#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 -0.58 -0.14 6.12 2.15 -1.26 -5.14 116.67 117.83 2k52 s ASP 2 Ca 0.00 1.02 0.02 0.00 0.43 0.00 0.00 52.55 54.02 2k52 s ASP 2 Cb 0.00 0.95 0.01 0.00 -0.30 0.00 0.00 42.92 43.58 2k52 s ASP 2 CO 0.00 -0.19 -0.21 -0.69 -0.17 0.00 0.00 175.17 173.91 2k52 s VAL 3 N 1.00 2.00 0.57 1.11 1.01 -1.26 -5.13 120.40 119.70 2k52 s VAL 3 Ca -0.06 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2k52 s VAL 3 Cb -0.06 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.60 2k52 s VAL 3 CO -0.09 0.54 0.79 -1.61 0.00 0.00 0.00 175.10 174.73 2k52 s GLU 4 N 0.89 2.36 0.64 2.72 2.02 -1.26 -4.94 118.70 121.13 2k52 s GLU 4 Ca -0.06 -1.06 -0.15 0.00 0.02 0.00 0.00 54.97 53.72 2k52 s GLU 4 Cb -0.15 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 2k52 s GLU 4 CO -0.03 -0.83 1.10 -2.14 0.02 0.00 0.00 175.26 173.38 2k52 s PRO 5 N -4.76 2.94 -1.35 0.39 0.02 -1.26 -3.89 135.00 127.09 2k52 s PRO 5 Ca 0.60 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.98 2k52 s PRO 5 Cb -0.08 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.47 2k52 s PRO 5 CO 0.39 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 2k52 n GLY 6 N -0.58 1.07 3.90 0.52 0.00 0.44 -4.97 105.19 105.57 2k52 n GLY 6 Ca 0.10 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.44 3.62 -0.28 1.61 -0.14 -1.15 -4.86 119.74 115.10 2k52 s LYS 7 Ca 0.00 -0.08 -0.11 0.00 -1.36 0.00 0.00 55.97 54.42 2k52 s LYS 7 Cb 0.00 -2.84 -0.05 0.00 -1.68 0.00 0.00 37.83 33.27 2k52 s LYS 7 CO 0.00 0.46 0.18 -0.06 -0.76 0.00 0.00 175.35 175.17 2k52 s PHE 8 N -1.68 3.21 0.10 3.18 0.40 -1.26 -0.51 117.98 121.43 2k52 s PHE 8 Ca 0.41 0.08 -0.09 0.00 -0.60 0.00 0.00 56.93 56.74 2k52 s PHE 8 Cb -0.12 -2.37 -0.00 0.00 0.51 0.00 0.00 43.02 41.03 2k52 s PHE 8 CO 0.25 -0.18 0.20 0.71 0.70 0.00 0.00 175.22 176.91 2k52 s TYR 9 N 1.75 0.21 -0.25 0.36 2.02 -0.89 -5.02 117.35 115.53 2k52 s TYR 9 Ca 0.07 -0.63 -0.10 0.00 -0.37 0.00 0.00 57.07 56.04 2k52 s TYR 9 Cb -0.16 -0.07 -0.05 0.00 -0.40 0.00 0.00 41.96 41.29 2k52 s TYR 9 CO 0.11 -0.57 0.15 0.21 -1.57 0.00 0.00 175.55 173.87 2k52 s LYS 10 N -3.88 3.93 0.34 -0.62 2.20 -1.26 -0.73 119.74 119.72 2k52 s LYS 10 Ca 0.07 -0.34 0.07 0.00 -0.36 0.00 0.00 55.97 55.41 2k52 s LYS 10 Cb 0.05 -3.52 -0.07 0.00 -1.51 0.00 0.00 37.83 32.78 2k52 s LYS 10 CO -0.09 -0.06 -0.02 0.20 -0.36 0.00 0.00 175.35 175.02 2k52 s GLY 11 N 1.38 2.16 -0.13 5.54 0.00 0.29 -4.78 107.32 111.78 2k52 s GLY 11 Ca 0.07 -2.10 -0.02 0.00 0.00 0.00 0.00 44.72 42.67 2k52 s GLY 11 CO 0.07 -1.95 -0.06 0.54 0.00 0.00 0.00 173.10 171.70 2k52 s VAL 12 N -2.91 3.73 0.04 1.40 0.11 -0.42 0.05 120.40 122.40 2k52 s VAL 12 Ca 0.33 -0.43 -0.31 0.00 -2.93 0.00 0.00 61.98 58.65 2k52 s VAL 12 Cb 0.06 -2.59 -0.06 0.00 -1.53 0.00 0.00 36.38 32.26 2k52 s VAL 12 CO 0.15 0.53 1.36 -0.69 -3.33 0.00 0.00 175.10 173.13 2k52 s VAL 13 N 0.01 3.66 -0.07 2.04 1.01 -0.38 -1.40 120.40 125.26 2k52 s VAL 13 Ca -0.00 1.11 -0.08 0.00 0.00 0.00 0.00 61.98 63.01 2k52 s VAL 13 Cb -0.14 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2k52 s VAL 13 CO 0.03 0.04 -0.16 0.35 0.00 0.00 0.00 175.10 175.35 2k52 n THR 14 N 4.36 0.82 -4.79 3.92 -2.24 -0.03 -0.94 114.28 115.37 2k52 n THR 14 Ca 0.12 0.28 -0.25 0.00 -2.27 0.00 0.00 64.05 61.94 2k52 n THR 14 Cb 0.44 -1.86 -0.16 0.00 -2.10 0.00 0.00 70.33 66.65 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 -1.98 1.48 -0.27 -0.78 1.70 -1.23 -4.64 118.95 113.23 2k52 s ARG 15 Ca -0.13 -0.59 -0.14 0.00 -0.47 0.00 0.00 55.73 54.40 2k52 s ARG 15 Cb 0.02 -1.38 -0.04 0.00 -0.57 0.00 0.00 34.95 32.98 2k52 s ARG 15 CO 0.20 0.31 0.32 0.42 -1.08 0.00 0.00 175.30 175.47 2k52 s ILE 16 N -0.22 5.21 0.53 4.99 -1.09 -1.26 -1.71 121.20 127.64 2k52 s ILE 16 Ca 0.03 0.47 0.07 0.00 -2.23 0.00 0.00 60.65 58.98 2k52 s ILE 16 Cb -0.08 -3.65 0.04 0.00 -1.58 0.00 0.00 42.46 37.18 2k52 s ILE 16 CO 0.00 0.19 0.48 -1.61 -1.23 0.00 0.00 174.94 172.77 2k52 s GLU 17 N 1.93 2.32 0.20 2.79 0.41 0.69 -5.02 118.70 122.02 2k52 s GLU 17 Ca 0.13 -1.85 0.20 0.00 -0.41 0.00 0.00 54.97 53.05 2k52 s GLU 17 Cb -0.16 -2.26 0.01 0.00 -1.78 0.00 0.00 34.13 29.94 2k52 s GLU 17 CO 0.10 -0.58 1.08 0.87 -0.49 0.00 0.00 175.26 176.24 2k52 h LYS 18 N 0.69 0.00 -0.31 1.61 1.57 -2.01 -3.33 116.57 114.78 2k52 h LYS 18 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2k52 h LYS 18 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2k52 h LYS 18 CO 0.54 0.11 0.00 2.48 -0.57 0.00 0.00 179.45 182.01 2k52 n TYR 19 N -2.83 0.40 -2.60 -1.35 0.18 -1.26 -4.99 117.16 104.71 2k52 n TYR 19 Ca -0.02 -0.20 0.00 0.00 1.88 0.00 0.00 57.90 59.56 2k52 n TYR 19 Cb 0.64 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.60 2k52 n TYR 19 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k52 n GLY 20 N 1.43 -0.52 2.84 -7.48 0.00 -1.25 -4.44 105.19 95.76 2k52 n GLY 20 Ca 0.18 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 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 0.60 -0.09 4.61 0.00 -0.40 -0.22 121.76 125.27 2k52 s ALA 21 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 2k52 s ALA 21 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2k52 s ALA 21 CO 0.00 -0.16 1.16 -0.06 0.00 0.00 0.00 175.76 176.70 2k52 s PHE 22 N 1.26 3.23 -0.03 0.00 0.08 -0.70 -0.12 117.98 121.70 2k52 s PHE 22 Ca -0.06 1.28 0.07 0.00 0.12 0.00 0.00 56.93 58.34 2k52 s PHE 22 Cb -0.13 -3.38 -0.01 0.00 -0.57 0.00 0.00 43.02 38.92 2k52 s PHE 22 CO -0.02 -1.10 -0.24 0.42 -0.10 0.00 0.00 175.22 174.18 2k52 s ILE 23 N 2.36 1.92 -0.24 0.64 1.01 -0.39 -0.85 121.20 125.65 2k52 s ILE 23 Ca 0.54 -1.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 2k52 s ILE 23 Cb -0.23 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 2k52 s ILE 23 CO 0.20 0.54 0.15 0.20 0.00 0.00 0.00 174.94 176.03 2k52 s ASN 24 N -0.39 6.08 0.08 3.58 0.01 -0.49 -1.12 114.94 122.69 2k52 s ASN 24 Ca 0.04 0.11 0.24 0.00 -0.71 0.00 0.00 52.86 52.54 2k52 s ASN 24 Cb -0.11 -2.10 0.36 0.00 0.41 0.00 0.00 41.25 39.82 2k52 s ASN 24 CO 0.01 0.07 1.32 0.18 -1.51 0.00 0.00 177.10 177.17 2k52 n LEU 25 N 4.26 0.63 -3.54 0.60 4.77 0.06 -1.29 117.00 122.49 2k52 n LEU 25 Ca -0.15 0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 2k52 n LEU 25 Cb 0.52 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2k52 n LEU 25 CO 0.35 -0.00 0.78 0.21 -1.33 0.00 0.00 177.39 177.40 2k52 s ASN 26 N -3.90 -0.29 0.34 -1.43 3.84 -1.02 -4.92 114.94 107.56 2k52 s ASN 26 Ca 0.07 -0.02 0.12 0.00 0.21 0.00 0.00 52.86 53.25 2k52 s ASN 26 Cb 0.14 0.32 0.96 0.00 -0.55 0.00 0.00 41.25 42.13 2k52 s ASN 26 CO 0.72 -0.52 1.73 -0.08 -2.79 0.00 0.00 177.10 176.16 2k52 h GLU 27 N 2.00 0.49 0.00 0.43 4.81 -2.02 -1.82 114.58 118.48 2k52 h GLU 27 Ca -0.19 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 58.83 2k52 h GLU 27 Cb 1.22 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 2k52 h GLU 27 CO 0.28 0.33 -1.85 1.04 -0.73 0.00 0.00 179.01 178.08 2k52 n GLN 28 N -4.84 0.65 -3.04 1.92 1.13 -1.26 -4.82 117.38 107.12 2k52 n GLN 28 Ca 0.27 0.05 -0.44 0.00 -1.94 0.00 0.00 57.00 54.95 2k52 n GLN 28 Cb 0.81 -1.65 -0.05 0.00 0.11 0.00 0.00 30.24 29.46 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 -2.94 4.67 -0.02 5.09 1.01 -0.68 -5.02 120.40 122.51 2k52 s VAL 29 Ca -0.06 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2k52 s VAL 29 Cb 0.09 -4.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 2k52 s VAL 29 CO 0.84 -1.07 -0.12 -0.60 0.00 0.00 0.00 175.10 174.15 2k52 s ARG 30 N 3.13 1.10 0.00 2.72 3.52 -1.26 -0.76 118.95 127.39 2k52 s ARG 30 Ca 0.18 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 2k52 s ARG 30 Cb -0.19 -1.03 0.00 0.00 -1.56 0.00 0.00 34.95 32.17 2k52 s ARG 30 CO 0.11 0.21 0.00 0.41 -0.81 0.00 0.00 175.30 175.22 2k52 n GLY 31 N 2.99 4.08 3.06 8.12 0.00 -0.28 -4.48 105.19 118.68 2k52 n GLY 31 Ca -0.16 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.24 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 1.72 -0.34 0.99 2.96 0.62 -1.27 118.68 123.36 2k52 s LEU 32 Ca 0.00 -0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 53.39 2k52 s LEU 32 Cb 0.00 -0.92 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 2k52 s LEU 32 CO 0.00 0.05 0.50 -0.22 -1.32 0.00 0.00 176.35 175.36 2k52 s LEU 33 N 0.61 4.31 0.18 -0.68 2.96 0.82 -0.27 118.68 126.60 2k52 s LEU 33 Ca -0.15 0.04 -0.26 0.00 -0.22 0.00 0.00 54.13 53.53 2k52 s LEU 33 Cb -0.16 -2.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.87 2k52 s LEU 33 CO 0.05 -0.44 0.80 -0.13 -1.32 0.00 0.00 176.35 175.30 2k52 s ARG 34 N 2.35 4.61 0.40 1.98 0.52 -1.20 -1.27 118.95 126.34 2k52 s ARG 34 Ca 0.18 1.20 0.07 0.00 -0.52 0.00 0.00 55.73 56.67 2k52 s ARG 34 Cb -0.16 -3.26 0.82 0.00 0.52 0.00 0.00 34.95 32.88 2k52 s ARG 34 CO 0.13 0.57 2.04 -1.35 0.02 0.00 0.00 175.30 176.70 2k52 h PRO 35 N 4.30 0.60 0.00 3.54 0.11 -1.94 -2.34 132.00 136.27 2k52 h PRO 35 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2k52 h PRO 35 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2k52 h PRO 35 CO 0.66 0.39 0.00 0.54 -0.21 0.00 0.00 178.00 179.39 2k52 n ARG 36 N -4.47 0.19 -0.35 1.05 1.74 -1.26 -2.78 116.66 110.78 2k52 n ARG 36 Ca 0.05 0.18 0.11 0.00 -0.77 0.00 0.00 57.85 57.42 2k52 n ARG 36 Cb 0.09 -1.73 0.30 0.00 -1.02 0.00 0.00 32.46 30.11 2k52 n ARG 36 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2k52 n ASP 37 N -2.06 3.69 -4.63 0.55 9.92 -0.88 -4.91 116.55 118.23 2k52 n ASP 37 Ca 0.06 -2.00 -0.41 0.00 -0.53 0.00 0.00 54.79 51.90 2k52 n ASP 37 Cb 0.39 -0.46 -0.06 0.00 -0.64 0.00 0.00 41.12 40.35 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 -1.09 4.12 -0.04 -1.24 -1.94 -1.12 -1.44 119.30 116.57 2k52 s MET 38 Ca 0.46 0.61 -0.00 0.00 -1.71 0.00 0.00 55.69 55.05 2k52 s MET 38 Cb 0.24 -3.65 -0.00 0.00 2.01 0.00 0.00 34.83 33.43 2k52 s MET 38 CO 0.31 -0.43 -0.00 0.82 -0.01 0.00 0.00 175.02 175.71 2k52 h ILE 39 N 5.41 0.00 0.00 2.53 1.08 -1.91 -3.45 117.51 121.17 2k52 h ILE 39 Ca -0.26 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 2k52 h ILE 39 Cb 1.12 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 2k52 h ILE 39 CO 0.79 0.00 -0.37 -1.20 -0.69 0.00 0.00 178.15 176.68 2k52 n SER 40 N -2.99 1.29 -4.83 1.72 7.64 -1.26 -4.99 113.62 110.20 2k52 n SER 40 Ca -0.00 0.52 -0.33 0.00 1.01 0.00 0.00 58.87 60.07 2k52 n SER 40 Cb 0.00 -0.76 -0.06 0.00 -1.01 0.00 0.00 64.21 62.38 2k52 n SER 40 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2k52 s LEU 41 N -7.16 3.84 0.30 -3.43 1.43 -1.26 -5.10 118.68 107.30 2k52 s LEU 41 Ca -0.11 1.62 0.10 0.00 -1.03 0.00 0.00 54.13 54.71 2k52 s LEU 41 Cb 0.01 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 2k52 s LEU 41 CO 0.16 -0.43 -0.05 -0.13 0.23 0.00 0.00 176.35 176.14 2k52 s ARG 42 N -3.47 2.04 0.42 1.70 1.81 -1.26 -4.75 118.95 115.45 2k52 s ARG 42 Ca 0.60 -1.66 0.20 0.00 -1.72 0.00 0.00 55.73 53.15 2k52 s ARG 42 Cb -0.09 -1.96 1.14 0.00 -0.45 0.00 0.00 34.95 33.59 2k52 s ARG 42 CO 0.19 0.25 1.82 -0.07 -0.68 0.00 0.00 175.30 176.82 2k52 h LEU 43 N 1.95 0.38 -1.39 2.53 3.38 -1.95 0.28 115.31 120.49 2k52 h LEU 43 Ca -0.43 0.05 0.18 0.00 0.09 0.00 0.00 57.88 57.78 2k52 h LEU 43 Cb 1.25 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 2k52 h LEU 43 CO 0.63 0.12 0.59 -0.33 0.09 0.00 0.00 178.44 179.54 2k52 h GLU 44 N 0.36 0.52 -0.02 1.13 5.08 -1.95 -2.05 114.58 117.64 2k52 h GLU 44 Ca 0.52 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2k52 h GLU 44 Cb 1.38 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2k52 h GLU 44 CO -0.20 0.34 -0.21 0.09 -1.00 0.00 0.00 179.01 178.03 2k52 n ASN 45 N -4.55 2.35 -4.79 1.42 3.02 0.08 -4.94 115.26 107.84 2k52 n ASN 45 Ca 0.19 -1.69 -0.39 0.00 -0.03 0.00 0.00 54.58 52.66 2k52 n ASN 45 Cb 0.61 0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.92 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 -2.23 4.51 0.26 3.41 1.43 -0.77 -4.99 118.68 120.30 2k52 s LEU 46 Ca 0.25 1.29 0.08 0.00 -1.03 0.00 0.00 54.13 54.72 2k52 s LEU 46 Cb 0.19 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 2k52 s LEU 46 CO 0.43 0.22 -0.10 0.20 0.23 0.00 0.00 176.35 177.33 2k52 s ASN 47 N -0.87 2.86 -0.18 2.29 0.01 -1.26 -5.00 114.94 112.79 2k52 s ASN 47 Ca 0.31 -1.13 -0.29 0.00 -0.71 0.00 0.00 52.86 51.04 2k52 s ASN 47 Cb -0.20 -0.18 -0.04 0.00 0.41 0.00 0.00 41.25 41.24 2k52 s ASN 47 CO 0.20 -0.25 1.74 -0.69 -1.51 0.00 0.00 177.10 176.59 2k52 s VAL 48 N -2.92 3.51 0.00 1.60 1.01 -1.26 -2.45 120.40 119.89 2k52 s VAL 48 Ca 0.28 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2k52 s VAL 48 Cb 0.02 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2k52 s VAL 48 CO 0.11 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.61 2k52 n GLY 49 N 4.78 2.01 3.58 4.51 0.00 -0.11 -5.03 105.19 114.93 2k52 n GLY 49 Ca 0.20 0.00 -0.40 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 -1.86 5.18 -0.54 1.61 1.01 -1.03 -4.68 116.67 116.37 2k52 s ASP 50 Ca 0.00 1.36 -0.26 0.00 0.71 0.00 0.00 52.55 54.36 2k52 s ASP 50 Cb 0.00 -2.51 0.03 0.00 1.01 0.00 0.00 42.92 41.45 2k52 s ASP 50 CO 0.00 -2.26 1.03 -1.61 0.21 0.00 0.00 175.17 172.54 2k52 s GLU 51 N 6.92 3.46 0.15 8.23 2.02 -1.26 -1.25 118.70 136.96 2k52 s GLU 51 Ca 0.92 0.04 0.11 0.00 0.02 0.00 0.00 54.97 56.06 2k52 s GLU 51 Cb -0.24 -4.00 -0.04 0.00 0.10 0.00 0.00 34.13 29.95 2k52 s GLU 51 CO 0.30 -1.49 -0.25 0.42 0.02 0.00 0.00 175.26 174.27 2k52 s ILE 52 N 4.26 2.18 -0.31 -1.63 1.01 0.11 -4.92 121.20 121.90 2k52 s ILE 52 Ca 0.37 -1.83 -0.26 0.00 0.00 0.00 0.00 60.65 58.92 2k52 s ILE 52 Cb -0.10 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.41 2k52 s ILE 52 CO 0.24 -0.03 0.94 -0.63 0.00 0.00 0.00 174.94 175.45 2k52 s ILE 53 N -1.35 4.66 0.06 2.92 1.01 -1.26 -0.55 121.20 126.69 2k52 s ILE 53 Ca 0.15 1.50 0.04 0.00 0.00 0.00 0.00 60.65 62.34 2k52 s ILE 53 Cb -0.09 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 2k52 s ILE 53 CO 0.07 -0.35 -0.11 0.68 0.00 0.00 0.00 174.94 175.23 2k52 s VAL 54 N 3.28 0.89 -0.22 2.92 -7.23 0.09 -3.71 120.40 116.43 2k52 s VAL 54 Ca 0.39 -1.26 -0.12 0.00 -1.81 0.00 0.00 61.98 59.18 2k52 s VAL 54 Cb -0.13 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.82 2k52 s VAL 54 CO 0.13 -0.32 0.23 -1.58 -0.31 0.00 0.00 175.10 173.26 2k52 s GLN 55 N -1.80 4.12 -0.83 4.82 0.74 -0.34 -2.09 119.66 124.28 2k52 s GLN 55 Ca -0.04 -0.11 -0.25 0.00 0.05 0.00 0.00 55.36 55.01 2k52 s GLN 55 Cb -0.09 -3.52 -0.01 0.00 1.10 0.00 0.00 33.01 30.49 2k52 s GLN 55 CO 0.01 0.07 1.75 0.00 -0.55 0.00 0.00 175.29 176.57 2k52 s ALA 56 N 1.02 2.12 0.02 1.58 0.00 0.34 -1.15 121.76 125.68 2k52 s ALA 56 Ca 0.11 -1.43 -0.08 0.00 0.00 0.00 0.00 51.96 50.57 2k52 s ALA 56 Cb -0.14 -4.45 -0.04 0.00 0.00 0.00 0.00 23.12 18.49 2k52 s ALA 56 CO 0.05 -4.17 1.12 0.82 0.00 0.00 0.00 175.76 173.57 2k52 h ILE 57 N 6.93 0.00 -3.37 0.00 2.04 0.22 1.29 117.51 124.63 2k52 h ILE 57 Ca -0.01 0.00 -0.53 0.00 1.00 0.00 0.00 64.86 65.31 2k52 h ILE 57 Cb 1.05 0.00 -0.34 0.00 -0.74 0.00 0.00 36.82 36.79 2k52 h ILE 57 CO 1.26 0.00 -0.82 -1.81 0.00 0.00 0.00 178.15 176.79 2k52 s ASP 58 N -2.72 1.97 -0.40 1.72 1.01 -1.23 -1.42 116.67 115.59 2k52 s ASP 58 Ca -0.04 -0.33 -0.08 0.00 0.71 0.00 0.00 52.55 52.81 2k52 s ASP 58 Cb 0.01 -0.89 0.07 0.00 1.01 0.00 0.00 42.92 43.13 2k52 s ASP 58 CO 0.13 0.02 0.23 -0.69 0.21 0.00 0.00 175.17 175.06 2k52 s VAL 59 N 0.82 4.06 -0.50 -1.27 1.01 -1.26 -1.29 120.40 121.96 2k52 s VAL 59 Ca -0.11 -1.41 -0.08 0.00 0.00 0.00 0.00 61.98 60.38 2k52 s VAL 59 Cb -0.15 -3.48 0.13 0.00 0.00 0.00 0.00 36.38 32.88 2k52 s VAL 59 CO 0.02 -0.46 0.36 -0.13 0.00 0.00 0.00 175.10 174.88 2k52 s ARG 60 N 1.39 2.46 0.61 2.72 0.52 -0.52 -4.73 118.95 121.42 2k52 s ARG 60 Ca 0.03 -1.90 0.34 0.00 -0.52 0.00 0.00 55.73 53.68 2k52 s ARG 60 Cb -0.22 -3.87 1.99 0.00 0.52 0.00 0.00 34.95 33.37 2k52 s ARG 60 CO 0.02 -1.18 2.28 -1.00 0.02 0.00 0.00 175.30 175.44 2k52 h PRO 61 N 8.19 0.00 -0.21 3.54 0.13 -1.94 0.41 132.00 142.12 2k52 h PRO 61 Ca -0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 2k52 h PRO 61 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2k52 h PRO 61 CO 0.81 0.01 0.02 1.05 -0.23 0.00 0.00 178.00 179.66 2k52 h GLU 62 N 0.00 0.31 0.00 0.86 4.11 -1.96 -3.23 114.58 114.67 2k52 h GLU 62 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2k52 h GLU 62 Cb 0.02 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2k52 h GLU 62 CO 0.00 0.32 0.00 1.63 0.07 0.00 0.00 179.01 181.03 2k52 n LYS 63 N -4.38 3.87 -1.12 1.06 4.76 -0.55 -4.99 118.16 116.80 2k52 n LYS 63 Ca 0.00 -0.19 -0.04 0.00 -2.87 0.00 0.00 58.31 55.21 2k52 n LYS 63 Cb 0.17 -0.69 -0.02 0.00 -1.84 0.00 0.00 35.03 32.65 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 -0.61 -1.60 -3.40 1.97 1.74 0.13 -4.97 116.66 109.92 2k52 n ARG 64 Ca 0.00 0.59 -0.38 0.00 -0.77 0.00 0.00 57.85 57.30 2k52 n ARG 64 Cb 0.00 -4.87 -0.06 0.00 -1.02 0.00 0.00 32.46 26.51 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 -2.14 4.18 -0.15 5.56 2.02 -1.14 -4.90 118.70 122.12 2k52 s GLU 65 Ca 0.00 0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.40 2k52 s GLU 65 Cb 0.00 -3.35 0.03 0.00 0.10 0.00 0.00 34.13 30.91 2k52 s GLU 65 CO 0.00 0.37 -0.11 0.42 0.02 0.00 0.00 175.26 175.96 2k52 s ILE 66 N -0.05 1.42 0.04 -1.63 1.01 -1.26 -1.43 121.20 119.30 2k52 s ILE 66 Ca 0.24 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 60.00 2k52 s ILE 66 Cb -0.16 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.85 2k52 s ILE 66 CO 0.11 0.34 0.77 -1.81 0.00 0.00 0.00 174.94 174.35 2k52 s ASP 67 N 1.53 7.20 0.16 3.58 1.01 -0.41 -0.28 116.67 129.46 2k52 s ASP 67 Ca 0.03 1.44 0.09 0.00 0.71 0.00 0.00 52.55 54.82 2k52 s ASP 67 Cb -0.14 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2k52 s ASP 67 CO -0.09 0.00 -0.11 -0.36 0.21 0.00 0.00 175.17 174.82 2k52 s PHE 68 N 0.01 2.63 0.04 4.23 0.08 0.62 0.90 117.98 126.51 2k52 s PHE 68 Ca 0.39 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.26 2k52 s PHE 68 Cb -0.20 -1.31 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 2k52 s PHE 68 CO 0.23 0.49 -0.13 0.21 -0.10 0.00 0.00 175.22 175.92 2k52 s LYS 69 N -2.66 0.81 -0.44 0.44 2.20 -0.30 -3.25 119.74 116.53 2k52 s LYS 69 Ca 0.23 -0.77 -0.24 0.00 -0.36 0.00 0.00 55.97 54.84 2k52 s LYS 69 Cb -0.09 -0.78 0.02 0.00 -1.51 0.00 0.00 37.83 35.47 2k52 s LYS 69 CO 0.14 0.18 0.82 -0.47 -0.36 0.00 0.00 175.35 175.66 2k52 s TYR 70 N -0.99 2.99 -0.23 4.03 6.14 -0.52 -1.20 117.35 127.58 2k52 s TYR 70 Ca -0.01 0.27 -0.06 0.00 0.64 0.00 0.00 57.07 57.91 2k52 s TYR 70 Cb -0.08 -3.70 -0.02 0.00 0.42 0.00 0.00 41.96 38.57 2k52 s TYR 70 CO 0.01 -0.98 0.03 0.96 0.64 0.00 0.00 175.55 176.22 2k52 s ILE 71 N 3.37 4.08 0.20 3.14 -4.36 -1.24 -3.93 121.20 122.46 2k52 s ILE 71 Ca 0.32 -0.26 -0.30 0.00 -0.26 0.00 0.00 60.65 60.15 2k52 s ILE 71 Cb -0.12 -2.88 -0.09 0.00 1.25 0.00 0.00 42.46 40.62 2k52 s ILE 71 CO 0.23 0.38 1.32 -2.16 0.24 0.00 0.00 174.94 174.95 2k52 s PRO 72 N 1.38 4.38 -0.06 0.37 0.04 -1.26 -4.86 135.00 134.98 2k52 s PRO 72 Ca 0.05 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 2k52 s PRO 72 Cb -0.15 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2k52 s PRO 72 CO 0.02 -0.27 1.09 -1.17 0.04 0.00 0.00 177.00 176.70 2k52 s LEU 73 N -0.08 4.28 0.00 -3.56 0.20 -1.26 -5.22 118.68 113.04 2k52 s LEU 73 Ca 0.57 1.68 0.29 0.00 0.69 0.00 0.00 54.13 57.37 2k52 s LEU 73 Cb -0.37 -3.56 1.34 0.00 -0.43 0.00 0.00 46.19 43.17 2k52 s LEU 73 CO 0.38 -0.48 1.91 -0.62 -0.29 0.00 0.00 176.35 177.25