#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 4.64 -0.14 6.12 2.15 -1.26 -4.96 116.67 123.22 2k52 s ASP 2 Ca 0.00 -0.14 0.02 0.00 0.43 0.00 0.00 52.55 52.86 2k52 s ASP 2 Cb 0.00 -1.09 0.01 0.00 -0.30 0.00 0.00 42.92 41.54 2k52 s ASP 2 CO 0.00 0.28 -0.21 -0.69 -0.17 0.00 0.00 175.17 174.38 2k52 s VAL 3 N -1.01 2.19 0.28 1.11 1.01 -1.26 -5.13 120.40 117.60 2k52 s VAL 3 Ca 0.17 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.30 2k52 s VAL 3 Cb -0.11 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2k52 s VAL 3 CO 0.08 0.54 0.15 -1.61 0.00 0.00 0.00 175.10 174.26 2k52 s GLU 4 N 0.83 2.63 0.46 2.72 2.02 -1.26 -4.99 118.70 121.11 2k52 s GLU 4 Ca -0.06 -1.27 -0.24 0.00 0.02 0.00 0.00 54.97 53.42 2k52 s GLU 4 Cb -0.15 -2.38 -0.07 0.00 0.10 0.00 0.00 34.13 31.62 2k52 s GLU 4 CO -0.02 0.30 1.27 -1.25 0.02 0.00 0.00 175.26 175.58 2k52 s PRO 5 N -3.82 3.70 -0.12 0.39 0.04 -1.26 -3.24 135.00 130.68 2k52 s PRO 5 Ca 0.34 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2k52 s PRO 5 Cb -0.06 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2k52 s PRO 5 CO 0.23 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2k52 n GLY 6 N 0.60 0.50 3.93 0.56 0.00 0.24 -4.97 105.19 106.05 2k52 n GLY 6 Ca 0.07 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.07 3.38 -0.32 1.61 -0.14 -1.20 -4.92 119.74 117.08 2k52 s LYS 7 Ca 0.00 -0.63 -0.12 0.00 -1.36 0.00 0.00 55.97 53.86 2k52 s LYS 7 Cb 0.00 -2.93 -0.02 0.00 -1.68 0.00 0.00 37.83 33.20 2k52 s LYS 7 CO 0.00 0.52 0.21 -0.06 -0.76 0.00 0.00 175.35 175.25 2k52 s PHE 8 N -1.75 3.21 -0.03 3.18 0.40 -1.26 -0.83 117.98 120.90 2k52 s PHE 8 Ca 0.34 -0.20 -0.04 0.00 -0.60 0.00 0.00 56.93 56.43 2k52 s PHE 8 Cb -0.11 -2.42 0.01 0.00 0.51 0.00 0.00 43.02 41.01 2k52 s PHE 8 CO 0.28 -0.32 0.11 0.71 0.70 0.00 0.00 175.22 176.69 2k52 s TYR 9 N 1.71 -0.07 0.06 0.36 2.02 -0.36 -5.00 117.35 116.07 2k52 s TYR 9 Ca 0.06 0.18 -0.22 0.00 -0.37 0.00 0.00 57.07 56.72 2k52 s TYR 9 Cb -0.17 0.01 -0.06 0.00 -0.40 0.00 0.00 41.96 41.34 2k52 s TYR 9 CO 0.10 -0.10 0.65 0.21 -1.57 0.00 0.00 175.55 174.83 2k52 s LYS 10 N -0.27 4.35 0.31 -0.62 2.20 -1.26 -1.62 119.74 122.83 2k52 s LYS 10 Ca -0.03 0.86 0.05 0.00 -0.36 0.00 0.00 55.97 56.49 2k52 s LYS 10 Cb -0.03 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 2k52 s LYS 10 CO 0.00 0.49 0.19 0.41 -0.36 0.00 0.00 175.35 176.08 2k52 n GLY 11 N 2.02 3.21 3.12 5.54 0.00 -0.02 -4.65 105.19 114.42 2k52 n GLY 11 Ca -0.07 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 2k52 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k52 s VAL 12 N -3.02 1.25 -0.02 1.61 0.11 -0.86 -0.39 120.40 119.08 2k52 s VAL 12 Ca 0.27 -0.65 -0.30 0.00 -2.93 0.00 0.00 61.98 58.36 2k52 s VAL 12 Cb 0.01 -1.05 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 2k52 s VAL 12 CO 0.19 0.36 1.26 -0.69 -3.33 0.00 0.00 175.10 172.89 2k52 s VAL 13 N -0.20 4.04 -0.24 2.04 1.01 -0.07 -1.88 120.40 125.10 2k52 s VAL 13 Ca 0.02 1.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 2k52 s VAL 13 Cb -0.08 -3.90 -0.14 0.00 0.00 0.00 0.00 36.38 32.26 2k52 s VAL 13 CO 0.00 0.02 -0.24 0.35 0.00 0.00 0.00 175.10 175.23 2k52 n THR 14 N 4.51 1.36 -3.65 3.92 -2.24 -0.33 -1.34 114.28 116.50 2k52 n THR 14 Ca 0.11 -0.47 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 2k52 n THR 14 Cb 0.45 -1.46 -0.08 0.00 -2.10 0.00 0.00 70.33 67.14 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 -2.47 0.80 -0.32 -0.78 1.70 -1.25 -4.72 118.95 111.91 2k52 s ARG 15 Ca -0.33 0.27 -0.13 0.00 -0.47 0.00 0.00 55.73 55.07 2k52 s ARG 15 Cb 0.10 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.82 2k52 s ARG 15 CO 0.52 -0.20 0.25 0.42 -1.08 0.00 0.00 175.30 175.21 2k52 s ILE 16 N -0.77 5.27 0.55 4.99 -1.09 -1.26 -2.08 121.20 126.81 2k52 s ILE 16 Ca -0.08 -0.05 0.07 0.00 -2.23 0.00 0.00 60.65 58.36 2k52 s ILE 16 Cb -0.03 -3.69 0.05 0.00 -1.58 0.00 0.00 42.46 37.22 2k52 s ILE 16 CO 0.05 0.05 0.54 -1.61 -1.23 0.00 0.00 174.94 172.74 2k52 s GLU 17 N 1.79 2.28 0.00 2.79 0.41 0.51 -5.01 118.70 121.48 2k52 s GLU 17 Ca 0.08 -1.87 0.09 0.00 -0.41 0.00 0.00 54.97 52.86 2k52 s GLU 17 Cb -0.17 -2.31 0.39 0.00 -1.78 0.00 0.00 34.13 30.27 2k52 s GLU 17 CO 0.11 -0.69 1.28 1.63 -0.49 0.00 0.00 175.26 177.09 2k52 n LYS 18 N -1.93 1.32 -0.22 1.61 5.02 -1.26 -3.55 118.16 119.15 2k52 n LYS 18 Ca 0.05 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 2k52 n LYS 18 Cb 0.63 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 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 -0.16 0.00 0.00 2.13 0.18 -1.26 -5.14 117.16 112.90 2k52 n TYR 19 Ca 0.08 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.86 2k52 n TYR 19 Cb 0.14 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.10 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 0.00 0.92 3.30 -7.48 0.00 -1.23 -4.64 105.19 96.06 2k52 n GLY 20 Ca 0.00 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.10 2.34 -0.36 4.61 0.00 -0.16 -0.36 121.76 126.73 2k52 s ALA 21 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 2k52 s ALA 21 Cb 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.25 2k52 s ALA 21 CO 0.00 0.35 1.24 -0.06 0.00 0.00 0.00 175.76 177.29 2k52 s PHE 22 N 0.06 2.76 -0.14 0.00 0.08 -0.88 -0.85 117.98 119.01 2k52 s PHE 22 Ca -0.09 0.88 -0.01 0.00 0.12 0.00 0.00 56.93 57.83 2k52 s PHE 22 Cb -0.15 -4.04 -0.02 0.00 -0.57 0.00 0.00 43.02 38.25 2k52 s PHE 22 CO 0.05 -1.47 -0.12 0.42 -0.10 0.00 0.00 175.22 174.01 2k52 s ILE 23 N 4.41 3.12 -0.25 0.64 1.01 -0.08 -1.19 121.20 128.87 2k52 s ILE 23 Ca 0.53 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 2k52 s ILE 23 Cb -0.13 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 2k52 s ILE 23 CO 0.25 0.52 0.24 0.20 0.00 0.00 0.00 174.94 176.14 2k52 s ASN 24 N 0.40 6.16 0.28 3.58 0.01 -0.79 -0.62 114.94 123.96 2k52 s ASN 24 Ca -0.10 0.17 0.16 0.00 -0.71 0.00 0.00 52.86 52.38 2k52 s ASN 24 Cb -0.16 -2.15 0.07 0.00 0.41 0.00 0.00 41.25 39.43 2k52 s ASN 24 CO 0.05 -0.03 1.41 -0.07 -1.51 0.00 0.00 177.10 176.96 2k52 h LEU 25 N 7.92 0.00 -7.68 0.60 3.38 -1.62 -2.29 115.31 115.62 2k52 h LEU 25 Ca -0.36 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.66 2k52 h LEU 25 Cb 1.17 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.85 2k52 h LEU 25 CO 0.64 0.46 0.24 0.21 0.09 0.00 0.00 178.44 180.08 2k52 s ASN 26 N -6.38 -0.34 0.25 -0.43 2.47 -1.19 -4.83 114.94 104.48 2k52 s ASN 26 Ca 0.04 -0.42 -0.09 0.00 0.42 0.00 0.00 52.86 52.81 2k52 s ASN 26 Cb 0.07 0.67 0.39 0.00 -1.45 0.00 0.00 41.25 40.94 2k52 s ASN 26 CO 0.74 -1.20 1.61 -0.08 -3.72 0.00 0.00 177.10 174.45 2k52 h GLU 27 N 2.00 0.03 -0.12 0.43 4.81 -1.96 -0.22 114.58 119.55 2k52 h GLU 27 Ca -0.24 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2k52 h GLU 27 Cb 1.27 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2k52 h GLU 27 CO 0.27 0.02 0.00 1.04 -0.73 0.00 0.00 179.01 179.62 2k52 n GLN 28 N -5.45 2.23 -3.71 1.92 1.13 -1.26 -4.85 117.38 107.38 2k52 n GLN 28 Ca 0.13 -1.81 -0.38 0.00 -1.94 0.00 0.00 57.00 53.00 2k52 n GLN 28 Cb 0.45 -1.47 -0.11 0.00 0.11 0.00 0.00 30.24 29.21 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 -1.87 3.74 -0.08 5.09 1.01 -0.09 -5.08 120.40 123.12 2k52 s VAL 29 Ca 0.32 -1.53 -0.00 0.00 0.00 0.00 0.00 61.98 60.77 2k52 s VAL 29 Cb 0.21 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2k52 s VAL 29 CO 0.31 -0.45 -0.04 -0.60 0.00 0.00 0.00 175.10 174.32 2k52 s ARG 30 N 1.32 2.85 0.31 2.72 3.52 -1.26 -1.82 118.95 126.58 2k52 s ARG 30 Ca 0.02 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 2k52 s ARG 30 Cb -0.22 -2.67 -0.02 0.00 -1.56 0.00 0.00 34.95 30.48 2k52 s ARG 30 CO 0.00 0.68 0.33 0.20 -0.81 0.00 0.00 175.30 175.70 2k52 s GLY 31 N -0.83 1.80 -0.09 8.12 0.00 0.21 -4.21 107.32 112.32 2k52 s GLY 31 Ca 0.13 -1.76 0.02 0.00 0.00 0.00 0.00 44.72 43.10 2k52 s GLY 31 CO 0.02 -1.25 -0.13 -2.27 0.00 0.00 0.00 173.10 169.46 2k52 s LEU 32 N -3.27 1.61 -0.33 0.66 2.96 0.04 -0.90 118.68 119.45 2k52 s LEU 32 Ca 0.36 -0.35 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 2k52 s LEU 32 Cb 0.02 -0.94 0.00 0.00 0.50 0.00 0.00 46.19 45.77 2k52 s LEU 32 CO 0.22 0.01 0.17 -0.22 -1.32 0.00 0.00 176.35 175.21 2k52 s LEU 33 N 0.94 4.33 0.09 -0.68 2.96 -0.03 -1.80 118.68 124.48 2k52 s LEU 33 Ca -0.09 -0.67 -0.07 0.00 -0.22 0.00 0.00 54.13 53.08 2k52 s LEU 33 Cb -0.15 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2k52 s LEU 33 CO 0.00 -0.26 0.36 -0.13 -1.32 0.00 0.00 176.35 175.01 2k52 s ARG 34 N 1.60 3.67 0.44 1.98 0.52 -1.26 -0.99 118.95 124.91 2k52 s ARG 34 Ca 0.04 0.03 0.19 0.00 -0.52 0.00 0.00 55.73 55.47 2k52 s ARG 34 Cb -0.18 -2.96 1.13 0.00 0.52 0.00 0.00 34.95 33.46 2k52 s ARG 34 CO 0.07 0.55 1.90 -1.35 0.02 0.00 0.00 175.30 176.48 2k52 h PRO 35 N 3.46 0.33 0.00 3.54 0.11 -1.97 -1.01 132.00 136.46 2k52 h PRO 35 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2k52 h PRO 35 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2k52 h PRO 35 CO 0.69 0.22 0.00 0.54 -0.21 0.00 0.00 178.00 179.23 2k52 n ARG 36 N -4.46 0.12 -0.14 1.05 1.74 -1.26 -2.57 116.66 111.13 2k52 n ARG 36 Ca 0.16 0.15 0.11 0.00 -0.77 0.00 0.00 57.85 57.50 2k52 n ARG 36 Cb 0.64 -1.66 0.28 0.00 -1.02 0.00 0.00 32.46 30.71 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 -1.87 2.61 -4.89 0.55 8.00 -0.38 -4.95 116.55 115.62 2k52 n ASP 37 Ca 0.06 -1.88 -0.31 0.00 0.71 0.00 0.00 54.79 53.37 2k52 n ASP 37 Cb 0.35 -0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.62 3.69 -0.03 -1.24 -1.94 -1.06 -0.63 119.30 116.47 2k52 s MET 38 Ca 0.35 0.07 -0.03 0.00 -1.71 0.00 0.00 55.69 54.37 2k52 s MET 38 Cb 0.20 -2.72 -0.01 0.00 2.01 0.00 0.00 34.83 34.31 2k52 s MET 38 CO 0.28 0.34 -0.06 -0.89 -0.01 0.00 0.00 175.02 174.68 2k52 n ILE 39 N -0.29 0.33 0.21 2.53 2.08 -1.26 -4.89 119.36 118.07 2k52 n ILE 39 Ca -0.01 0.34 0.02 0.00 0.56 0.00 0.00 62.75 63.67 2k52 n ILE 39 Cb 0.53 -1.57 0.01 0.00 -0.75 0.00 0.00 39.64 37.86 2k52 n ILE 39 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2k52 n SER 40 N -2.90 1.22 -4.37 4.38 7.64 -1.26 -5.01 113.62 113.32 2k52 n SER 40 Ca -0.02 -1.11 -0.33 0.00 1.01 0.00 0.00 58.87 58.42 2k52 n SER 40 Cb 0.09 0.17 -0.14 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.73 2.63 0.03 -3.43 1.43 -1.26 -5.12 118.68 112.23 2k52 s LEU 41 Ca 0.05 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2k52 s LEU 41 Cb 0.04 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2k52 s LEU 41 CO 0.08 0.20 0.15 -0.13 0.23 0.00 0.00 176.35 176.88 2k52 s ARG 42 N 0.16 3.27 0.55 1.70 1.81 -1.26 -4.84 118.95 120.33 2k52 s ARG 42 Ca -0.08 -0.46 0.25 0.00 -1.72 0.00 0.00 55.73 53.72 2k52 s ARG 42 Cb -0.15 -2.96 1.47 0.00 -0.45 0.00 0.00 34.95 32.85 2k52 s ARG 42 CO 0.05 0.63 2.06 -0.07 -0.68 0.00 0.00 175.30 177.29 2k52 h LEU 43 N 3.52 0.00 -0.27 2.53 3.38 -1.97 -0.39 115.31 122.11 2k52 h LEU 43 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k52 h LEU 43 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k52 h LEU 43 CO 0.70 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.61 2k52 n GLU 44 N -4.18 0.05 -0.00 1.13 1.02 -1.26 -2.37 120.64 115.03 2k52 n GLU 44 Ca 0.04 0.37 0.04 0.00 -0.02 0.00 0.00 57.16 57.60 2k52 n GLU 44 Cb 0.41 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 2k52 n GLU 44 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2k52 n ASN 45 N -1.73 2.90 -4.75 1.62 3.02 -0.18 -5.02 115.26 111.13 2k52 n ASN 45 Ca 0.02 -0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 2k52 n ASN 45 Cb 0.14 1.37 -0.04 0.00 -0.61 0.00 0.00 39.78 40.64 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 -3.53 4.53 0.23 3.41 1.43 -1.00 -5.04 118.68 118.71 2k52 s LEU 46 Ca -0.03 2.14 0.10 0.00 -1.03 0.00 0.00 54.13 55.31 2k52 s LEU 46 Cb 0.06 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 2k52 s LEU 46 CO 0.36 -0.15 -0.17 0.20 0.23 0.00 0.00 176.35 176.82 2k52 s ASN 47 N -0.52 3.03 -0.18 2.29 0.01 -1.26 -4.97 114.94 113.34 2k52 s ASN 47 Ca 0.47 -1.00 -0.29 0.00 -0.71 0.00 0.00 52.86 51.33 2k52 s ASN 47 Cb -0.30 -0.21 -0.05 0.00 0.41 0.00 0.00 41.25 41.10 2k52 s ASN 47 CO 0.37 -0.06 2.01 -0.69 -1.51 0.00 0.00 177.10 177.22 2k52 s VAL 48 N -2.63 3.18 0.00 1.60 1.01 -1.26 -1.87 120.40 120.44 2k52 s VAL 48 Ca 0.25 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2k52 s VAL 48 Cb -0.03 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2k52 s VAL 48 CO 0.10 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2k52 n GLY 49 N 5.27 1.16 3.67 4.51 0.00 -0.45 -5.02 105.19 114.33 2k52 n GLY 49 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.77 7.00 -0.24 1.61 1.01 -0.78 -4.83 116.67 118.67 2k52 s ASP 50 Ca 0.00 1.73 -0.17 0.00 0.71 0.00 0.00 52.55 54.82 2k52 s ASP 50 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 2k52 s ASP 50 CO 0.00 -0.68 0.46 -1.61 0.21 0.00 0.00 175.17 173.56 2k52 s GLU 51 N 2.91 4.10 -0.04 8.23 2.02 -1.26 -0.89 118.70 133.77 2k52 s GLU 51 Ca 0.55 0.25 0.07 0.00 0.02 0.00 0.00 54.97 55.86 2k52 s GLU 51 Cb -0.23 -3.61 -0.01 0.00 0.10 0.00 0.00 34.13 30.38 2k52 s GLU 51 CO 0.17 -0.24 -0.24 0.42 0.02 0.00 0.00 175.26 175.39 2k52 s ILE 52 N 1.93 1.97 -0.45 -1.63 1.01 0.47 -4.94 121.20 119.56 2k52 s ILE 52 Ca 0.20 -1.04 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 2k52 s ILE 52 Cb -0.15 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.69 2k52 s ILE 52 CO 0.09 0.55 0.98 -0.63 0.00 0.00 0.00 174.94 175.93 2k52 s ILE 53 N -0.36 4.42 0.24 2.92 1.01 -1.26 -0.84 121.20 127.33 2k52 s ILE 53 Ca 0.03 0.93 0.08 0.00 0.00 0.00 0.00 60.65 61.69 2k52 s ILE 53 Cb -0.11 -4.46 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 2k52 s ILE 53 CO 0.01 -0.83 -0.13 0.68 0.00 0.00 0.00 174.94 174.67 2k52 s VAL 54 N 3.89 1.85 -0.25 2.92 -7.23 -0.64 -3.75 120.40 117.18 2k52 s VAL 54 Ca 0.40 -2.22 -0.08 0.00 -1.81 0.00 0.00 61.98 58.26 2k52 s VAL 54 Cb -0.10 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2k52 s VAL 54 CO 0.26 -0.48 0.09 -1.58 -0.31 0.00 0.00 175.10 173.09 2k52 s GLN 55 N -3.64 3.76 -0.83 4.82 0.74 -0.29 -1.22 119.66 123.00 2k52 s GLN 55 Ca 0.26 -0.43 -0.25 0.00 0.05 0.00 0.00 55.36 54.99 2k52 s GLN 55 Cb -0.00 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.73 2k52 s GLN 55 CO 0.10 -0.12 1.66 0.00 -0.55 0.00 0.00 175.29 176.37 2k52 s ALA 56 N 1.48 2.28 0.01 1.58 0.00 -0.01 -1.78 121.76 125.31 2k52 s ALA 56 Ca 0.06 -1.47 -0.06 0.00 0.00 0.00 0.00 51.96 50.49 2k52 s ALA 56 Cb -0.15 -4.43 -0.03 0.00 0.00 0.00 0.00 23.12 18.51 2k52 s ALA 56 CO 0.05 -3.98 1.09 0.82 0.00 0.00 0.00 175.76 173.74 2k52 h ILE 57 N 6.80 0.00 -3.99 0.00 2.04 -0.49 0.69 117.51 122.55 2k52 h ILE 57 Ca -0.04 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 65.45 2k52 h ILE 57 Cb 1.05 0.00 -0.24 0.00 -0.74 0.00 0.00 36.82 36.89 2k52 h ILE 57 CO 1.28 0.00 -0.77 -1.81 0.00 0.00 0.00 178.15 176.85 2k52 s ASP 58 N -2.45 1.28 -0.38 1.72 1.01 -1.26 -1.53 116.67 115.05 2k52 s ASP 58 Ca -0.03 -0.43 -0.09 0.00 0.71 0.00 0.00 52.55 52.71 2k52 s ASP 58 Cb 0.01 -0.06 0.05 0.00 1.01 0.00 0.00 42.92 43.93 2k52 s ASP 58 CO 0.10 -0.03 0.20 -0.69 0.21 0.00 0.00 175.17 174.96 2k52 s VAL 59 N -0.90 4.23 -0.60 -1.27 1.01 -1.26 -1.01 120.40 120.60 2k52 s VAL 59 Ca -0.02 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.62 2k52 s VAL 59 Cb -0.08 -3.46 0.09 0.00 0.00 0.00 0.00 36.38 32.93 2k52 s VAL 59 CO 0.01 -0.33 0.75 -0.13 0.00 0.00 0.00 175.10 175.40 2k52 s ARG 60 N 1.46 3.06 0.03 2.72 0.52 0.01 -4.97 118.95 121.79 2k52 s ARG 60 Ca 0.01 -1.20 -0.24 0.00 -0.52 0.00 0.00 55.73 53.78 2k52 s ARG 60 Cb -0.21 -4.25 -0.13 0.00 0.52 0.00 0.00 34.95 30.88 2k52 s ARG 60 CO 0.04 -1.58 1.27 -1.35 0.02 0.00 0.00 175.30 173.70 2k52 h PRO 61 N 9.25 -0.83 -0.34 3.54 0.11 -1.97 0.32 132.00 142.08 2k52 h PRO 61 Ca -0.29 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2k52 h PRO 61 Cb 1.08 0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 2k52 h PRO 61 CO 1.11 -0.55 0.22 1.05 -0.21 0.00 0.00 178.00 179.62 2k52 h GLU 62 N -0.92 0.46 0.00 1.05 4.11 -1.98 -1.94 114.58 115.36 2k52 h GLU 62 Ca -0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2k52 h GLU 62 Cb 0.66 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k52 h GLU 62 CO 0.14 0.31 -0.11 0.87 0.07 0.00 0.00 179.01 180.29 2k52 h LYS 63 N 0.47 0.00 -2.49 1.06 1.79 -1.97 -3.47 116.57 111.97 2k52 h LYS 63 Ca 0.13 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.22 2k52 h LYS 63 Cb -0.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 2k52 h LYS 63 CO -0.03 0.00 -0.47 0.54 -1.08 0.00 0.00 179.45 178.42 2k52 n ARG 64 N -2.54 -1.48 -4.53 3.15 1.74 0.07 -4.99 116.66 108.09 2k52 n ARG 64 Ca 0.05 0.93 -0.28 0.00 -0.77 0.00 0.00 57.85 57.78 2k52 n ARG 64 Cb 0.47 -5.45 -0.17 0.00 -1.02 0.00 0.00 32.46 26.29 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 -4.79 2.16 -0.20 5.56 2.02 -1.02 -4.98 118.70 117.45 2k52 s GLU 65 Ca 0.00 -0.55 -0.05 0.00 0.02 0.00 0.00 54.97 54.39 2k52 s GLU 65 Cb 0.00 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 2k52 s GLU 65 CO 0.00 -0.03 0.01 0.42 0.02 0.00 0.00 175.26 175.68 2k52 s ILE 66 N 0.89 4.03 -0.14 -1.63 1.01 -1.26 -0.81 121.20 123.29 2k52 s ILE 66 Ca -0.09 -0.29 -0.24 0.00 0.00 0.00 0.00 60.65 60.03 2k52 s ILE 66 Cb -0.15 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 2k52 s ILE 66 CO 0.00 0.42 0.78 -1.81 0.00 0.00 0.00 174.94 174.34 2k52 s ASP 67 N 0.99 6.94 0.09 3.58 1.01 -0.18 -0.78 116.67 128.32 2k52 s ASP 67 Ca 0.02 1.15 0.06 0.00 0.71 0.00 0.00 52.55 54.49 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 0.02 -0.32 -0.06 -0.36 0.21 0.00 0.00 175.17 174.66 2k52 s PHE 68 N 1.79 2.85 0.05 4.23 0.08 -0.74 0.25 117.98 126.49 2k52 s PHE 68 Ca 0.37 -0.10 0.03 0.00 0.12 0.00 0.00 56.93 57.36 2k52 s PHE 68 Cb -0.17 -1.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.77 2k52 s PHE 68 CO 0.14 0.45 -0.10 0.21 -0.10 0.00 0.00 175.22 175.82 2k52 s LYS 69 N -2.22 0.63 -0.28 0.44 2.20 -0.73 -4.25 119.74 115.53 2k52 s LYS 69 Ca 0.23 -0.79 -0.23 0.00 -0.36 0.00 0.00 55.97 54.82 2k52 s LYS 69 Cb -0.11 -0.48 -0.01 0.00 -1.51 0.00 0.00 37.83 35.72 2k52 s LYS 69 CO 0.15 0.10 0.77 -0.47 -0.36 0.00 0.00 175.35 175.54 2k52 s TYR 70 N -1.28 3.25 -0.16 4.03 6.14 0.20 -1.13 117.35 128.40 2k52 s TYR 70 Ca -0.07 0.91 -0.04 0.00 0.64 0.00 0.00 57.07 58.52 2k52 s TYR 70 Cb -0.10 -3.09 -0.03 0.00 0.42 0.00 0.00 41.96 39.17 2k52 s TYR 70 CO 0.01 -0.46 -0.03 0.96 0.64 0.00 0.00 175.55 176.67 2k52 s ILE 71 N 2.83 3.91 -0.93 3.14 -4.36 -1.25 -4.55 121.20 119.99 2k52 s ILE 71 Ca 0.32 -0.35 -0.24 0.00 -0.26 0.00 0.00 60.65 60.12 2k52 s ILE 71 Cb -0.15 -2.72 0.01 0.00 1.25 0.00 0.00 42.46 40.85 2k52 s ILE 71 CO 0.10 0.48 1.62 -2.16 0.24 0.00 0.00 174.94 175.22 2k52 s PRO 72 N 0.50 3.14 -0.93 0.37 0.04 -1.26 -4.91 135.00 131.96 2k52 s PRO 72 Ca -0.03 -0.64 -0.24 0.00 0.04 0.00 0.00 61.00 60.12 2k52 s PRO 72 Cb -0.14 -5.08 -0.06 0.00 0.04 0.00 0.00 34.50 29.26 2k52 s PRO 72 CO 0.03 -2.62 1.98 -1.17 0.04 0.00 0.00 177.00 175.26 2k52 s LEU 73 N 7.01 3.12 0.00 -3.56 0.20 -1.26 -5.26 118.68 118.93 2k52 s LEU 73 Ca 0.54 -0.73 0.00 0.00 0.69 0.00 0.00 54.13 54.63 2k52 s LEU 73 Cb -0.04 -2.56 0.00 0.00 -0.43 0.00 0.00 46.19 43.16 2k52 s LEU 73 CO -0.02 -2.89 0.07 -1.84 -0.29 0.00 0.00 176.35 171.37