#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 -0.32 -0.02 6.12 2.15 -1.26 -5.09 116.67 118.25 2k52 s ASP 2 Ca 0.00 0.61 -0.20 0.00 0.43 0.00 0.00 52.55 53.39 2k52 s ASP 2 Cb 0.00 0.58 -0.05 0.00 -0.30 0.00 0.00 42.92 43.15 2k52 s ASP 2 CO 0.00 -0.13 0.58 -0.69 -0.17 0.00 0.00 175.17 174.76 2k52 s VAL 3 N 0.53 4.96 0.06 1.11 1.01 -1.26 -5.08 120.40 121.73 2k52 s VAL 3 Ca -0.03 1.21 0.07 0.00 0.00 0.00 0.00 61.98 63.23 2k52 s VAL 3 Cb -0.05 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2k52 s VAL 3 CO -0.03 0.40 -0.20 -1.61 0.00 0.00 0.00 175.10 173.66 2k52 s GLU 4 N -0.05 1.27 0.10 2.72 2.02 -1.26 -5.00 118.70 118.49 2k52 s GLU 4 Ca 0.31 -1.01 -0.31 0.00 0.02 0.00 0.00 54.97 53.98 2k52 s GLU 4 Cb -0.18 -1.43 -0.09 0.00 0.10 0.00 0.00 34.13 32.54 2k52 s GLU 4 CO 0.16 0.35 1.66 -1.25 0.02 0.00 0.00 175.26 176.20 2k52 s PRO 5 N -1.44 4.19 0.00 0.39 0.04 -1.26 -2.60 135.00 134.32 2k52 s PRO 5 Ca 0.07 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2k52 s PRO 5 Cb -0.09 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2k52 s PRO 5 CO 0.03 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.75 2k52 n GLY 6 N 3.97 0.48 3.89 0.56 0.00 0.85 -5.04 105.19 109.90 2k52 n GLY 6 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.88 3.69 -0.14 1.61 -0.14 -1.07 -4.84 119.74 117.97 2k52 s LYS 7 Ca 0.00 0.28 -0.13 0.00 -1.36 0.00 0.00 55.97 54.76 2k52 s LYS 7 Cb 0.00 -2.46 -0.05 0.00 -1.68 0.00 0.00 37.83 33.64 2k52 s LYS 7 CO 0.00 -0.00 0.27 -0.06 -0.76 0.00 0.00 175.35 174.79 2k52 s PHE 8 N -2.37 3.50 0.09 3.18 0.40 -1.26 -1.72 117.98 119.80 2k52 s PHE 8 Ca 0.48 0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 57.41 2k52 s PHE 8 Cb -0.10 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 2k52 s PHE 8 CO 0.34 0.36 0.01 0.71 0.70 0.00 0.00 175.22 177.33 2k52 s TYR 9 N 0.07 0.71 -0.11 0.36 2.02 -0.03 -5.01 117.35 115.37 2k52 s TYR 9 Ca 0.16 -1.14 0.04 0.00 -0.37 0.00 0.00 57.07 55.76 2k52 s TYR 9 Cb -0.13 -0.44 -0.00 0.00 -0.40 0.00 0.00 41.96 40.99 2k52 s TYR 9 CO 0.04 -0.43 -0.23 0.21 -1.57 0.00 0.00 175.55 173.57 2k52 s LYS 10 N -3.97 3.07 0.28 -0.62 2.20 -1.26 -0.52 119.74 118.91 2k52 s LYS 10 Ca 0.15 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 54.92 2k52 s LYS 10 Cb 0.08 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 2k52 s LYS 10 CO -0.04 0.17 0.25 0.20 -0.36 0.00 0.00 175.35 175.57 2k52 s GLY 11 N 0.38 1.85 -0.08 5.54 0.00 -0.51 -4.72 107.32 109.78 2k52 s GLY 11 Ca -0.18 -1.84 0.02 0.00 0.00 0.00 0.00 44.72 42.72 2k52 s GLY 11 CO 0.08 -1.37 -0.12 0.54 0.00 0.00 0.00 173.10 172.23 2k52 s VAL 12 N -3.69 3.19 -0.13 1.40 0.11 -0.62 -0.23 120.40 120.43 2k52 s VAL 12 Ca 0.38 -0.65 -0.29 0.00 -2.93 0.00 0.00 61.98 58.49 2k52 s VAL 12 Cb 0.04 -2.29 -0.03 0.00 -1.53 0.00 0.00 36.38 32.57 2k52 s VAL 12 CO 0.20 0.57 1.33 -0.69 -3.33 0.00 0.00 175.10 173.18 2k52 s VAL 13 N -0.36 4.13 -0.19 2.04 1.01 -0.02 -1.32 120.40 125.69 2k52 s VAL 13 Ca 0.04 1.38 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 2k52 s VAL 13 Cb -0.12 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 2k52 s VAL 13 CO 0.02 -0.10 -0.10 0.35 0.00 0.00 0.00 175.10 175.28 2k52 n THR 14 N 5.27 1.48 -3.94 3.92 -2.24 -0.12 -0.76 114.28 117.89 2k52 n THR 14 Ca 0.14 0.05 -0.10 0.00 -2.27 0.00 0.00 64.05 61.87 2k52 n THR 14 Cb 0.45 -2.20 -0.11 0.00 -2.10 0.00 0.00 70.33 66.36 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 0.28 -0.44 -0.78 1.70 -1.25 -4.73 118.95 111.33 2k52 s ARG 15 Ca -0.25 -0.45 -0.15 0.00 -0.47 0.00 0.00 55.73 54.41 2k52 s ARG 15 Cb 0.05 0.11 0.04 0.00 -0.57 0.00 0.00 34.95 34.58 2k52 s ARG 15 CO 0.41 -0.05 0.36 0.42 -1.08 0.00 0.00 175.30 175.36 2k52 s ILE 16 N -1.16 5.23 0.22 4.99 -1.09 -1.26 -2.28 121.20 125.85 2k52 s ILE 16 Ca -0.13 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 2k52 s ILE 16 Cb -0.08 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 2k52 s ILE 16 CO -0.00 -0.45 0.40 -1.61 -1.23 0.00 0.00 174.94 172.05 2k52 s GLU 17 N 1.72 3.50 0.00 2.79 0.41 0.02 -4.99 118.70 122.15 2k52 s GLU 17 Ca 0.05 -0.40 0.13 0.00 -0.41 0.00 0.00 54.97 54.35 2k52 s GLU 17 Cb -0.21 -2.83 0.63 0.00 -1.78 0.00 0.00 34.13 29.94 2k52 s GLU 17 CO 0.09 0.37 1.38 1.63 -0.49 0.00 0.00 175.26 178.24 2k52 n LYS 18 N -0.90 0.12 -0.07 1.61 5.02 -1.26 -1.44 118.16 121.24 2k52 n LYS 18 Ca -0.05 0.21 0.04 0.00 -2.02 0.00 0.00 58.31 56.48 2k52 n LYS 18 Cb 0.54 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 34.13 2k52 n LYS 18 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 2k52 n TYR 19 N -1.37 0.18 0.00 2.13 4.11 -1.26 -5.02 117.16 115.92 2k52 n TYR 19 Ca 0.05 -0.29 0.00 0.00 -0.00 0.00 0.00 57.90 57.67 2k52 n TYR 19 Cb 0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.44 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 0.28 2.98 3.50 -7.48 0.00 -0.52 -4.51 105.19 99.44 2k52 n GLY 20 Ca 0.06 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.00 3.12 -0.22 4.61 0.00 0.51 -0.80 121.76 126.99 2k52 s ALA 21 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 2k52 s ALA 21 Cb 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.34 2k52 s ALA 21 CO 0.00 -0.02 1.07 -0.06 0.00 0.00 0.00 175.76 176.75 2k52 s PHE 22 N 0.77 3.27 -0.10 0.00 0.08 -0.96 -0.92 117.98 120.11 2k52 s PHE 22 Ca 0.01 1.40 0.02 0.00 0.12 0.00 0.00 56.93 58.47 2k52 s PHE 22 Cb -0.14 -3.31 -0.02 0.00 -0.57 0.00 0.00 43.02 38.99 2k52 s PHE 22 CO 0.02 -0.67 -0.15 0.42 -0.10 0.00 0.00 175.22 174.74 2k52 s ILE 23 N 3.23 2.91 -0.23 0.64 1.01 -0.21 -0.95 121.20 127.59 2k52 s ILE 23 Ca 0.46 -0.74 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 2k52 s ILE 23 Cb -0.16 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 2k52 s ILE 23 CO 0.08 0.55 0.47 0.20 0.00 0.00 0.00 174.94 176.23 2k52 s ASN 24 N 0.02 6.44 0.17 3.58 0.01 -0.43 -0.90 114.94 123.83 2k52 s ASN 24 Ca -0.05 0.53 0.22 0.00 -0.71 0.00 0.00 52.86 52.85 2k52 s ASN 24 Cb -0.14 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 2k52 s ASN 24 CO 0.04 -0.20 0.99 0.18 -1.51 0.00 0.00 177.10 176.60 2k52 n LEU 25 N 5.08 0.82 -3.51 0.60 4.77 -0.75 -1.59 117.00 122.41 2k52 n LEU 25 Ca -0.06 0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 2k52 n LEU 25 Cb 0.50 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 2k52 n LEU 25 CO 0.40 -0.14 0.57 0.21 -1.33 0.00 0.00 177.39 177.11 2k52 s ASN 26 N -5.38 -0.42 0.32 -1.43 2.47 -1.14 -4.89 114.94 104.46 2k52 s ASN 26 Ca -0.01 -0.06 0.09 0.00 0.42 0.00 0.00 52.86 53.30 2k52 s ASN 26 Cb 0.10 0.49 0.89 0.00 -1.45 0.00 0.00 41.25 41.27 2k52 s ASN 26 CO 0.80 -0.81 1.71 -0.08 -3.72 0.00 0.00 177.10 175.00 2k52 h GLU 27 N 2.00 0.47 -0.72 0.43 4.81 -2.03 0.45 114.58 119.98 2k52 h GLU 27 Ca -0.27 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2k52 h GLU 27 Cb 1.27 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2k52 h GLU 27 CO 0.33 0.31 0.00 1.04 -0.73 0.00 0.00 179.01 179.95 2k52 n GLN 28 N -4.96 2.86 -3.86 1.92 1.13 -1.26 -4.91 117.38 108.30 2k52 n GLN 28 Ca 0.27 -2.68 -0.26 0.00 -1.94 0.00 0.00 57.00 52.39 2k52 n GLN 28 Cb 0.77 -1.60 -0.17 0.00 0.11 0.00 0.00 30.24 29.35 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 -1.10 0.82 -0.01 5.09 1.01 0.15 -5.11 120.40 121.25 2k52 s VAL 29 Ca 0.49 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.30 2k52 s VAL 29 Cb 0.26 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 2k52 s VAL 29 CO 0.32 0.31 -0.06 -0.60 0.00 0.00 0.00 175.10 175.07 2k52 s ARG 30 N 1.79 0.53 0.15 2.72 3.52 -1.26 -1.81 118.95 124.58 2k52 s ARG 30 Ca 0.05 -0.21 0.03 0.00 -0.13 0.00 0.00 55.73 55.47 2k52 s ARG 30 Cb -0.13 -0.52 -0.01 0.00 -1.56 0.00 0.00 34.95 32.74 2k52 s ARG 30 CO -0.07 0.12 0.11 0.41 -0.81 0.00 0.00 175.30 175.06 2k52 n GLY 31 N 3.02 3.57 3.09 8.12 0.00 -0.08 -4.55 105.19 118.36 2k52 n GLY 31 Ca -0.14 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 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 1.86 -0.34 0.99 2.96 0.16 -1.04 118.68 123.28 2k52 s LEU 32 Ca 0.16 -0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 2k52 s LEU 32 Cb 0.01 -1.23 0.01 0.00 0.50 0.00 0.00 46.19 45.47 2k52 s LEU 32 CO 0.11 0.03 0.17 -0.22 -1.32 0.00 0.00 176.35 175.12 2k52 s LEU 33 N 1.00 4.34 0.13 -0.68 2.96 -0.09 -0.54 118.68 125.80 2k52 s LEU 33 Ca -0.05 -0.71 -0.18 0.00 -0.22 0.00 0.00 54.13 52.97 2k52 s LEU 33 Cb -0.15 -2.01 -0.07 0.00 0.50 0.00 0.00 46.19 44.46 2k52 s LEU 33 CO -0.03 -0.27 0.60 -0.13 -1.32 0.00 0.00 176.35 175.20 2k52 s ARG 34 N 1.59 4.14 0.42 1.98 0.52 -1.26 -0.36 118.95 125.98 2k52 s ARG 34 Ca 0.03 0.69 0.10 0.00 -0.52 0.00 0.00 55.73 56.04 2k52 s ARG 34 Cb -0.18 -3.06 0.91 0.00 0.52 0.00 0.00 34.95 33.14 2k52 s ARG 34 CO 0.06 0.53 2.00 -1.00 0.02 0.00 0.00 175.30 176.92 2k52 h PRO 35 N 3.95 0.25 0.00 3.54 0.13 -1.96 -1.68 132.00 136.24 2k52 h PRO 35 Ca -0.49 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 2k52 h PRO 35 Cb 1.20 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2k52 h PRO 35 CO 0.65 0.29 -0.21 0.00 -0.23 0.00 0.00 178.00 178.49 2k52 h ARG 36 N 0.25 0.00 -0.48 0.86 3.08 -1.94 -2.01 114.38 114.14 2k52 h ARG 36 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2k52 h ARG 36 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2k52 h ARG 36 CO 0.00 0.21 0.00 -0.25 -1.07 0.00 0.00 179.97 178.86 2k52 n ASP 37 N -3.98 2.43 -4.90 7.04 8.00 -0.64 -4.89 116.55 119.61 2k52 n ASP 37 Ca -0.02 -2.11 -0.28 0.00 0.71 0.00 0.00 54.79 53.10 2k52 n ASP 37 Cb 0.29 -0.34 0.02 0.00 -0.02 0.00 0.00 41.12 41.07 2k52 n ASP 37 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2k52 s MET 38 N -1.57 3.24 -0.05 -1.24 -1.94 -0.76 -1.42 119.30 115.56 2k52 s MET 38 Ca 0.27 0.22 -0.07 0.00 -1.71 0.00 0.00 55.69 54.40 2k52 s MET 38 Cb 0.16 -2.26 -0.03 0.00 2.01 0.00 0.00 34.83 34.70 2k52 s MET 38 CO 0.16 -0.53 -0.15 -0.89 -0.01 0.00 0.00 175.02 173.60 2k52 n ILE 39 N -2.53 1.12 -0.06 2.53 2.08 -1.26 -4.92 119.36 116.34 2k52 n ILE 39 Ca 0.03 0.14 -0.09 0.00 0.56 0.00 0.00 62.75 63.40 2k52 n ILE 39 Cb 0.56 -1.83 -0.05 0.00 -0.75 0.00 0.00 39.64 37.57 2k52 n ILE 39 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2k52 n SER 40 N -3.79 2.60 -4.74 4.38 2.88 -1.26 -5.03 113.62 108.65 2k52 n SER 40 Ca -0.12 -0.01 -0.40 0.00 -1.33 0.00 0.00 58.87 57.01 2k52 n SER 40 Cb 0.37 -0.21 -0.05 0.00 -0.75 0.00 0.00 64.21 63.56 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 -5.87 4.59 0.14 2.46 1.43 -1.26 -5.08 118.68 115.09 2k52 s LEU 41 Ca -0.15 1.87 0.09 0.00 -1.03 0.00 0.00 54.13 54.91 2k52 s LEU 41 Cb 0.04 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2k52 s LEU 41 CO 0.24 0.08 -0.16 -0.13 0.23 0.00 0.00 176.35 176.61 2k52 s ARG 42 N -0.74 1.85 0.42 1.70 1.81 -1.26 -4.79 118.95 117.93 2k52 s ARG 42 Ca 0.43 -1.22 0.17 0.00 -1.72 0.00 0.00 55.73 53.38 2k52 s ARG 42 Cb -0.25 -2.11 1.06 0.00 -0.45 0.00 0.00 34.95 33.20 2k52 s ARG 42 CO 0.31 0.46 1.86 -0.07 -0.68 0.00 0.00 175.30 177.18 2k52 h LEU 43 N 3.46 0.42 -2.57 2.53 3.38 -1.96 -0.25 115.31 120.31 2k52 h LEU 43 Ca -0.49 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2k52 h LEU 43 Cb 1.18 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2k52 h LEU 43 CO 0.49 0.18 0.14 -0.33 0.09 0.00 0.00 178.44 179.00 2k52 h GLU 44 N 0.42 0.00 -0.00 1.13 5.08 -1.99 -2.12 114.58 117.09 2k52 h GLU 44 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2k52 h GLU 44 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2k52 h GLU 44 CO -0.17 0.00 -0.18 0.09 -1.00 0.00 0.00 179.01 177.74 2k52 n ASN 45 N -3.01 0.96 -4.81 1.42 3.02 -0.12 -5.04 115.26 107.69 2k52 n ASN 45 Ca -0.03 -0.98 -0.35 0.00 -0.03 0.00 0.00 54.58 53.19 2k52 n ASN 45 Cb 0.20 0.53 -0.06 0.00 -0.61 0.00 0.00 39.78 39.84 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 -1.56 4.24 0.16 3.41 1.43 -0.80 -5.01 118.68 120.55 2k52 s LEU 46 Ca 0.06 1.59 0.09 0.00 -1.03 0.00 0.00 54.13 54.84 2k52 s LEU 46 Cb 0.06 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 2k52 s LEU 46 CO 0.20 -0.09 -0.21 0.20 0.23 0.00 0.00 176.35 176.68 2k52 s ASN 47 N -1.80 2.92 -0.22 2.29 0.01 -1.26 -5.02 114.94 111.86 2k52 s ASN 47 Ca 0.50 -0.83 -0.29 0.00 -0.71 0.00 0.00 52.86 51.53 2k52 s ASN 47 Cb -0.15 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.28 2k52 s ASN 47 CO 0.20 0.04 1.82 -0.69 -1.51 0.00 0.00 177.10 176.96 2k52 s VAL 48 N -1.74 3.43 0.00 1.60 1.01 -1.26 -2.30 120.40 121.14 2k52 s VAL 48 Ca 0.16 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2k52 s VAL 48 Cb -0.07 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2k52 s VAL 48 CO 0.07 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.55 2k52 n GLY 49 N 5.05 1.53 3.68 4.51 0.00 0.06 -5.03 105.19 114.99 2k52 n GLY 49 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.95 6.54 -0.48 1.61 1.01 -0.97 -4.69 116.67 117.74 2k52 s ASP 50 Ca 0.00 2.57 -0.22 0.00 0.71 0.00 0.00 52.55 55.60 2k52 s ASP 50 Cb 0.00 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.40 2k52 s ASP 50 CO 0.00 -0.94 0.78 -1.61 0.21 0.00 0.00 175.17 173.61 2k52 s GLU 51 N 2.95 3.33 -0.06 8.23 2.02 -1.26 -0.84 118.70 133.06 2k52 s GLU 51 Ca 0.77 -0.30 0.03 0.00 0.02 0.00 0.00 54.97 55.50 2k52 s GLU 51 Cb -0.41 -3.99 -0.03 0.00 0.10 0.00 0.00 34.13 29.80 2k52 s GLU 51 CO 0.34 -1.20 -0.14 0.42 0.02 0.00 0.00 175.26 174.70 2k52 s ILE 52 N 3.27 3.06 -0.22 -1.63 1.01 0.68 -4.93 121.20 122.45 2k52 s ILE 52 Ca 0.27 -0.72 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 2k52 s ILE 52 Cb -0.13 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 2k52 s ILE 52 CO 0.20 0.59 0.83 -0.63 0.00 0.00 0.00 174.94 175.93 2k52 s ILE 53 N -0.65 4.85 0.07 2.92 1.01 -1.26 -1.42 121.20 126.72 2k52 s ILE 53 Ca 0.10 1.59 0.03 0.00 0.00 0.00 0.00 60.65 62.37 2k52 s ILE 53 Cb -0.11 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2k52 s ILE 53 CO 0.01 -0.04 -0.09 0.68 0.00 0.00 0.00 174.94 175.49 2k52 s VAL 54 N 2.64 0.76 -0.15 2.92 -7.23 0.32 -4.34 120.40 115.33 2k52 s VAL 54 Ca 0.36 -1.44 -0.06 0.00 -1.81 0.00 0.00 61.98 59.04 2k52 s VAL 54 Cb -0.16 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 2k52 s VAL 54 CO 0.09 -0.51 0.05 -1.58 -0.31 0.00 0.00 175.10 172.84 2k52 s GLN 55 N -2.38 3.62 -0.49 4.82 0.74 -0.19 -0.85 119.66 124.94 2k52 s GLN 55 Ca -0.00 -0.35 -0.28 0.00 0.05 0.00 0.00 55.36 54.78 2k52 s GLN 55 Cb -0.05 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.99 2k52 s GLN 55 CO -0.00 0.45 1.54 0.00 -0.55 0.00 0.00 175.29 176.73 2k52 s ALA 56 N -0.15 2.80 0.00 1.58 0.00 -0.70 -0.69 121.76 124.60 2k52 s ALA 56 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2k52 s ALA 56 Cb -0.12 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2k52 s ALA 56 CO 0.01 -2.86 0.77 -0.89 0.00 0.00 0.00 175.76 172.80 2k52 n ILE 57 N 7.07 0.00 -4.74 0.00 5.41 0.12 -0.11 119.36 127.11 2k52 n ILE 57 Ca 0.16 1.27 -0.24 0.00 1.00 0.00 0.00 62.75 64.95 2k52 n ILE 57 Cb 0.49 -2.27 -0.15 0.00 -0.71 0.00 0.00 39.64 37.00 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 -2.22 1.85 -0.27 4.38 1.01 -1.25 -4.14 116.67 116.03 2k52 s ASP 58 Ca 0.00 -0.29 0.00 0.00 0.71 0.00 0.00 52.55 52.98 2k52 s ASP 58 Cb 0.00 -0.24 0.08 0.00 1.01 0.00 0.00 42.92 43.77 2k52 s ASP 58 CO 0.00 0.19 0.03 -0.69 0.21 0.00 0.00 175.17 174.90 2k52 s VAL 59 N -0.31 1.33 -0.34 -1.27 1.01 -1.26 -2.29 120.40 117.26 2k52 s VAL 59 Ca 0.05 -1.40 0.03 0.00 0.00 0.00 0.00 61.98 60.66 2k52 s VAL 59 Cb -0.07 -1.82 0.10 0.00 0.00 0.00 0.00 36.38 34.59 2k52 s VAL 59 CO -0.00 -0.39 0.05 -0.13 0.00 0.00 0.00 175.10 174.62 2k52 s ARG 60 N 1.43 1.58 0.49 2.72 0.52 -1.20 -4.87 118.95 119.61 2k52 s ARG 60 Ca 0.03 -1.84 0.21 0.00 -0.52 0.00 0.00 55.73 53.61 2k52 s ARG 60 Cb -0.18 -3.22 1.25 0.00 0.52 0.00 0.00 34.95 33.32 2k52 s ARG 60 CO -0.13 -0.92 1.97 -1.00 0.02 0.00 0.00 175.30 175.23 2k52 h PRO 61 N 7.66 0.17 -0.57 3.54 0.13 -1.96 0.09 132.00 141.05 2k52 h PRO 61 Ca -0.06 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.09 2k52 h PRO 61 Cb 1.02 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2k52 h PRO 61 CO 0.53 0.11 0.38 1.05 -0.23 0.00 0.00 178.00 179.84 2k52 h GLU 62 N 0.18 0.67 0.00 0.86 4.11 -1.97 -2.36 114.58 116.06 2k52 h GLU 62 Ca 0.30 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.69 2k52 h GLU 62 Cb 0.94 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2k52 h GLU 62 CO -0.05 0.44 -1.20 1.63 0.07 0.00 0.00 179.01 179.90 2k52 n LYS 63 N -4.46 0.47 -1.45 1.06 4.76 -0.09 -4.96 118.16 113.49 2k52 n LYS 63 Ca 0.06 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.35 2k52 n LYS 63 Cb 0.12 -1.66 -0.07 0.00 -1.84 0.00 0.00 35.03 31.58 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 -2.27 -1.19 -4.95 1.97 1.74 -0.57 -4.99 116.66 106.40 2k52 n ARG 64 Ca 0.00 1.04 -0.32 0.00 -0.77 0.00 0.00 57.85 57.79 2k52 n ARG 64 Cb 0.50 -5.24 -0.14 0.00 -1.02 0.00 0.00 32.46 26.56 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 -3.28 2.67 -0.14 5.56 2.02 -1.24 -5.03 118.70 119.26 2k52 s GLU 65 Ca 0.00 -0.74 -0.00 0.00 0.02 0.00 0.00 54.97 54.25 2k52 s GLU 65 Cb 0.00 -2.38 0.03 0.00 0.10 0.00 0.00 34.13 31.88 2k52 s GLU 65 CO 0.00 0.50 -0.07 0.42 0.02 0.00 0.00 175.26 176.13 2k52 s ILE 66 N -0.41 1.13 0.11 -1.63 1.01 -1.26 -3.28 121.20 116.86 2k52 s ILE 66 Ca 0.05 -0.50 -0.23 0.00 0.00 0.00 0.00 60.65 59.97 2k52 s ILE 66 Cb -0.12 -1.21 -0.07 0.00 0.01 0.00 0.00 42.46 41.06 2k52 s ILE 66 CO 0.02 0.26 0.70 -1.81 0.00 0.00 0.00 174.94 174.11 2k52 s ASP 67 N 1.65 7.24 0.20 3.58 1.01 -0.97 -0.67 116.67 128.71 2k52 s ASP 67 Ca 0.03 1.47 0.08 0.00 0.71 0.00 0.00 52.55 54.84 2k52 s ASP 67 Cb -0.14 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2k52 s ASP 67 CO -0.08 0.19 -0.04 -0.36 0.21 0.00 0.00 175.17 175.09 2k52 s PHE 68 N -0.90 2.73 0.02 4.23 0.08 0.30 0.12 117.98 124.57 2k52 s PHE 68 Ca 0.34 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 57.22 2k52 s PHE 68 Cb -0.21 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 40.93 2k52 s PHE 68 CO 0.23 0.54 -0.08 0.21 -0.10 0.00 0.00 175.22 176.02 2k52 s LYS 69 N -3.10 0.58 -0.21 0.44 2.20 0.13 -4.12 119.74 115.66 2k52 s LYS 69 Ca 0.28 -0.55 -0.22 0.00 -0.36 0.00 0.00 55.97 55.12 2k52 s LYS 69 Cb -0.08 -0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 35.74 2k52 s LYS 69 CO 0.18 0.11 0.68 -0.47 -0.36 0.00 0.00 175.35 175.49 2k52 s TYR 70 N -0.81 3.35 0.10 4.03 6.14 -0.51 -1.02 117.35 128.63 2k52 s TYR 70 Ca -0.03 0.97 0.10 0.00 0.64 0.00 0.00 57.07 58.75 2k52 s TYR 70 Cb -0.07 -2.87 -0.04 0.00 0.42 0.00 0.00 41.96 39.41 2k52 s TYR 70 CO 0.00 -0.25 -0.25 0.96 0.64 0.00 0.00 175.55 176.65 2k52 s ILE 71 N 2.21 2.36 0.08 3.14 -4.36 -1.26 -4.40 121.20 118.97 2k52 s ILE 71 Ca 0.30 -1.61 -0.31 0.00 -0.26 0.00 0.00 60.65 58.77 2k52 s ILE 71 Cb -0.16 -2.02 -0.07 0.00 1.25 0.00 0.00 42.46 41.46 2k52 s ILE 71 CO 0.10 0.16 1.45 -2.84 0.24 0.00 0.00 174.94 174.05 2k52 s PRO 72 N -1.86 4.28 -0.77 0.37 0.02 -1.26 -4.95 135.00 130.83 2k52 s PRO 72 Ca 0.14 2.10 -0.26 0.00 0.02 0.00 0.00 61.00 63.01 2k52 s PRO 72 Cb -0.10 -3.39 0.01 0.00 0.02 0.00 0.00 34.50 31.04 2k52 s PRO 72 CO 0.06 -0.54 1.54 -1.17 -0.33 0.00 0.00 177.00 176.56 2k52 s LEU 73 N 1.73 3.25 0.00 -5.54 0.20 -1.26 -5.21 118.68 111.85 2k52 s LEU 73 Ca 0.66 -0.41 0.00 0.00 0.69 0.00 0.00 54.13 55.07 2k52 s LEU 73 Cb -0.36 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.85 2k52 s LEU 73 CO 0.29 -2.03 0.48 -0.62 -0.29 0.00 0.00 176.35 174.19