#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 6.44 -0.06 6.12 2.15 -1.26 -4.92 116.67 125.14 2k52 s ASP 2 Ca 0.00 0.81 0.03 0.00 0.43 0.00 0.00 52.55 53.83 2k52 s ASP 2 Cb 0.00 -2.19 0.01 0.00 -0.30 0.00 0.00 42.92 40.44 2k52 s ASP 2 CO 0.00 -0.29 -0.15 -0.69 -0.17 0.00 0.00 175.17 173.88 2k52 s VAL 3 N -2.23 1.30 0.12 1.11 1.01 -1.26 -5.15 120.40 115.31 2k52 s VAL 3 Ca 0.46 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.94 2k52 s VAL 3 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2k52 s VAL 3 CO 0.32 0.39 -0.26 -1.61 0.00 0.00 0.00 175.10 173.94 2k52 s GLU 4 N 0.39 1.36 -0.44 2.72 2.02 -1.26 -5.04 118.70 118.45 2k52 s GLU 4 Ca -0.11 -1.30 -0.27 0.00 0.02 0.00 0.00 54.97 53.31 2k52 s GLU 4 Cb -0.14 -1.80 -0.08 0.00 0.10 0.00 0.00 34.13 32.21 2k52 s GLU 4 CO 0.04 0.43 2.37 -2.30 0.02 0.00 0.00 175.26 175.81 2k52 n PRO 5 N 0.98 1.22 0.00 0.39 -0.02 -1.26 -1.97 135.00 134.34 2k52 n PRO 5 Ca -0.18 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2k52 n PRO 5 Cb 0.53 -3.23 0.00 0.00 -0.02 0.00 0.00 33.50 30.78 2k52 n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k52 n GLY 6 N 6.01 1.28 3.94 -1.23 0.00 0.24 -4.97 105.19 110.46 2k52 n GLY 6 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 3.45 -0.16 1.61 -0.14 -0.83 -4.85 119.74 118.81 2k52 s LYS 7 Ca 0.00 -0.54 -0.11 0.00 -1.36 0.00 0.00 55.97 53.96 2k52 s LYS 7 Cb 0.00 -2.98 -0.05 0.00 -1.68 0.00 0.00 37.83 33.12 2k52 s LYS 7 CO 0.00 0.54 0.20 -0.06 -0.76 0.00 0.00 175.35 175.27 2k52 s PHE 8 N -1.68 3.48 -0.02 3.18 0.08 -1.26 -1.21 117.98 120.54 2k52 s PHE 8 Ca 0.35 0.49 -0.08 0.00 0.12 0.00 0.00 56.93 57.81 2k52 s PHE 8 Cb -0.12 -2.19 0.01 0.00 -0.57 0.00 0.00 43.02 40.15 2k52 s PHE 8 CO 0.28 0.37 0.17 0.71 -0.10 0.00 0.00 175.22 176.64 2k52 s TYR 9 N 0.09 -0.05 -0.36 0.36 2.02 -0.20 -5.01 117.35 114.20 2k52 s TYR 9 Ca 0.13 0.09 -0.17 0.00 -0.37 0.00 0.00 57.07 56.76 2k52 s TYR 9 Cb -0.12 -0.00 -0.00 0.00 -0.40 0.00 0.00 41.96 41.43 2k52 s TYR 9 CO 0.02 -0.24 0.43 0.21 -1.57 0.00 0.00 175.55 174.41 2k52 s LYS 10 N -0.91 3.53 0.36 -0.62 2.20 -1.26 -0.99 119.74 122.04 2k52 s LYS 10 Ca -0.10 -0.36 0.05 0.00 -0.36 0.00 0.00 55.97 55.20 2k52 s LYS 10 Cb -0.05 -3.83 -0.07 0.00 -1.51 0.00 0.00 37.83 32.37 2k52 s LYS 10 CO 0.01 -0.62 0.04 0.20 -0.36 0.00 0.00 175.35 174.62 2k52 s GLY 11 N 1.76 2.27 -0.04 5.54 0.00 0.06 -4.79 107.32 112.13 2k52 s GLY 11 Ca 0.15 -2.16 0.03 0.00 0.00 0.00 0.00 44.72 42.74 2k52 s GLY 11 CO 0.13 -1.94 -0.12 0.54 0.00 0.00 0.00 173.10 171.70 2k52 s VAL 12 N -3.04 3.25 0.04 1.40 0.11 -0.58 -0.17 120.40 121.42 2k52 s VAL 12 Ca 0.36 -0.71 -0.30 0.00 -2.93 0.00 0.00 61.98 58.39 2k52 s VAL 12 Cb 0.09 -2.31 -0.05 0.00 -1.53 0.00 0.00 36.38 32.58 2k52 s VAL 12 CO 0.17 0.55 1.22 -0.69 -3.33 0.00 0.00 175.10 173.01 2k52 s VAL 13 N -0.80 4.02 -0.20 2.04 1.01 -0.08 -1.34 120.40 125.05 2k52 s VAL 13 Ca 0.13 1.44 -0.16 0.00 0.00 0.00 0.00 61.98 63.38 2k52 s VAL 13 Cb -0.11 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 2k52 s VAL 13 CO 0.02 0.09 -0.07 0.35 0.00 0.00 0.00 175.10 175.48 2k52 n THR 14 N 4.07 1.49 -3.67 3.92 -2.24 -0.05 -1.77 114.28 116.04 2k52 n THR 14 Ca 0.10 0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 2k52 n THR 14 Cb 0.46 -2.17 -0.06 0.00 -2.10 0.00 0.00 70.33 66.47 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 0.96 -0.26 -0.78 1.70 -1.25 -4.79 118.95 112.11 2k52 s ARG 15 Ca -0.26 -0.50 -0.13 0.00 -0.47 0.00 0.00 55.73 54.36 2k52 s ARG 15 Cb 0.06 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 2k52 s ARG 15 CO 0.44 -0.34 0.29 0.42 -1.08 0.00 0.00 175.30 175.02 2k52 s ILE 16 N -2.96 5.24 0.46 4.99 -1.09 -1.26 -3.00 121.20 123.58 2k52 s ILE 16 Ca -0.02 0.41 0.08 0.00 -2.23 0.00 0.00 60.65 58.88 2k52 s ILE 16 Cb 0.00 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 2k52 s ILE 16 CO -0.06 0.22 0.51 -1.61 -1.23 0.00 0.00 174.94 172.77 2k52 s GLU 17 N 1.76 2.55 0.46 2.79 0.41 0.12 -5.01 118.70 121.77 2k52 s GLU 17 Ca 0.12 -1.53 0.25 0.00 -0.41 0.00 0.00 54.97 53.41 2k52 s GLU 17 Cb -0.15 -2.50 0.61 0.00 -1.78 0.00 0.00 34.13 30.30 2k52 s GLU 17 CO 0.09 -0.38 1.70 0.87 -0.49 0.00 0.00 175.26 177.06 2k52 h LYS 18 N 0.73 0.00 -0.31 1.61 1.57 -2.02 -3.26 116.57 114.90 2k52 h LYS 18 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2k52 h LYS 18 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2k52 h LYS 18 CO 0.51 0.04 0.00 2.48 -0.57 0.00 0.00 179.45 181.91 2k52 n TYR 19 N -3.12 0.45 -0.39 -1.35 4.11 -1.26 -5.07 117.16 110.52 2k52 n TYR 19 Ca 0.03 -0.53 0.00 0.00 -0.00 0.00 0.00 57.90 57.40 2k52 n TYR 19 Cb 0.48 -0.05 0.00 0.00 -0.00 0.00 0.00 39.34 39.77 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 0.35 0.54 2.91 -7.48 0.00 -1.23 -4.58 105.19 95.69 2k52 n GLY 20 Ca 0.11 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.00 -0.14 -0.07 4.61 0.00 0.19 0.10 121.76 125.46 2k52 s ALA 21 Ca 0.00 0.26 -0.28 0.00 0.00 0.00 0.00 51.96 51.94 2k52 s ALA 21 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 2k52 s ALA 21 CO 0.00 -0.06 0.92 -0.06 0.00 0.00 0.00 175.76 176.56 2k52 s PHE 22 N 0.32 3.57 -0.07 0.00 0.08 -1.16 -0.65 117.98 120.07 2k52 s PHE 22 Ca -0.02 1.53 0.05 0.00 0.12 0.00 0.00 56.93 58.61 2k52 s PHE 22 Cb -0.04 -3.07 -0.01 0.00 -0.57 0.00 0.00 43.02 39.33 2k52 s PHE 22 CO -0.01 -0.09 -0.24 0.42 -0.10 0.00 0.00 175.22 175.19 2k52 s ILE 23 N 1.44 2.02 -0.31 0.64 1.01 -0.27 -0.88 121.20 124.86 2k52 s ILE 23 Ca 0.47 -1.03 -0.16 0.00 0.00 0.00 0.00 60.65 59.93 2k52 s ILE 23 Cb -0.19 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 2k52 s ILE 23 CO 0.21 0.56 0.40 0.20 0.00 0.00 0.00 174.94 176.31 2k52 s ASN 24 N 0.01 6.24 0.09 3.58 0.01 -0.45 -0.90 114.94 123.52 2k52 s ASN 24 Ca -0.08 0.04 0.10 0.00 -0.71 0.00 0.00 52.86 52.20 2k52 s ASN 24 Cb -0.15 -2.22 -0.18 0.00 0.41 0.00 0.00 41.25 39.11 2k52 s ASN 24 CO 0.05 -0.31 1.13 -0.07 -1.51 0.00 0.00 177.10 176.39 2k52 h LEU 25 N 8.77 0.00 -7.59 0.60 3.38 -1.50 -1.53 115.31 117.44 2k52 h LEU 25 Ca -0.30 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2k52 h LEU 25 Cb 1.15 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 2k52 h LEU 25 CO 0.69 0.93 0.00 0.21 0.09 0.00 0.00 178.44 180.36 2k52 s ASN 26 N -6.49 -0.26 0.26 -0.43 2.47 -1.02 -4.82 114.94 104.65 2k52 s ASN 26 Ca -0.00 -0.43 -0.05 0.00 0.42 0.00 0.00 52.86 52.80 2k52 s ASN 26 Cb 0.09 0.55 0.50 0.00 -1.45 0.00 0.00 41.25 40.94 2k52 s ASN 26 CO 0.81 -1.00 1.64 -0.08 -3.72 0.00 0.00 177.10 174.75 2k52 h GLU 27 N 2.24 0.12 -0.14 0.43 4.81 -1.98 0.34 114.58 120.40 2k52 h GLU 27 Ca -0.30 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2k52 h GLU 27 Cb 1.26 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2k52 h GLU 27 CO 0.40 0.08 0.00 1.04 -0.73 0.00 0.00 179.01 179.80 2k52 n GLN 28 N -5.32 2.02 -4.01 1.92 1.13 -1.26 -4.85 117.38 107.00 2k52 n GLN 28 Ca 0.15 -1.50 -0.31 0.00 -1.94 0.00 0.00 57.00 53.40 2k52 n GLN 28 Cb 0.52 -1.46 -0.16 0.00 0.11 0.00 0.00 30.24 29.26 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 -1.84 1.79 0.07 5.09 1.01 0.11 -5.11 120.40 121.52 2k52 s VAL 29 Ca 0.34 -1.24 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2k52 s VAL 29 Cb 0.20 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2k52 s VAL 29 CO 0.30 0.07 -0.16 -0.60 0.00 0.00 0.00 175.10 174.71 2k52 s ARG 30 N 1.30 0.93 0.00 2.72 3.52 -1.26 -1.28 118.95 124.88 2k52 s ARG 30 Ca -0.04 -0.96 0.00 0.00 -0.13 0.00 0.00 55.73 54.59 2k52 s ARG 30 Cb -0.18 -1.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 2k52 s ARG 30 CO -0.07 0.23 0.00 0.41 -0.81 0.00 0.00 175.30 175.06 2k52 n GLY 31 N 1.38 2.94 3.09 8.12 0.00 -0.08 -4.55 105.19 116.09 2k52 n GLY 31 Ca -0.20 -1.31 -0.25 0.00 0.00 0.00 0.00 46.02 44.25 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 1.83 -0.16 0.99 2.96 0.32 -1.11 118.68 123.52 2k52 s LEU 32 Ca 0.00 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2k52 s LEU 32 Cb 0.00 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 2k52 s LEU 32 CO 0.00 0.11 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.81 2k52 s LEU 33 N 0.25 2.75 0.07 -0.68 2.96 0.18 -0.82 118.68 123.38 2k52 s LEU 33 Ca -0.08 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 2k52 s LEU 33 Cb -0.13 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2k52 s LEU 33 CO 0.03 0.10 0.07 -0.13 -1.32 0.00 0.00 176.35 175.10 2k52 s ARG 34 N 0.73 2.87 0.50 1.98 0.52 -1.26 -0.64 118.95 123.66 2k52 s ARG 34 Ca -0.05 -0.67 0.16 0.00 -0.52 0.00 0.00 55.73 54.65 2k52 s ARG 34 Cb -0.15 -2.73 1.21 0.00 0.52 0.00 0.00 34.95 33.80 2k52 s ARG 34 CO 0.02 0.58 2.12 -1.00 0.02 0.00 0.00 175.30 177.03 2k52 h PRO 35 N 3.47 0.00 0.00 3.54 0.13 -1.95 -1.25 132.00 135.94 2k52 h PRO 35 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k52 h PRO 35 Cb 1.17 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k52 h PRO 35 CO 0.65 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 2k52 h ARG 36 N 0.00 0.00 -0.56 0.86 3.08 -1.95 -2.30 114.38 113.51 2k52 h ARG 36 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k52 h ARG 36 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2k52 h ARG 36 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 2k52 n ASP 37 N -3.05 3.73 -4.60 7.04 9.92 -0.48 -4.91 116.55 124.20 2k52 n ASP 37 Ca 0.00 -2.00 -0.38 0.00 -0.53 0.00 0.00 54.79 51.88 2k52 n ASP 37 Cb 0.27 -0.37 -0.11 0.00 -0.64 0.00 0.00 41.12 40.27 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 -1.26 3.97 -0.08 -1.24 -1.94 -0.87 -1.02 119.30 116.86 2k52 s MET 38 Ca 0.44 -0.28 -0.07 0.00 -1.71 0.00 0.00 55.69 54.07 2k52 s MET 38 Cb 0.24 -3.65 -0.05 0.00 2.01 0.00 0.00 34.83 33.39 2k52 s MET 38 CO 0.33 -0.16 0.26 0.82 -0.01 0.00 0.00 175.02 176.26 2k52 h ILE 39 N 5.33 0.17 0.00 2.53 1.08 -1.87 -3.44 117.51 121.31 2k52 h ILE 39 Ca -0.35 -0.99 -0.27 0.00 -0.39 0.00 0.00 64.86 62.86 2k52 h ILE 39 Cb 1.19 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.19 2k52 h ILE 39 CO 0.57 0.05 -1.98 -0.24 -0.69 0.00 0.00 178.15 175.86 2k52 n SER 40 N -4.87 2.23 -4.63 1.72 2.88 -1.26 -4.98 113.62 104.72 2k52 n SER 40 Ca -0.03 0.01 -0.42 0.00 -1.33 0.00 0.00 58.87 57.10 2k52 n SER 40 Cb 0.10 -0.35 -0.04 0.00 -0.75 0.00 0.00 64.21 63.16 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 -6.31 4.07 0.41 2.46 1.43 -1.26 -5.06 118.68 114.42 2k52 s LEU 41 Ca -0.24 0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 53.65 2k52 s LEU 41 Cb 0.07 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 2k52 s LEU 41 CO 0.37 -0.60 0.69 -0.13 0.23 0.00 0.00 176.35 176.91 2k52 s ARG 42 N 2.98 3.57 0.42 1.70 1.81 -1.26 -4.76 118.95 123.42 2k52 s ARG 42 Ca 0.34 0.08 0.14 0.00 -1.72 0.00 0.00 55.73 54.57 2k52 s ARG 42 Cb -0.14 -2.49 1.01 0.00 -0.45 0.00 0.00 34.95 32.88 2k52 s ARG 42 CO 0.11 -0.04 1.96 -0.07 -0.68 0.00 0.00 175.30 176.58 2k52 h LEU 43 N 0.71 0.40 -2.47 2.53 3.38 -1.95 0.10 115.31 118.02 2k52 h LEU 43 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2k52 h LEU 43 Cb 1.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2k52 h LEU 43 CO 0.63 0.23 0.00 -0.33 0.09 0.00 0.00 178.44 179.06 2k52 h GLU 44 N 0.44 0.00 -0.01 1.13 5.08 -1.99 -1.79 114.58 117.44 2k52 h GLU 44 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2k52 h GLU 44 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k52 h GLU 44 CO -0.09 0.00 -0.47 0.09 -1.00 0.00 0.00 179.01 177.54 2k52 n ASN 45 N -3.01 1.47 -4.79 1.42 3.02 0.01 -4.98 115.26 108.39 2k52 n ASN 45 Ca -0.02 -1.24 -0.39 0.00 -0.03 0.00 0.00 54.58 52.91 2k52 n ASN 45 Cb 0.13 0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 39.85 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 -2.29 4.56 0.09 3.41 1.43 -0.67 -4.98 118.68 120.22 2k52 s LEU 46 Ca 0.12 1.45 0.10 0.00 -1.03 0.00 0.00 54.13 54.77 2k52 s LEU 46 Cb 0.14 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 2k52 s LEU 46 CO 0.50 0.24 -0.26 0.20 0.23 0.00 0.00 176.35 177.27 2k52 s ASN 47 N -1.11 3.12 -0.19 2.29 0.01 -1.26 -5.02 114.94 112.77 2k52 s ASN 47 Ca 0.32 -0.67 -0.29 0.00 -0.71 0.00 0.00 52.86 51.51 2k52 s ASN 47 Cb -0.21 -0.23 -0.05 0.00 0.41 0.00 0.00 41.25 41.17 2k52 s ASN 47 CO 0.23 0.19 1.99 -0.69 -1.51 0.00 0.00 177.10 177.31 2k52 s VAL 48 N -0.97 3.22 0.00 1.60 1.01 -1.26 -1.84 120.40 122.16 2k52 s VAL 48 Ca 0.12 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2k52 s VAL 48 Cb -0.10 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2k52 s VAL 48 CO 0.04 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.62 2k52 n GLY 49 N 5.28 1.07 3.75 4.51 0.00 -0.73 -5.02 105.19 114.06 2k52 n GLY 49 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.48 7.09 -0.44 1.61 1.01 -0.76 -4.77 116.67 118.93 2k52 s ASP 50 Ca 0.00 2.34 -0.12 0.00 0.71 0.00 0.00 52.55 55.48 2k52 s ASP 50 Cb 0.00 -2.62 0.07 0.00 1.01 0.00 0.00 42.92 41.38 2k52 s ASP 50 CO 0.00 -0.32 0.32 -1.61 0.21 0.00 0.00 175.17 173.77 2k52 s GLU 51 N -0.99 2.79 -0.01 8.23 2.02 -1.26 -0.90 118.70 128.57 2k52 s GLU 51 Ca 0.49 -1.38 0.04 0.00 0.02 0.00 0.00 54.97 54.14 2k52 s GLU 51 Cb -0.34 -3.94 -0.03 0.00 0.10 0.00 0.00 34.13 29.92 2k52 s GLU 51 CO 0.41 -0.97 -0.12 0.42 0.02 0.00 0.00 175.26 175.03 2k52 s ILE 52 N 1.54 3.25 -0.41 -1.63 1.01 0.76 -4.90 121.20 120.81 2k52 s ILE 52 Ca 0.03 -0.82 -0.22 0.00 0.00 0.00 0.00 60.65 59.64 2k52 s ILE 52 Cb -0.23 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 39.91 2k52 s ILE 52 CO 0.05 0.47 0.74 -0.63 0.00 0.00 0.00 174.94 175.57 2k52 s ILE 53 N -0.87 4.73 0.20 2.92 1.01 -1.26 -0.76 121.20 127.17 2k52 s ILE 53 Ca 0.14 0.53 0.09 0.00 0.00 0.00 0.00 60.65 61.41 2k52 s ILE 53 Cb -0.11 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2k52 s ILE 53 CO 0.04 -0.56 -0.18 0.68 0.00 0.00 0.00 174.94 174.92 2k52 s VAL 54 N 3.09 1.92 -0.14 2.92 -7.23 -0.17 -4.21 120.40 116.58 2k52 s VAL 54 Ca 0.28 -2.08 -0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2k52 s VAL 54 Cb -0.13 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 2k52 s VAL 54 CO 0.19 -0.40 0.01 -1.58 -0.31 0.00 0.00 175.10 173.01 2k52 s GLN 55 N -3.15 3.53 -0.16 4.82 0.74 -0.08 -1.04 119.66 124.33 2k52 s GLN 55 Ca 0.20 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.90 2k52 s GLN 55 Cb -0.04 -2.97 -0.02 0.00 1.10 0.00 0.00 33.01 31.08 2k52 s GLN 55 CO 0.08 0.42 1.27 0.00 -0.55 0.00 0.00 175.29 176.50 2k52 s ALA 56 N -0.08 3.65 -0.01 1.58 0.00 -0.35 -0.58 121.76 125.98 2k52 s ALA 56 Ca 0.04 0.47 -0.00 0.00 0.00 0.00 0.00 51.96 52.47 2k52 s ALA 56 Cb -0.13 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.38 2k52 s ALA 56 CO 0.02 -1.15 -0.00 0.82 0.00 0.00 0.00 175.76 175.44 2k52 h ILE 57 N 5.46 0.00 -4.28 0.00 2.04 -0.86 0.69 117.51 120.56 2k52 h ILE 57 Ca -0.27 -0.10 -0.55 0.00 1.00 0.00 0.00 64.86 64.94 2k52 h ILE 57 Cb 1.11 0.00 -0.28 0.00 -0.74 0.00 0.00 36.82 36.90 2k52 h ILE 57 CO 0.96 0.00 -0.83 -1.81 0.00 0.00 0.00 178.15 176.47 2k52 s ASP 58 N -3.34 2.10 -0.29 1.72 1.11 -1.24 -4.09 116.67 112.65 2k52 s ASP 58 Ca -0.00 -0.36 0.03 0.00 0.18 0.00 0.00 52.55 52.40 2k52 s ASP 58 Cb 0.00 -0.22 0.08 0.00 1.07 0.00 0.00 42.92 43.85 2k52 s ASP 58 CO 0.00 0.20 -0.03 -0.69 1.18 0.00 0.00 175.17 175.83 2k52 s VAL 59 N -0.50 2.08 -0.54 -1.27 1.01 -1.26 -1.33 120.40 118.58 2k52 s VAL 59 Ca 0.07 -1.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.06 2k52 s VAL 59 Cb -0.07 -2.36 0.14 0.00 0.00 0.00 0.00 36.38 34.08 2k52 s VAL 59 CO -0.00 -0.31 0.45 -0.13 0.00 0.00 0.00 175.10 175.11 2k52 s ARG 60 N 1.08 2.77 0.34 2.72 0.52 -0.86 -4.94 118.95 120.58 2k52 s ARG 60 Ca 0.01 -1.86 0.03 0.00 -0.52 0.00 0.00 55.73 53.39 2k52 s ARG 60 Cb -0.19 -4.10 0.64 0.00 0.52 0.00 0.00 34.95 31.82 2k52 s ARG 60 CO -0.07 -1.25 1.97 -1.35 0.02 0.00 0.00 175.30 174.62 2k52 h PRO 61 N 8.46 0.85 -1.00 3.54 0.11 -1.94 0.77 132.00 142.80 2k52 h PRO 61 Ca -0.20 -0.05 0.21 0.00 0.11 0.00 0.00 66.00 66.07 2k52 h PRO 61 Cb 1.07 -0.19 -0.10 0.00 0.11 0.00 0.00 31.00 31.89 2k52 h PRO 61 CO 0.90 0.56 0.62 1.05 -0.21 0.00 0.00 178.00 180.92 2k52 h GLU 62 N 0.88 0.63 0.00 1.05 4.11 -1.97 -2.49 114.58 116.78 2k52 h GLU 62 Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.68 2k52 h GLU 62 Cb 0.07 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2k52 h GLU 62 CO -0.08 0.42 -0.65 1.63 0.07 0.00 0.00 179.01 180.39 2k52 n LYS 63 N -4.74 2.71 -1.66 1.06 4.76 -0.73 -4.98 118.16 114.58 2k52 n LYS 63 Ca 0.24 -0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.47 2k52 n LYS 63 Cb 0.66 -1.11 -0.08 0.00 -1.84 0.00 0.00 35.03 32.66 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 -1.33 -1.47 -3.81 1.97 1.74 0.26 -4.97 116.66 109.05 2k52 n ARG 64 Ca 0.02 1.19 -0.36 0.00 -0.77 0.00 0.00 57.85 57.93 2k52 n ARG 64 Cb 0.20 -5.60 -0.11 0.00 -1.02 0.00 0.00 32.46 25.94 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 -3.84 3.85 -0.13 5.56 2.02 -1.02 -4.95 118.70 120.17 2k52 s GLU 65 Ca 0.00 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.61 2k52 s GLU 65 Cb 0.00 -3.36 -0.00 0.00 0.10 0.00 0.00 34.13 30.86 2k52 s GLU 65 CO 0.00 -0.01 -0.17 0.42 0.02 0.00 0.00 175.26 175.51 2k52 s ILE 66 N 1.18 2.58 -0.03 -1.63 1.01 -1.26 -2.02 121.20 121.02 2k52 s ILE 66 Ca 0.05 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 2k52 s ILE 66 Cb -0.14 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 2k52 s ILE 66 CO 0.04 0.53 0.35 -1.81 0.00 0.00 0.00 174.94 174.06 2k52 s ASP 67 N 0.57 6.71 0.38 3.58 1.01 -0.44 -0.52 116.67 127.96 2k52 s ASP 67 Ca -0.10 0.84 0.08 0.00 0.71 0.00 0.00 52.55 54.08 2k52 s ASP 67 Cb -0.16 -2.21 -0.06 0.00 1.01 0.00 0.00 42.92 41.50 2k52 s ASP 67 CO 0.04 0.32 0.10 -0.36 0.21 0.00 0.00 175.17 175.48 2k52 s PHE 68 N -0.93 2.59 -0.00 4.23 0.08 0.00 -0.16 117.98 123.79 2k52 s PHE 68 Ca 0.22 -0.53 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 2k52 s PHE 68 Cb -0.16 -1.76 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 2k52 s PHE 68 CO 0.11 0.32 0.02 0.21 -0.10 0.00 0.00 175.22 175.78 2k52 s LYS 69 N -3.82 0.10 -0.10 0.44 2.20 0.26 -4.43 119.74 114.38 2k52 s LYS 69 Ca 0.38 -0.11 -0.21 0.00 -0.36 0.00 0.00 55.97 55.67 2k52 s LYS 69 Cb 0.03 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 2k52 s LYS 69 CO 0.21 -0.02 0.62 -0.47 -0.36 0.00 0.00 175.35 175.33 2k52 s TYR 70 N -0.33 3.52 -0.12 4.03 6.14 -0.19 -0.90 117.35 129.50 2k52 s TYR 70 Ca -0.04 1.09 -0.02 0.00 0.64 0.00 0.00 57.07 58.74 2k52 s TYR 70 Cb -0.02 -2.73 -0.03 0.00 0.42 0.00 0.00 41.96 39.60 2k52 s TYR 70 CO -0.00 0.07 -0.05 0.96 0.64 0.00 0.00 175.55 177.16 2k52 s ILE 71 N 0.94 3.77 -1.10 3.14 -4.36 -1.26 -4.36 121.20 117.97 2k52 s ILE 71 Ca 0.33 -0.42 -0.22 0.00 -0.26 0.00 0.00 60.65 60.08 2k52 s ILE 71 Cb -0.17 -2.61 0.05 0.00 1.25 0.00 0.00 42.46 40.99 2k52 s ILE 71 CO 0.14 0.54 1.54 -2.16 0.24 0.00 0.00 174.94 175.24 2k52 s PRO 72 N -0.08 3.68 0.51 0.37 0.04 -1.26 -5.00 135.00 133.26 2k52 s PRO 72 Ca 0.01 -1.35 -0.18 0.00 0.04 0.00 0.00 61.00 59.51 2k52 s PRO 72 Cb -0.13 -5.40 -0.08 0.00 0.04 0.00 0.00 34.50 28.93 2k52 s PRO 72 CO 0.03 -2.25 1.02 -0.48 0.04 0.00 0.00 177.00 175.35 2k52 s LEU 73 N 4.89 3.73 0.00 -3.56 2.34 -1.26 -5.23 118.68 119.59 2k52 s LEU 73 Ca 0.49 1.79 0.19 0.00 0.06 0.00 0.00 54.13 56.66 2k52 s LEU 73 Cb 0.01 -4.54 0.15 0.00 -0.56 0.00 0.00 46.19 41.25 2k52 s LEU 73 CO -0.05 -0.78 1.10 -1.84 -1.06 0.00 0.00 176.35 173.73