#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 4.84 -0.10 6.12 2.15 -1.26 -4.80 116.67 123.62 2k52 s ASP 2 Ca 0.00 -0.73 -0.02 0.00 0.43 0.00 0.00 52.55 52.23 2k52 s ASP 2 Cb 0.00 -0.75 -0.03 0.00 -0.30 0.00 0.00 42.92 41.83 2k52 s ASP 2 CO 0.00 -0.36 -0.02 -0.69 -0.17 0.00 0.00 175.17 173.93 2k52 s VAL 3 N -2.41 4.15 0.02 1.11 1.01 -1.26 -5.12 120.40 117.91 2k52 s VAL 3 Ca 0.40 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2k52 s VAL 3 Cb -0.03 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2k52 s VAL 3 CO 0.24 0.58 -0.05 -1.61 0.00 0.00 0.00 175.10 174.26 2k52 s GLU 4 N -0.62 2.55 0.14 2.72 2.02 -1.26 -4.84 118.70 119.40 2k52 s GLU 4 Ca 0.10 -0.75 -0.32 0.00 0.02 0.00 0.00 54.97 54.02 2k52 s GLU 4 Cb -0.12 -2.52 -0.12 0.00 0.10 0.00 0.00 34.13 31.48 2k52 s GLU 4 CO 0.02 0.59 1.74 -2.30 0.02 0.00 0.00 175.26 175.33 2k52 n PRO 5 N 1.30 2.57 -0.09 0.39 -0.02 -1.26 -2.49 135.00 135.40 2k52 n PRO 5 Ca -0.14 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2k52 n PRO 5 Cb 0.52 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 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 3.96 0.52 3.85 -1.23 0.00 0.15 -5.02 105.19 107.43 2k52 n GLY 6 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.87 3.97 -0.18 1.61 -0.14 -1.04 -4.78 119.74 118.32 2k52 s LYS 7 Ca 0.00 0.58 -0.21 0.00 -1.36 0.00 0.00 55.97 54.98 2k52 s LYS 7 Cb 0.00 -2.56 -0.03 0.00 -1.68 0.00 0.00 37.83 33.56 2k52 s LYS 7 CO 0.00 0.24 0.62 -0.06 -0.76 0.00 0.00 175.35 175.39 2k52 s PHE 8 N -1.87 3.40 0.12 3.18 0.40 -1.26 -1.27 117.98 120.68 2k52 s PHE 8 Ca 0.50 0.94 -0.04 0.00 -0.60 0.00 0.00 56.93 57.74 2k52 s PHE 8 Cb -0.11 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.61 2k52 s PHE 8 CO 0.19 -0.13 0.11 0.71 0.70 0.00 0.00 175.22 176.80 2k52 s TYR 9 N 1.74 0.59 0.01 0.36 2.02 -0.65 -5.01 117.35 116.40 2k52 s TYR 9 Ca 0.29 -1.01 0.07 0.00 -0.37 0.00 0.00 57.07 56.05 2k52 s TYR 9 Cb -0.16 -0.31 -0.03 0.00 -0.40 0.00 0.00 41.96 41.07 2k52 s TYR 9 CO 0.11 -0.54 -0.20 0.21 -1.57 0.00 0.00 175.55 173.55 2k52 s LYS 10 N -3.98 2.14 0.35 -0.62 2.20 -1.26 -0.62 119.74 117.94 2k52 s LYS 10 Ca 0.17 -0.93 -0.06 0.00 -0.36 0.00 0.00 55.97 54.79 2k52 s LYS 10 Cb 0.06 -2.17 0.03 0.00 -1.51 0.00 0.00 37.83 34.24 2k52 s LYS 10 CO -0.03 0.56 0.58 0.41 -0.36 0.00 0.00 175.35 176.51 2k52 n GLY 11 N 1.94 1.71 3.36 5.54 0.00 -0.56 -4.60 105.19 112.58 2k52 n GLY 11 Ca -0.16 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.55 2.35 -0.03 1.61 0.11 -0.74 -0.21 120.40 120.94 2k52 s VAL 12 Ca 0.23 -1.06 -0.30 0.00 -2.93 0.00 0.00 61.98 57.92 2k52 s VAL 12 Cb -0.02 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 32.92 2k52 s VAL 12 CO 0.17 0.54 1.25 -0.69 -3.33 0.00 0.00 175.10 173.04 2k52 s VAL 13 N -0.69 4.09 -0.18 2.04 1.01 -0.23 -1.04 120.40 125.39 2k52 s VAL 13 Ca 0.11 1.44 -0.19 0.00 0.00 0.00 0.00 61.98 63.34 2k52 s VAL 13 Cb -0.10 -3.93 -0.21 0.00 0.00 0.00 0.00 36.38 32.14 2k52 s VAL 13 CO 0.00 0.01 0.30 0.71 0.00 0.00 0.00 175.10 176.12 2k52 h THR 14 N 4.92 0.93 -2.43 3.92 1.35 -1.17 -0.57 112.91 119.86 2k52 h THR 14 Ca -0.36 -2.23 -0.08 0.00 -0.55 0.00 0.00 66.41 63.19 2k52 h THR 14 Cb 1.17 2.37 -0.19 0.00 -1.73 0.00 0.00 68.15 69.78 2k52 h THR 14 CO 0.88 0.45 0.03 0.00 -0.25 0.00 0.00 175.52 176.62 2k52 s ARG 15 N -2.39 0.94 -0.40 4.72 1.70 -1.25 -4.75 118.95 117.52 2k52 s ARG 15 Ca -0.27 0.04 -0.18 0.00 -0.47 0.00 0.00 55.73 54.86 2k52 s ARG 15 Cb 0.05 0.44 0.01 0.00 -0.57 0.00 0.00 34.95 34.88 2k52 s ARG 15 CO 0.64 -0.30 0.47 0.42 -1.08 0.00 0.00 175.30 175.45 2k52 s ILE 16 N -1.45 5.05 0.26 4.99 -1.09 -1.26 -2.49 121.20 125.21 2k52 s ILE 16 Ca -0.11 -0.14 -0.00 0.00 -2.23 0.00 0.00 60.65 58.17 2k52 s ILE 16 Cb -0.02 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2k52 s ILE 16 CO 0.06 -0.38 0.46 -1.61 -1.23 0.00 0.00 174.94 172.24 2k52 s GLU 17 N 2.26 3.52 0.00 2.79 0.41 0.87 -4.98 118.70 123.57 2k52 s GLU 17 Ca 0.14 -0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.37 2k52 s GLU 17 Cb -0.16 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 2k52 s GLU 17 CO 0.14 0.30 0.79 1.63 -0.49 0.00 0.00 175.26 177.63 2k52 n LYS 18 N -1.10 0.81 0.00 1.61 5.02 -1.26 -2.20 118.16 121.04 2k52 n LYS 18 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2k52 n LYS 18 Cb 0.55 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.46 0.00 0.00 2.13 4.11 -1.26 -5.13 117.16 116.55 2k52 n TYR 19 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 2k52 n TYR 19 Cb 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 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 -0.09 0.45 3.16 -7.48 0.00 -0.93 -4.56 105.19 95.74 2k52 n GLY 20 Ca 0.00 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.59 2.15 -0.24 4.61 0.00 -0.38 -0.09 121.76 126.22 2k52 s ALA 21 Ca 0.00 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.65 2k52 s ALA 21 Cb 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.19 2k52 s ALA 21 CO 0.00 0.01 1.11 -0.06 0.00 0.00 0.00 175.76 176.82 2k52 s PHE 22 N 0.77 3.15 -0.09 0.00 0.08 -1.04 -0.25 117.98 120.60 2k52 s PHE 22 Ca -0.09 1.28 0.03 0.00 0.12 0.00 0.00 56.93 58.27 2k52 s PHE 22 Cb -0.16 -3.44 -0.01 0.00 -0.57 0.00 0.00 43.02 38.84 2k52 s PHE 22 CO -0.00 -0.88 -0.20 0.42 -0.10 0.00 0.00 175.22 174.45 2k52 s ILE 23 N 3.43 2.42 -0.28 0.64 1.01 -0.34 -0.53 121.20 127.55 2k52 s ILE 23 Ca 0.47 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 60.04 2k52 s ILE 23 Cb -0.16 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 2k52 s ILE 23 CO 0.11 0.56 0.49 0.20 0.00 0.00 0.00 174.94 176.29 2k52 s ASN 24 N 0.12 6.38 0.17 3.58 0.01 -0.21 -0.57 114.94 124.42 2k52 s ASN 24 Ca -0.10 0.40 0.23 0.00 -0.71 0.00 0.00 52.86 52.68 2k52 s ASN 24 Cb -0.16 -2.27 0.18 0.00 0.41 0.00 0.00 41.25 39.41 2k52 s ASN 24 CO 0.06 -0.30 1.19 -0.07 -1.51 0.00 0.00 177.10 176.47 2k52 h LEU 25 N 8.81 0.00 -7.36 0.60 3.38 -1.72 -1.96 115.31 117.05 2k52 h LEU 25 Ca -0.29 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 2k52 h LEU 25 Cb 1.14 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 2k52 h LEU 25 CO 0.71 0.06 0.11 0.21 0.09 0.00 0.00 178.44 179.62 2k52 s ASN 26 N -4.79 -0.39 0.40 -0.43 2.47 -1.20 -4.87 114.94 106.14 2k52 s ASN 26 Ca 0.03 -0.26 0.13 0.00 0.42 0.00 0.00 52.86 53.19 2k52 s ASN 26 Cb 0.11 0.58 0.97 0.00 -1.45 0.00 0.00 41.25 41.47 2k52 s ASN 26 CO 0.75 -1.01 1.89 -0.08 -3.72 0.00 0.00 177.10 174.94 2k52 h GLU 27 N 2.13 0.50 -0.29 0.43 4.81 -1.94 -1.45 114.58 118.77 2k52 h GLU 27 Ca -0.31 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2k52 h GLU 27 Cb 1.28 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2k52 h GLU 27 CO 0.38 0.33 0.00 1.04 -0.73 0.00 0.00 179.01 180.03 2k52 n GLN 28 N -4.51 3.07 -4.11 1.92 1.13 -1.26 -4.96 117.38 108.66 2k52 n GLN 28 Ca 0.16 -2.80 -0.23 0.00 -1.94 0.00 0.00 57.00 52.19 2k52 n GLN 28 Cb 0.53 -1.83 -0.17 0.00 0.11 0.00 0.00 30.24 28.89 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 -2.66 0.72 -0.02 5.09 1.01 -0.55 -5.08 120.40 118.92 2k52 s VAL 29 Ca 0.42 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2k52 s VAL 29 Cb 0.33 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.97 2k52 s VAL 29 CO 0.10 0.29 -0.04 -0.60 0.00 0.00 0.00 175.10 174.85 2k52 s ARG 30 N 1.25 0.53 0.00 2.72 3.00 -1.26 -2.39 118.95 122.80 2k52 s ARG 30 Ca -0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 55.73 54.58 2k52 s ARG 30 Cb -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 34.95 34.24 2k52 s ARG 30 CO -0.02 -0.01 0.00 0.41 0.00 0.00 0.00 175.30 175.68 2k52 n GLY 31 N 3.60 4.23 2.81 8.12 0.00 0.26 -4.70 105.19 119.50 2k52 n GLY 31 Ca -0.21 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 43.75 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 0.82 -0.22 0.99 2.96 0.19 -1.20 118.68 122.22 2k52 s LEU 32 Ca 0.00 -0.12 -0.16 0.00 -0.22 0.00 0.00 54.13 53.63 2k52 s LEU 32 Cb 0.00 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 2k52 s LEU 32 CO 0.00 -0.16 0.42 -0.22 -1.32 0.00 0.00 176.35 175.08 2k52 s LEU 33 N 1.71 4.12 0.29 -0.68 2.96 0.65 0.34 118.68 128.07 2k52 s LEU 33 Ca 0.01 0.50 -0.19 0.00 -0.22 0.00 0.00 54.13 54.23 2k52 s LEU 33 Cb -0.13 -2.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.93 2k52 s LEU 33 CO -0.04 -0.14 0.78 -0.13 -1.32 0.00 0.00 176.35 175.50 2k52 s ARG 34 N 1.62 4.22 0.17 1.98 0.52 -1.19 -1.25 118.95 125.01 2k52 s ARG 34 Ca 0.19 0.90 -0.12 0.00 -0.52 0.00 0.00 55.73 56.18 2k52 s ARG 34 Cb -0.15 -2.65 0.07 0.00 0.52 0.00 0.00 34.95 32.74 2k52 s ARG 34 CO 0.09 0.26 1.71 -1.35 0.02 0.00 0.00 175.30 176.02 2k52 h PRO 35 N 2.85 0.90 0.00 3.54 0.11 -1.94 -3.05 132.00 134.41 2k52 h PRO 35 Ca -0.48 -0.18 -0.01 0.00 0.11 0.00 0.00 66.00 65.44 2k52 h PRO 35 Cb 1.19 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2k52 h PRO 35 CO 0.65 0.80 -0.04 0.00 -0.21 0.00 0.00 178.00 179.19 2k52 h ARG 36 N 0.82 0.00 -0.65 1.05 3.08 -1.96 -2.39 114.38 114.33 2k52 h ARG 36 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2k52 h ARG 36 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2k52 h ARG 36 CO -0.01 0.04 0.00 -0.25 -1.07 0.00 0.00 179.97 178.68 2k52 n ASP 37 N -3.16 3.61 -4.49 7.04 8.00 -1.15 -4.83 116.55 121.56 2k52 n ASP 37 Ca 0.00 -2.07 -0.43 0.00 0.71 0.00 0.00 54.79 53.00 2k52 n ASP 37 Cb 0.30 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.25 3.24 -0.00 -1.24 -1.94 -0.90 -1.06 119.30 116.15 2k52 s MET 38 Ca 0.44 -0.52 -0.05 0.00 -1.71 0.00 0.00 55.69 53.84 2k52 s MET 38 Cb 0.24 -4.09 -0.03 0.00 2.01 0.00 0.00 34.83 32.96 2k52 s MET 38 CO 0.28 -1.47 0.64 0.82 -0.01 0.00 0.00 175.02 175.28 2k52 h ILE 39 N 5.97 0.00 0.03 2.53 1.08 -1.88 -3.42 117.51 121.82 2k52 h ILE 39 Ca -0.27 -0.10 -0.35 0.00 -0.39 0.00 0.00 64.86 63.75 2k52 h ILE 39 Cb 1.08 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.78 2k52 h ILE 39 CO 1.07 0.00 -1.97 -1.54 -0.69 0.00 0.00 178.15 175.02 2k52 n SER 40 N -2.76 1.97 -4.85 1.72 3.41 -1.26 -4.98 113.62 106.87 2k52 n SER 40 Ca -0.02 0.26 -0.32 0.00 -0.26 0.00 0.00 58.87 58.53 2k52 n SER 40 Cb 0.07 -0.81 -0.04 0.00 -0.26 0.00 0.00 64.21 63.17 2k52 n SER 40 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2k52 s LEU 41 N -7.37 3.73 0.07 1.04 1.43 -1.26 -5.10 118.68 111.22 2k52 s LEU 41 Ca -0.31 1.42 0.07 0.00 -1.03 0.00 0.00 54.13 54.27 2k52 s LEU 41 Cb 0.09 -4.33 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 2k52 s LEU 41 CO 0.61 -0.50 -0.13 -0.13 0.23 0.00 0.00 176.35 176.42 2k52 s ARG 42 N -3.91 2.12 0.49 1.70 1.81 -1.26 -4.72 118.95 115.19 2k52 s ARG 42 Ca 0.56 -0.98 0.21 0.00 -1.72 0.00 0.00 55.73 53.80 2k52 s ARG 42 Cb -0.10 -2.27 1.27 0.00 -0.45 0.00 0.00 34.95 33.40 2k52 s ARG 42 CO 0.30 0.53 1.98 -0.07 -0.68 0.00 0.00 175.30 177.36 2k52 h LEU 43 N 4.10 0.13 -2.82 2.53 3.38 -1.95 0.37 115.31 121.05 2k52 h LEU 43 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k52 h LEU 43 Cb 1.16 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2k52 h LEU 43 CO 0.50 0.07 0.02 -0.33 0.09 0.00 0.00 178.44 178.79 2k52 h GLU 44 N 0.14 0.00 -0.09 1.13 5.08 -2.00 -2.13 114.58 116.72 2k52 h GLU 44 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2k52 h GLU 44 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2k52 h GLU 44 CO -0.04 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.06 2k52 n ASN 45 N -3.27 2.07 -4.78 1.42 3.02 0.10 -5.00 115.26 108.81 2k52 n ASN 45 Ca -0.03 -1.57 -0.38 0.00 -0.03 0.00 0.00 54.58 52.57 2k52 n ASN 45 Cb 0.09 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.84 4.40 0.11 3.41 1.43 -0.80 -4.96 118.68 121.43 2k52 s LEU 46 Ca 0.13 0.94 0.10 0.00 -1.03 0.00 0.00 54.13 54.27 2k52 s LEU 46 Cb 0.08 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2k52 s LEU 46 CO 0.12 0.18 -0.24 0.20 0.23 0.00 0.00 176.35 176.85 2k52 s ASN 47 N -0.37 3.49 -0.17 2.29 0.01 -1.26 -4.96 114.94 113.97 2k52 s ASN 47 Ca 0.25 -0.65 -0.30 0.00 -0.71 0.00 0.00 52.86 51.45 2k52 s ASN 47 Cb -0.16 -0.35 -0.07 0.00 0.41 0.00 0.00 41.25 41.08 2k52 s ASN 47 CO 0.13 0.20 2.14 0.52 -1.51 0.00 0.00 177.10 178.57 2k52 n VAL 48 N 1.04 0.43 0.00 1.60 0.31 -1.26 -1.70 118.33 118.76 2k52 n VAL 48 Ca -0.17 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 2k52 n VAL 48 Cb 0.53 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 2k52 n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k52 n GLY 49 N 5.51 1.25 3.71 2.92 0.00 -0.22 -5.02 105.19 113.33 2k52 n GLY 49 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.99 6.99 -0.17 1.61 1.01 -0.69 -4.66 116.67 118.77 2k52 s ASP 50 Ca 0.00 2.10 -0.25 0.00 0.71 0.00 0.00 52.55 55.10 2k52 s ASP 50 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 2k52 s ASP 50 CO 0.00 -0.54 0.84 -1.61 0.21 0.00 0.00 175.17 174.07 2k52 s GLU 51 N 1.22 4.30 0.00 8.23 2.02 -1.26 -1.07 118.70 132.15 2k52 s GLU 51 Ca 0.61 1.03 0.05 0.00 0.02 0.00 0.00 54.97 56.68 2k52 s GLU 51 Cb -0.31 -3.58 -0.01 0.00 0.10 0.00 0.00 34.13 30.33 2k52 s GLU 51 CO 0.29 -0.33 -0.16 0.42 0.02 0.00 0.00 175.26 175.50 2k52 s ILE 52 N 2.17 1.26 -0.23 -1.63 1.01 0.70 -4.96 121.20 119.52 2k52 s ILE 52 Ca 0.39 -0.77 -0.22 0.00 0.00 0.00 0.00 60.65 60.04 2k52 s ILE 52 Cb -0.17 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 2k52 s ILE 52 CO 0.12 0.28 0.71 -0.63 0.00 0.00 0.00 174.94 175.42 2k52 s ILE 53 N -0.49 4.94 0.03 2.92 1.01 -1.26 -1.50 121.20 126.85 2k52 s ILE 53 Ca 0.05 1.32 0.02 0.00 0.00 0.00 0.00 60.65 62.05 2k52 s ILE 53 Cb -0.07 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 2k52 s ILE 53 CO -0.00 0.02 -0.07 0.68 0.00 0.00 0.00 174.94 175.57 2k52 s VAL 54 N 2.40 0.52 -0.20 2.92 -7.23 0.20 -4.39 120.40 114.63 2k52 s VAL 54 Ca 0.31 -0.80 -0.14 0.00 -1.81 0.00 0.00 61.98 59.54 2k52 s VAL 54 Cb -0.16 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 2k52 s VAL 54 CO 0.09 -0.20 0.29 -1.58 -0.31 0.00 0.00 175.10 173.39 2k52 s GLN 55 N -1.09 4.17 -0.09 4.82 0.74 0.29 -1.64 119.66 126.87 2k52 s GLN 55 Ca -0.06 0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.08 2k52 s GLN 55 Cb -0.07 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 2k52 s GLN 55 CO 0.00 0.08 1.53 0.00 -0.55 0.00 0.00 175.29 176.35 2k52 s ALA 56 N 0.96 3.63 -0.06 1.58 0.00 -0.39 -0.56 121.76 126.92 2k52 s ALA 56 Ca 0.15 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 2k52 s ALA 56 Cb -0.14 -3.71 -0.01 0.00 0.00 0.00 0.00 23.12 19.26 2k52 s ALA 56 CO 0.05 -1.32 0.13 0.82 0.00 0.00 0.00 175.76 175.44 2k52 h ILE 57 N 5.54 0.00 -3.41 0.00 2.04 -0.61 0.44 117.51 121.50 2k52 h ILE 57 Ca -0.35 -0.59 -0.47 0.00 1.00 0.00 0.00 64.86 64.44 2k52 h ILE 57 Cb 1.15 0.00 -0.34 0.00 -0.74 0.00 0.00 36.82 36.89 2k52 h ILE 57 CO 0.96 0.00 -0.80 -1.81 0.00 0.00 0.00 178.15 176.50 2k52 s ASP 58 N -4.54 1.47 -0.35 1.72 1.01 -1.19 -3.97 116.67 110.81 2k52 s ASP 58 Ca -0.01 -0.23 -0.00 0.00 0.71 0.00 0.00 52.55 53.02 2k52 s ASP 58 Cb 0.00 -0.67 0.09 0.00 1.01 0.00 0.00 42.92 43.35 2k52 s ASP 58 CO 0.04 -0.02 0.08 -0.69 0.21 0.00 0.00 175.17 174.79 2k52 s VAL 59 N 0.87 2.88 -0.36 -1.27 1.01 -1.26 -0.78 120.40 121.49 2k52 s VAL 59 Ca -0.11 -1.89 0.02 0.00 0.00 0.00 0.00 61.98 60.00 2k52 s VAL 59 Cb -0.15 -2.89 0.11 0.00 0.00 0.00 0.00 36.38 33.45 2k52 s VAL 59 CO 0.01 -0.44 0.11 -0.13 0.00 0.00 0.00 175.10 174.65 2k52 s ARG 60 N 1.12 1.26 0.59 2.72 0.52 -0.59 -4.79 118.95 119.78 2k52 s ARG 60 Ca 0.03 -1.71 0.33 0.00 -0.52 0.00 0.00 55.73 53.86 2k52 s ARG 60 Cb -0.21 -2.71 1.87 0.00 0.52 0.00 0.00 34.95 34.43 2k52 s ARG 60 CO -0.04 -1.00 2.24 -1.00 0.02 0.00 0.00 175.30 175.52 2k52 h PRO 61 N 7.53 0.00 -0.75 3.54 0.13 -1.93 0.35 132.00 140.87 2k52 h PRO 61 Ca -0.07 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.21 2k52 h PRO 61 Cb 0.99 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.07 2k52 h PRO 61 CO 0.52 0.02 0.51 1.05 -0.23 0.00 0.00 178.00 179.87 2k52 h GLU 62 N 0.00 0.37 -0.00 0.86 4.11 -1.95 -2.36 114.58 115.61 2k52 h GLU 62 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2k52 h GLU 62 Cb 0.08 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k52 h GLU 62 CO 0.00 0.25 -0.10 1.63 0.07 0.00 0.00 179.01 180.86 2k52 n LYS 63 N -4.47 3.49 -2.06 1.06 4.76 -0.75 -5.00 118.16 115.20 2k52 n LYS 63 Ca 0.14 -0.27 -0.19 0.00 -2.87 0.00 0.00 58.31 55.12 2k52 n LYS 63 Cb 0.55 -0.81 -0.04 0.00 -1.84 0.00 0.00 35.03 32.89 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 -0.59 -1.64 -4.19 1.97 1.74 0.11 -4.98 116.66 109.08 2k52 n ARG 64 Ca 0.01 1.02 -0.35 0.00 -0.77 0.00 0.00 57.85 57.76 2k52 n ARG 64 Cb 0.07 -5.56 -0.08 0.00 -1.02 0.00 0.00 32.46 25.87 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 -4.47 3.11 -0.12 5.56 2.02 -1.00 -4.96 118.70 118.85 2k52 s GLU 65 Ca 0.00 -0.36 -0.02 0.00 0.02 0.00 0.00 54.97 54.61 2k52 s GLU 65 Cb 0.00 -2.90 0.04 0.00 0.10 0.00 0.00 34.13 31.37 2k52 s GLU 65 CO 0.00 0.71 0.00 0.42 0.02 0.00 0.00 175.26 176.41 2k52 s ILE 66 N -1.00 0.52 -0.04 -1.63 1.01 -1.26 -1.54 121.20 117.26 2k52 s ILE 66 Ca 0.16 -0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.52 2k52 s ILE 66 Cb -0.12 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 2k52 s ILE 66 CO 0.06 0.12 0.35 -1.81 0.00 0.00 0.00 174.94 173.65 2k52 s ASP 67 N 1.90 6.70 0.27 3.58 1.01 0.04 0.55 116.67 130.71 2k52 s ASP 67 Ca 0.03 0.83 0.11 0.00 0.71 0.00 0.00 52.55 54.24 2k52 s ASP 67 Cb -0.14 -2.21 -0.05 0.00 1.01 0.00 0.00 42.92 41.53 2k52 s ASP 67 CO -0.06 0.32 -0.16 -0.36 0.21 0.00 0.00 175.17 175.11 2k52 s PHE 68 N -0.91 2.38 0.03 4.23 0.08 0.15 0.14 117.98 124.08 2k52 s PHE 68 Ca 0.22 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.98 2k52 s PHE 68 Cb -0.15 -1.04 -0.02 0.00 -0.57 0.00 0.00 43.02 41.24 2k52 s PHE 68 CO 0.11 0.69 -0.07 0.21 -0.10 0.00 0.00 175.22 176.07 2k52 s LYS 69 N -3.52 0.47 0.03 0.44 2.20 0.28 -3.19 119.74 116.44 2k52 s LYS 69 Ca 0.30 -0.55 -0.20 0.00 -0.36 0.00 0.00 55.97 55.15 2k52 s LYS 69 Cb -0.05 -0.30 -0.06 0.00 -1.51 0.00 0.00 37.83 35.91 2k52 s LYS 69 CO 0.16 0.06 0.59 -0.47 -0.36 0.00 0.00 175.35 175.33 2k52 s TYR 70 N -0.96 3.74 0.02 4.03 6.14 -0.22 -0.54 117.35 129.55 2k52 s TYR 70 Ca -0.06 1.24 0.04 0.00 0.64 0.00 0.00 57.07 58.92 2k52 s TYR 70 Cb -0.07 -2.57 -0.02 0.00 0.42 0.00 0.00 41.96 39.72 2k52 s TYR 70 CO 0.00 0.45 -0.11 0.96 0.64 0.00 0.00 175.55 177.49 2k52 s ILE 71 N -0.56 0.84 0.40 3.14 -4.36 -1.26 -4.41 121.20 114.98 2k52 s ILE 71 Ca 0.30 -0.77 -0.25 0.00 -0.26 0.00 0.00 60.65 59.67 2k52 s ILE 71 Cb -0.19 -0.77 -0.09 0.00 1.25 0.00 0.00 42.46 42.67 2k52 s ILE 71 CO 0.18 0.01 1.12 -2.16 0.24 0.00 0.00 174.94 174.33 2k52 s PRO 72 N -0.86 4.11 -0.08 0.37 0.04 -1.26 -5.01 135.00 132.32 2k52 s PRO 72 Ca 0.00 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 62.55 2k52 s PRO 72 Cb -0.06 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 2k52 s PRO 72 CO 0.00 -0.24 0.62 -1.17 0.04 0.00 0.00 177.00 176.26 2k52 s LEU 73 N -2.50 4.31 0.00 -3.56 0.20 -1.26 -5.22 118.68 110.64 2k52 s LEU 73 Ca 0.57 1.06 0.25 0.00 0.69 0.00 0.00 54.13 56.70 2k52 s LEU 73 Cb -0.28 -2.94 0.50 0.00 -0.43 0.00 0.00 46.19 43.04 2k52 s LEU 73 CO 0.35 -0.06 1.44 -0.62 -0.29 0.00 0.00 176.35 177.16