ILE 39 Ca -0.26 -0.31 -0.46 0.00 -0.39 0.00 0.00 64.86 63.45 2k52 h ILE 39 Cb 1.07 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.75 2k52 h ILE 39 CO 1.09 0.00 -2.53 -0.24 -0.69 0.00 0.00 178.15 175.78 2k52 n SER 40 N -3.54 1.96 -4.66 1.72 2.88 -1.26 -4.93 113.62 105.80 2k52 n SER 40 Ca -0.03 0.27 -0.43 0.00 -1.33 0.00 0.00 58.87 57.35 2k52 n SER 40 Cb 0.10 -0.76 -0.02 0.00 -0.75 0.00 0.00 64.21 62.77 2k52 n SER 40 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2k52 s LEU 41 N -7.37 4.09 0.17 2.46 1.43 -1.26 -5.04 118.68 113.16 2k52 s LEU 41 Ca -0.38 1.38 -0.10 0.00 -1.03 0.00 0.00 54.13 54.00 2k52 s LEU 41 Cb 0.14 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.75 2k52 s LEU 41 CO 0.51 -0.70 0.50 -0.13 0.23 0.00 0.00 176.35 176.75 2k52 s ARG 42 N 3.28 3.81 0.53 1.70 1.81 -1.26 -4.84 118.95 123.97 2k52 s ARG 42 Ca 0.45 0.25 0.30 0.00 -1.72 0.00 0.00 55.73 55.01 2k52 s ARG 42 Cb -0.15 -2.81 1.45 0.00 -0.45 0.00 0.00 34.95 32.98 2k52 s ARG 42 CO 0.08 0.42 1.91 -0.07 -0.68 0.00 0.00 175.30 176.96 2k52 h LEU 43 N 3.04 0.02 -2.30 2.53 3.38 -1.96 -0.22 115.31 119.81 2k52 h LEU 43 Ca -0.48 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.51 2k52 h LEU 43 Cb 1.18 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k52 h LEU 43 CO 0.68 0.01 0.06 -0.33 0.09 0.00 0.00 178.44 178.95 2k52 h GLU 44 N 0.02 0.00 -0.00 1.13 5.08 -1.99 -2.58 114.58 116.24 2k52 h GLU 44 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2k52 h GLU 44 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2k52 h GLU 44 CO -0.01 0.00 -0.68 0.09 -1.00 0.00 0.00 179.01 177.41 2k52 n ASN 45 N -4.02 1.19 -4.79 1.42 3.02 -0.10 -4.99 115.26 106.99 2k52 n ASN 45 Ca -0.02 -1.09 -0.36 0.00 -0.03 0.00 0.00 54.58 53.08 2k52 n ASN 45 Cb 0.15 0.81 -0.06 0.00 -0.61 0.00 0.00 39.78 40.07 2k52 n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k52 s LEU 46 N -2.61 4.29 0.39 3.41 1.43 -0.97 -5.04 118.68 119.58 2k52 s LEU 46 Ca 0.10 1.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.98 2k52 s LEU 46 Cb 0.14 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 2k52 s LEU 46 CO 0.64 -0.09 0.08 0.20 0.23 0.00 0.00 176.35 177.41 2k52 s ASN 47 N -1.70 2.89 -0.37 2.29 0.01 -1.26 -5.01 114.94 111.79 2k52 s ASN 47 Ca 0.50 -1.56 -0.29 0.00 -0.71 0.00 0.00 52.86 50.81 2k52 s ASN 47 Cb -0.17 0.27 0.02 0.00 0.41 0.00 0.00 41.25 41.77 2k52 s ASN 47 CO 0.22 -0.79 1.16 -0.69 -1.51 0.00 0.00 177.10 175.49 2k52 s VAL 48 N -3.17 4.30 0.00 1.60 1.01 -1.26 -3.52 120.40 119.36 2k52 s VAL 48 Ca 0.26 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2k52 s VAL 48 Cb 0.05 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 32.01 2k52 s VAL 48 CO 0.13 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.17 2k52 n GLY 49 N 4.35 0.80 3.67 4.51 0.00 0.26 -5.01 105.19 113.77 2k52 n GLY 49 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2k52 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k52 s ASP 50 N -1.65 6.57 -0.71 1.61 1.01 -1.23 -4.62 116.67 117.65 2k52 s ASP 50 Ca 0.00 2.46 -0.26 0.00 0.71 0.00 0.00 52.55 55.46 2k52 s ASP 50 Cb 0.00 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.43 2k52 s ASP 50 CO 0.00 -0.97 1.20 -1.61 0.21 0.00 0.00 175.17 174.00 2k52 s GLU 51 N 3.87 3.18 -0.11 8.23 2.02 -1.26 -1.79 118.70 132.85 2k52 s GLU 51 Ca 0.79 -0.36 -0.02 0.00 0.02 0.00 0.00 54.97 55.40 2k52 s GLU 51 Cb -0.38 -4.18 -0.03 0.00 0.10 0.00 0.00 34.13 29.63 2k52 s GLU 51 CO 0.35 -2.05 -0.01 0.42 0.02 0.00 0.00 175.26 173.99 2k52 s ILE 52 N 5.32 4.22 -0.30 -1.63 1.01 0.10 -4.90 121.20 125.01 2k52 s ILE 52 Ca 0.32 -0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.45 2k52 s ILE 52 Cb -0.10 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.58 2k52 s ILE 52 CO 0.14 0.57 0.89 -0.63 0.00 0.00 0.00 174.94 175.92 2k52 s ILE 53 N -0.53 4.70 0.24 2.92 1.01 -1.26 -0.56 121.20 127.72 2k52 s ILE 53 Ca 0.09 1.42 0.04 0.00 0.00 0.00 0.00 60.65 62.20 2k52 s ILE 53 Cb -0.12 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 2k52 s ILE 53 CO 0.02 -0.31 0.00 0.68 0.00 0.00 0.00 174.94 175.34 2k52 s VAL 54 N 3.18 1.04 -0.02 2.92 -7.23 -0.44 -4.13 120.40 115.72 2k52 s VAL 54 Ca 0.37 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 2k52 s VAL 54 Cb -0.14 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 2k52 s VAL 54 CO 0.13 -0.29 -0.24 -1.58 -0.31 0.00 0.00 175.10 172.81 2k52 s GLN 55 N -3.87 2.16 0.18 4.82 0.74 0.22 -1.72 119.66 122.19 2k52 s GLN 55 Ca 0.29 -0.90 -0.30 0.00 0.05 0.00 0.00 55.36 54.51 2k52 s GLN 55 Cb 0.06 -2.10 -0.08 0.00 1.10 0.00 0.00 33.01 31.99 2k52 s GLN 55 CO 0.09 0.57 1.20 0.00 -0.55 0.00 0.00 175.29 176.60 2k52 s ALA 56 N -0.65 3.44 0.00 1.58 0.00 -0.34 -0.26 121.76 125.53 2k52 s ALA 56 Ca 0.11 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2k52 s ALA 56 Cb -0.10 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2k52 s ALA 56 CO -0.00 -0.37 0.00 -0.89 0.00 0.00 0.00 175.76 174.49 2k52 n ILE 57 N 2.55 0.00 -4.72 0.00 5.41 0.46 0.05 119.36 123.11 2k52 n ILE 57 Ca 0.04 0.45 -0.23 0.00 1.00 0.00 0.00 62.75 64.01 2k52 n ILE 57 Cb 0.45 -1.43 -0.15 0.00 -0.71 0.00 0.00 39.64 37.79 2k52 n ILE 57 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2k52 s ASP 58 N -3.51 1.85 -0.29 4.38 1.01 -1.25 -4.25 116.67 114.61 2k52 s ASP 58 Ca 0.00 -0.30 0.03 0.00 0.71 0.00 0.00 52.55 52.99 2k52 s ASP 58 Cb 0.00 -0.20 0.08 0.00 1.01 0.00 0.00 42.92 43.81 2k52 s ASP 58 CO 0.00 0.18 -0.04 -0.69 0.21 0.00 0.00 175.17 174.84 2k52 s VAL 59 N -0.40 2.04 -0.57 -1.27 1.01 -1.26 -1.19 120.40 118.75 2k52 s VAL 59 Ca 0.06 -1.80 -0.10 0.00 0.00 0.00 0.00 61.98 60.13 2k52 s VAL 59 Cb -0.06 -2.31 0.15 0.00 0.00 0.00 0.00 36.38 34.15 2k52 s VAL 59 CO -0.00 -0.27 0.46 -0.13 0.00 0.00 0.00 175.10 175.16 2k52 s ARG 60 N 1.11 2.77 0.21 2.72 0.52 0.53 -4.96 118.95 121.84 2k52 s ARG 60 Ca -0.01 -2.00 -0.08 0.00 -0.52 0.00 0.00 55.73 53.13 2k52 s ARG 60 Cb -0.19 -4.05 0.14 0.00 0.52 0.00 0.00 34.95 31.38 2k52 s ARG 60 CO -0.07 -1.23 1.74 -1.00 0.02 0.00 0.00 175.30 174.76 2k52 h PRO 61 N 8.19 1.16 0.00 3.54 0.13 -1.94 0.76 132.00 143.83 2k52 h PRO 61 Ca -0.14 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2k52 h PRO 61 Cb 1.05 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2k52 h PRO 61 CO 0.85 0.99 0.00 1.05 -0.23 0.00 0.00 178.00 180.65 2k52 h GLU 62 N 1.11 0.00 0.00 0.86 4.11 -1.96 -1.98 114.58 116.71 2k52 h GLU 62 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 2k52 h GLU 62 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2k52 h GLU 62 CO -0.01 0.00 -0.65 1.63 0.07 0.00 0.00 179.01 180.05 2k52 n LYS 63 N -3.02 2.85 -1.91 1.06 4.76 -0.80 -4.99 118.16 116.11 2k52 n LYS 63 Ca -0.01 -0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.21 2k52 n LYS 63 Cb 0.18 -1.08 -0.06 0.00 -1.84 0.00 0.00 35.03 32.23 2k52 n LYS 63 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k52 n ARG 64 N -1.34 -1.55 -3.56 1.97 1.74 0.25 -4.98 116.66 109.21 2k52 n ARG 64 Ca 0.02 1.14 -0.37 0.00 -0.77 0.00 0.00 57.85 57.87 2k52 n ARG 64 Cb 0.20 -5.64 -0.07 0.00 -1.02 0.00 0.00 32.46 25.93 2k52 n ARG 64 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2k52 s GLU 65 N -4.25 4.15 -0.21 5.56 2.02 -0.54 -4.89 118.70 120.54 2k52 s GLU 65 Ca 0.00 0.12 -0.01 0.00 0.02 0.00 0.00 54.97 55.11 2k52 s GLU 65 Cb 0.00 -3.38 0.06 0.00 0.10 0.00 0.00 34.13 30.91 2k52 s GLU 65 CO 0.00 0.34 -0.02 0.42 0.02 0.00 0.00 175.26 176.02 2k52 s ILE 66 N 0.15 1.06 0.08 -1.63 1.01 -1.26 -0.35 121.20 120.26 2k52 s ILE 66 Ca 0.17 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.72 2k52 s ILE 66 Cb -0.13 -1.41 -0.06 0.00 0.01 0.00 0.00 42.46 40.87 2k52 s ILE 66 CO 0.05 -0.11 0.75 -1.81 0.00 0.00 0.00 174.94 173.82 2k52 s ASP 67 N 1.62 7.24 0.18 3.58 1.01 -0.33 -0.77 116.67 129.20 2k52 s ASP 67 Ca -0.03 1.48 0.08 0.00 0.71 0.00 0.00 52.55 54.79 2k52 s ASP 67 Cb -0.18 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2k52 s ASP 67 CO -0.07 0.09 -0.00 -0.36 0.21 0.00 0.00 175.17 175.03 2k52 s PHE 68 N -0.42 2.82 0.00 4.23 0.08 0.10 -0.41 117.98 124.39 2k52 s PHE 68 Ca 0.37 -0.15 0.03 0.00 0.12 0.00 0.00 56.93 57.30 2k52 s PHE 68 Cb -0.21 -1.36 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 2k52 s PHE 68 CO 0.23 0.53 -0.10 0.21 -0.10 0.00 0.00 175.22 175.99 2k52 s LYS 69 N -3.02 0.76 -0.07 0.44 2.20 0.64 -3.46 119.74 117.23 2k52 s LYS 69 Ca 0.28 -0.41 -0.21 0.00 -0.36 0.00 0.00 55.97 55.27 2k52 s LYS 69 Cb -0.09 -0.73 -0.04 0.00 -1.51 0.00 0.00 37.83 35.46 2k52 s LYS 69 CO 0.19 0.19 0.59 -0.47 -0.36 0.00 0.00 175.35 175.50 2k52 s TYR 70 N -0.36 3.58 -0.01 4.03 6.14 -0.49 -0.61 117.35 129.62 2k52 s TYR 70 Ca 0.03 1.11 0.05 0.00 0.64 0.00 0.00 57.07 58.89 2k52 s TYR 70 Cb -0.04 -2.66 -0.01 0.00 0.42 0.00 0.00 41.96 39.66 2k52 s TYR 70 CO -0.00 0.19 -0.15 0.96 0.64 0.00 0.00 175.55 177.18 2k52 s ILE 71 N 0.46 1.21 -0.43 3.14 -4.36 -1.26 -4.14 121.20 115.83 2k52 s ILE 71 Ca 0.32 -0.65 -0.28 0.00 -0.26 0.00 0.00 60.65 59.77 2k52 s ILE 71 Cb -0.17 -1.01 0.00 0.00 1.25 0.00 0.00 42.46 42.53 2k52 s ILE 71 CO 0.15 0.34 1.55 -2.84 0.24 0.00 0.00 174.94 174.38 2k52 s PRO 72 N -0.33 3.39 -0.56 0.37 0.02 -1.26 -4.95 135.00 131.68 2k52 s PRO 72 Ca 0.05 0.96 -0.28 0.00 0.02 0.00 0.00 61.00 61.75 2k52 s PRO 72 Cb -0.06 -4.12 0.03 0.00 0.02 0.00 0.00 34.50 30.37 2k52 s PRO 72 CO -0.00 -1.79 1.24 -1.17 -0.33 0.00 0.00 177.00 174.94 2k52 s LEU 73 N 6.20 3.46 0.00 -5.54 0.20 -1.26 -5.23 118.68 116.52 2k52 s LEU 73 Ca 0.65 0.21 0.24 0.00 0.69 0.00 0.00 54.13 55.92 2k52 s LEU 73 Cb -0.15 -3.20 0.19 0.00 -0.43 0.00 0.00 46.19 42.60 2k52 s LEU 73 CO 0.31 -1.51 1.26 -0.62 -0.29 0.00 0.00 176.35 175.50