#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 0.30 -0.07 6.12 2.15 -1.26 -4.94 116.67 118.97 2k52 s ASP 2 Ca 0.00 -0.74 0.04 0.00 0.43 0.00 0.00 52.55 52.28 2k52 s ASP 2 Cb 0.00 0.23 -0.02 0.00 -0.30 0.00 0.00 42.92 42.83 2k52 s ASP 2 CO 0.00 -0.57 -0.18 -0.69 -0.17 0.00 0.00 175.17 173.56 2k52 s VAL 3 N -3.27 2.70 0.06 1.11 1.01 -1.26 -5.13 120.40 115.61 2k52 s VAL 3 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2k52 s VAL 3 Cb 0.03 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2k52 s VAL 3 CO -0.08 0.57 0.20 -1.61 0.00 0.00 0.00 175.10 174.18 2k52 s GLU 4 N -0.29 3.39 -0.71 2.72 2.02 -1.26 -4.93 118.70 119.63 2k52 s GLU 4 Ca 0.01 -0.45 -0.26 0.00 0.02 0.00 0.00 54.97 54.29 2k52 s GLU 4 Cb -0.13 -3.02 -0.09 0.00 0.10 0.00 0.00 34.13 31.00 2k52 s GLU 4 CO 0.03 0.61 2.24 -1.25 0.02 0.00 0.00 175.26 176.91 2k52 s PRO 5 N -2.45 2.06 0.00 0.39 0.04 -1.26 -1.94 135.00 131.83 2k52 s PRO 5 Ca 0.34 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2k52 s PRO 5 Cb -0.13 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.67 2k52 s PRO 5 CO 0.27 -3.71 0.00 0.41 0.04 0.00 0.00 177.00 174.01 2k52 n GLY 6 N 6.47 0.42 3.81 0.56 0.00 0.33 -4.88 105.19 111.89 2k52 n GLY 6 Ca 0.39 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 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 4.30 -0.17 1.61 -0.14 -0.82 -4.83 119.74 119.70 2k52 s LYS 7 Ca 0.00 0.88 -0.23 0.00 -1.36 0.00 0.00 55.97 55.26 2k52 s LYS 7 Cb 0.00 -3.10 -0.02 0.00 -1.68 0.00 0.00 37.83 33.03 2k52 s LYS 7 CO 0.00 0.53 0.72 -0.06 -0.76 0.00 0.00 175.35 175.78 2k52 s PHE 8 N -1.29 3.42 0.13 3.18 0.40 -1.26 -1.90 117.98 120.67 2k52 s PHE 8 Ca 0.36 1.11 -0.05 0.00 -0.60 0.00 0.00 56.93 57.75 2k52 s PHE 8 Cb -0.19 -2.89 -0.02 0.00 0.51 0.00 0.00 43.02 40.43 2k52 s PHE 8 CO 0.22 -0.17 0.16 0.71 0.70 0.00 0.00 175.22 176.84 2k52 s TYR 9 N 1.86 0.56 -0.14 0.36 2.02 -0.73 -5.02 117.35 116.26 2k52 s TYR 9 Ca 0.34 -0.95 0.01 0.00 -0.37 0.00 0.00 57.07 56.09 2k52 s TYR 9 Cb -0.16 -0.25 -0.00 0.00 -0.40 0.00 0.00 41.96 41.14 2k52 s TYR 9 CO 0.12 -0.59 -0.16 0.21 -1.57 0.00 0.00 175.55 173.57 2k52 s LYS 10 N -3.98 3.24 0.30 -0.62 2.20 -1.26 -0.67 119.74 118.94 2k52 s LYS 10 Ca 0.18 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 2k52 s LYS 10 Cb 0.06 -2.60 -0.05 0.00 -1.51 0.00 0.00 37.83 33.73 2k52 s LYS 10 CO -0.01 0.08 0.10 0.20 -0.36 0.00 0.00 175.35 175.35 2k52 s GLY 11 N 0.66 1.95 -0.09 5.54 0.00 -0.46 -4.75 107.32 110.17 2k52 s GLY 11 Ca -0.08 -1.84 -0.00 0.00 0.00 0.00 0.00 44.72 42.80 2k52 s GLY 11 CO 0.02 -1.67 -0.05 0.54 0.00 0.00 0.00 173.10 171.94 2k52 s VAL 12 N -3.57 3.83 -0.10 1.40 0.11 -0.69 -0.18 120.40 121.21 2k52 s VAL 12 Ca 0.36 -0.42 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 2k52 s VAL 12 Cb 0.07 -2.59 -0.03 0.00 -1.53 0.00 0.00 36.38 32.30 2k52 s VAL 12 CO 0.15 0.58 1.32 -0.69 -3.33 0.00 0.00 175.10 173.13 2k52 s VAL 13 N -0.61 4.10 -0.17 2.04 1.01 -0.27 -1.37 120.40 125.13 2k52 s VAL 13 Ca 0.09 1.38 -0.23 0.00 0.00 0.00 0.00 61.98 63.23 2k52 s VAL 13 Cb -0.12 -3.89 -0.20 0.00 0.00 0.00 0.00 36.38 32.17 2k52 s VAL 13 CO 0.02 -0.08 0.40 0.71 0.00 0.00 0.00 175.10 176.15 2k52 h THR 14 N 5.30 1.17 -3.22 3.92 1.35 -1.45 -0.36 112.91 119.62 2k52 h THR 14 Ca -0.32 -2.13 -0.07 0.00 -0.55 0.00 0.00 66.41 63.34 2k52 h THR 14 Cb 1.14 2.47 -0.15 0.00 -1.73 0.00 0.00 68.15 69.87 2k52 h THR 14 CO 0.94 0.40 -0.13 0.00 -0.25 0.00 0.00 175.52 176.47 2k52 s ARG 15 N -2.27 0.94 -0.32 4.72 1.70 -1.25 -4.75 118.95 117.73 2k52 s ARG 15 Ca -0.23 -0.52 -0.14 0.00 -0.47 0.00 0.00 55.73 54.37 2k52 s ARG 15 Cb 0.02 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 2k52 s ARG 15 CO 0.59 -0.33 0.30 0.42 -1.08 0.00 0.00 175.30 175.20 2k52 s ILE 16 N -2.94 5.22 0.34 4.99 -1.09 -1.26 -2.76 121.20 123.70 2k52 s ILE 16 Ca -0.02 0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 2k52 s ILE 16 Cb 0.00 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 2k52 s ILE 16 CO -0.06 0.02 0.53 -1.61 -1.23 0.00 0.00 174.94 172.60 2k52 s GLU 17 N 1.91 3.43 0.00 2.79 0.41 0.13 -5.00 118.70 122.37 2k52 s GLU 17 Ca 0.10 -0.43 0.16 0.00 -0.41 0.00 0.00 54.97 54.39 2k52 s GLU 17 Cb -0.17 -2.69 0.79 0.00 -1.78 0.00 0.00 34.13 30.28 2k52 s GLU 17 CO 0.11 0.15 1.53 1.63 -0.49 0.00 0.00 175.26 178.19 2k52 n LYS 18 N -1.76 1.26 -0.03 1.61 5.02 -1.26 -2.91 118.16 120.10 2k52 n LYS 18 Ca -0.05 -0.40 0.01 0.00 -2.02 0.00 0.00 58.31 55.85 2k52 n LYS 18 Cb 0.56 -1.28 0.01 0.00 -0.02 0.00 0.00 35.03 34.31 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 -0.34 0.00 -2.00 2.13 4.11 -1.26 -5.09 117.16 114.70 2k52 n TYR 19 Ca 0.12 -0.32 0.00 0.00 -0.00 0.00 0.00 57.90 57.71 2k52 n TYR 19 Cb 0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.45 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 -0.07 2.87 -7.48 0.00 -1.14 -4.54 105.19 94.47 2k52 n GLY 20 Ca 0.01 -1.55 -0.17 0.00 0.00 0.00 0.00 46.02 44.31 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 0.41 -0.35 4.61 0.00 0.59 0.20 121.76 126.22 2k52 s ALA 21 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 2k52 s ALA 21 Cb 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2k52 s ALA 21 CO 0.00 -0.02 1.09 -0.06 0.00 0.00 0.00 175.76 176.78 2k52 s PHE 22 N 0.73 3.07 -0.07 0.00 0.08 -1.11 -0.64 117.98 120.03 2k52 s PHE 22 Ca -0.08 1.09 0.02 0.00 0.12 0.00 0.00 56.93 58.08 2k52 s PHE 22 Cb -0.11 -3.85 -0.02 0.00 -0.57 0.00 0.00 43.02 38.46 2k52 s PHE 22 CO -0.01 -0.89 -0.13 0.42 -0.10 0.00 0.00 175.22 174.51 2k52 s ILE 23 N 3.84 3.14 -0.29 0.64 1.01 -0.48 -1.08 121.20 127.98 2k52 s ILE 23 Ca 0.46 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 2k52 s ILE 23 Cb -0.11 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2k52 s ILE 23 CO 0.19 0.57 0.24 0.20 0.00 0.00 0.00 174.94 176.14 2k52 s ASN 24 N -0.45 6.07 0.29 3.58 0.01 -0.47 -1.48 114.94 122.50 2k52 s ASN 24 Ca 0.06 -0.05 0.24 0.00 -0.71 0.00 0.00 52.86 52.39 2k52 s ASN 24 Cb -0.12 -2.14 0.33 0.00 0.41 0.00 0.00 41.25 39.73 2k52 s ASN 24 CO 0.02 -0.12 1.45 -0.07 -1.51 0.00 0.00 177.10 176.87 2k52 h LEU 25 N 8.45 0.00 -7.16 0.60 3.38 -1.48 -1.83 115.31 117.27 2k52 h LEU 25 Ca -0.34 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.64 2k52 h LEU 25 Cb 1.18 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 2k52 h LEU 25 CO 0.59 0.02 0.31 0.21 0.09 0.00 0.00 178.44 179.65 2k52 s ASN 26 N -5.41 -0.45 0.33 -0.43 2.47 -1.18 -4.90 114.94 105.36 2k52 s ASN 26 Ca 0.06 -0.10 0.13 0.00 0.42 0.00 0.00 52.86 53.37 2k52 s ASN 26 Cb 0.09 0.55 1.04 0.00 -1.45 0.00 0.00 41.25 41.47 2k52 s ASN 26 CO 0.70 -0.92 1.65 -0.08 -3.72 0.00 0.00 177.10 174.73 2k52 h GLU 27 N 2.00 0.26 0.04 0.43 4.81 -2.00 -0.93 114.58 119.20 2k52 h GLU 27 Ca -0.28 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.62 2k52 h GLU 27 Cb 1.28 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 2k52 h GLU 27 CO 0.34 0.17 -1.77 1.96 -0.73 0.00 0.00 179.01 178.98 2k52 h GLN 28 N 0.27 0.09 -6.11 1.92 1.08 -1.96 -3.45 115.11 106.94 2k52 h GLN 28 Ca 0.71 -0.16 -0.58 0.00 -1.45 0.00 0.00 58.65 57.17 2k52 h GLN 28 Cb 1.61 0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 29.00 2k52 h GLN 28 CO -0.64 0.75 0.77 0.08 -0.95 0.00 0.00 178.83 178.85 2k52 s VAL 29 N -2.59 4.16 -0.09 -0.54 1.01 -0.35 -5.00 120.40 116.99 2k52 s VAL 29 Ca -0.10 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.32 2k52 s VAL 29 Cb 0.08 -4.68 0.01 0.00 0.00 0.00 0.00 36.38 31.79 2k52 s VAL 29 CO 0.81 -1.35 -0.16 -0.60 0.00 0.00 0.00 175.10 173.81 2k52 s ARG 30 N 4.57 2.16 0.36 2.72 3.52 -1.26 -1.28 118.95 129.74 2k52 s ARG 30 Ca 0.34 -0.56 0.05 0.00 -0.13 0.00 0.00 55.73 55.43 2k52 s ARG 30 Cb -0.11 -1.76 -0.02 0.00 -1.56 0.00 0.00 34.95 31.51 2k52 s ARG 30 CO 0.19 0.03 0.18 0.41 -0.81 0.00 0.00 175.30 175.30 2k52 n GLY 31 N 3.89 3.20 3.22 8.12 0.00 -0.55 -4.12 105.19 118.95 2k52 n GLY 31 Ca -0.21 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.44 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 2.69 -0.37 0.99 2.96 0.31 -1.38 118.68 123.89 2k52 s LEU 32 Ca 0.25 -0.58 -0.18 0.00 -0.22 0.00 0.00 54.13 53.41 2k52 s LEU 32 Cb 0.01 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 45.07 2k52 s LEU 32 CO 0.18 -0.03 0.48 -0.22 -1.32 0.00 0.00 176.35 175.43 2k52 s LEU 33 N 1.38 4.45 0.01 -0.68 2.96 0.19 -1.54 118.68 125.46 2k52 s LEU 33 Ca 0.04 -0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 2k52 s LEU 33 Cb -0.14 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.98 2k52 s LEU 33 CO -0.07 -0.49 0.27 -0.13 -1.32 0.00 0.00 176.35 174.61 2k52 s ARG 34 N 2.31 3.57 0.62 1.98 0.52 -1.26 -0.30 118.95 126.40 2k52 s ARG 34 Ca 0.17 -0.09 0.35 0.00 -0.52 0.00 0.00 55.73 55.63 2k52 s ARG 34 Cb -0.16 -3.07 2.02 0.00 0.52 0.00 0.00 34.95 34.26 2k52 s ARG 34 CO 0.13 0.64 2.27 -1.00 0.02 0.00 0.00 175.30 177.36 2k52 h PRO 35 N 3.91 0.00 0.00 3.54 0.13 -1.94 -1.21 132.00 136.42 2k52 h PRO 35 Ca -0.50 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 2k52 h PRO 35 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2k52 h PRO 35 CO 0.67 0.00 -0.85 0.00 -0.23 0.00 0.00 178.00 177.59 2k52 h ARG 36 N 0.00 0.00 -0.54 0.86 3.08 -1.95 -3.19 114.38 112.64 2k52 h ARG 36 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2k52 h ARG 36 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2k52 h ARG 36 CO -0.00 0.85 0.00 -0.25 -1.07 0.00 0.00 179.97 179.50 2k52 n ASP 37 N -3.38 2.48 -4.89 7.04 8.00 -0.46 -4.90 116.55 120.44 2k52 n ASP 37 Ca 0.00 -2.19 -0.32 0.00 0.71 0.00 0.00 54.79 52.99 2k52 n ASP 37 Cb 0.85 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.66 3.60 -0.24 -1.24 -1.94 -1.21 -1.10 119.30 115.52 2k52 s MET 38 Ca 0.25 -0.11 -0.14 0.00 -1.71 0.00 0.00 55.69 53.98 2k52 s MET 38 Cb 0.16 -2.94 -0.17 0.00 2.01 0.00 0.00 34.83 33.89 2k52 s MET 38 CO 0.13 0.54 -0.07 -0.89 -0.01 0.00 0.00 175.02 174.71 2k52 n ILE 39 N 0.43 1.55 0.00 2.53 2.08 -1.26 -4.91 119.36 119.78 2k52 n ILE 39 Ca -0.05 -0.32 0.00 0.00 0.56 0.00 0.00 62.75 62.94 2k52 n ILE 39 Cb 0.52 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 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 -4.11 1.80 -4.70 4.38 2.88 -1.26 -5.06 113.62 107.54 2k52 n SER 40 Ca -0.44 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.68 2k52 n SER 40 Cb 0.85 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.28 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 -4.77 4.32 0.17 2.46 1.43 -1.26 -5.05 118.68 115.97 2k52 s LEU 41 Ca 0.00 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 2k52 s LEU 41 Cb 0.00 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2k52 s LEU 41 CO 0.00 -0.36 0.33 -0.13 0.23 0.00 0.00 176.35 176.42 2k52 s ARG 42 N 1.44 3.49 0.43 1.70 1.81 -1.26 -4.83 118.95 121.73 2k52 s ARG 42 Ca 0.52 -0.44 0.15 0.00 -1.72 0.00 0.00 55.73 54.23 2k52 s ARG 42 Cb -0.21 -2.90 1.03 0.00 -0.45 0.00 0.00 34.95 32.42 2k52 s ARG 42 CO 0.24 0.47 1.95 -0.07 -0.68 0.00 0.00 175.30 177.21 2k52 h LEU 43 N 2.18 0.39 -2.62 2.53 3.38 -1.95 -0.50 115.31 118.70 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 1.19 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2k52 h LEU 43 CO 0.69 0.22 0.11 -0.33 0.09 0.00 0.00 178.44 179.21 2k52 h GLU 44 N 0.42 0.00 -0.15 1.13 5.08 -1.97 -1.73 114.58 117.36 2k52 h GLU 44 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2k52 h GLU 44 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2k52 h GLU 44 CO -0.10 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.00 2k52 n ASN 45 N -2.99 2.37 -4.81 1.42 3.02 -0.20 -5.00 115.26 109.07 2k52 n ASN 45 Ca -0.03 -1.97 -0.36 0.00 -0.03 0.00 0.00 54.58 52.20 2k52 n ASN 45 Cb 0.17 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.97 4.25 0.24 3.41 1.43 -0.65 -4.96 118.68 121.42 2k52 s LEU 46 Ca 0.10 0.35 0.11 0.00 -1.03 0.00 0.00 54.13 53.66 2k52 s LEU 46 Cb 0.05 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 2k52 s LEU 46 CO 0.07 0.32 -0.19 0.20 0.23 0.00 0.00 176.35 176.98 2k52 s ASN 47 N -0.52 3.28 0.06 2.29 0.01 -1.26 -4.96 114.94 113.84 2k52 s ASN 47 Ca 0.12 -0.98 -0.31 0.00 -0.71 0.00 0.00 52.86 50.98 2k52 s ASN 47 Cb -0.12 -0.25 -0.08 0.00 0.41 0.00 0.00 41.25 41.22 2k52 s ASN 47 CO 0.02 0.01 1.64 -0.69 -1.51 0.00 0.00 177.10 176.57 2k52 s VAL 48 N -2.41 3.12 0.00 1.60 1.01 -1.26 -2.76 120.40 119.70 2k52 s VAL 48 Ca 0.26 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2k52 s VAL 48 Cb -0.05 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2k52 s VAL 48 CO 0.12 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2k52 n GLY 49 N 3.99 0.47 3.74 4.51 0.00 -0.14 -5.01 105.19 112.74 2k52 n GLY 49 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.25 7.54 -0.43 1.61 1.01 -1.11 -4.77 116.67 118.28 2k52 s ASP 50 Ca 0.00 1.84 -0.23 0.00 0.71 0.00 0.00 52.55 54.86 2k52 s ASP 50 Cb 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.36 2k52 s ASP 50 CO 0.00 0.02 0.80 -1.61 0.21 0.00 0.00 175.17 174.59 2k52 s GLU 51 N -0.42 3.53 -0.09 8.23 2.02 -1.26 -1.11 118.70 129.59 2k52 s GLU 51 Ca 0.45 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.49 2k52 s GLU 51 Cb -0.24 -3.90 -0.03 0.00 0.10 0.00 0.00 34.13 30.06 2k52 s GLU 51 CO 0.30 -1.05 -0.08 0.42 0.02 0.00 0.00 175.26 174.86 2k52 s ILE 52 N 3.30 3.53 -0.40 -1.63 1.01 0.75 -4.92 121.20 122.84 2k52 s ILE 52 Ca 0.31 -0.52 -0.25 0.00 0.00 0.00 0.00 60.65 60.19 2k52 s ILE 52 Cb -0.12 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.91 2k52 s ILE 52 CO 0.22 0.57 0.87 -0.63 0.00 0.00 0.00 174.94 175.96 2k52 s ILE 53 N -0.40 4.60 0.04 2.92 1.01 -1.26 -1.36 121.20 126.75 2k52 s ILE 53 Ca 0.06 0.89 0.05 0.00 0.00 0.00 0.00 60.65 61.65 2k52 s ILE 53 Cb -0.12 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 2k52 s ILE 53 CO 0.02 -0.61 -0.14 0.68 0.00 0.00 0.00 174.94 174.90 2k52 s VAL 54 N 3.42 1.08 -0.20 2.92 -7.23 0.16 -3.33 120.40 117.21 2k52 s VAL 54 Ca 0.35 -1.00 -0.10 0.00 -1.81 0.00 0.00 61.98 59.42 2k52 s VAL 54 Cb -0.12 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.79 2k52 s VAL 54 CO 0.21 -0.02 0.13 -1.58 -0.31 0.00 0.00 175.10 173.53 2k52 s GLN 55 N -1.16 4.15 -0.60 4.82 0.74 0.41 -1.77 119.66 126.24 2k52 s GLN 55 Ca 0.01 -0.24 -0.28 0.00 0.05 0.00 0.00 55.36 54.90 2k52 s GLN 55 Cb -0.08 -3.42 0.01 0.00 1.10 0.00 0.00 33.01 30.63 2k52 s GLN 55 CO 0.01 0.26 1.43 0.00 -0.55 0.00 0.00 175.29 176.44 2k52 s ALA 56 N 0.47 2.73 0.07 1.58 0.00 -0.80 -0.80 121.76 125.02 2k52 s ALA 56 Ca 0.07 -0.82 -0.35 0.00 0.00 0.00 0.00 51.96 50.87 2k52 s ALA 56 Cb -0.12 -4.15 -0.19 0.00 0.00 0.00 0.00 23.12 18.66 2k52 s ALA 56 CO -0.01 -3.10 1.60 0.82 0.00 0.00 0.00 175.76 175.07 2k52 h ILE 57 N 6.35 0.17 -4.02 0.00 2.04 -0.49 0.96 117.51 122.52 2k52 h ILE 57 Ca -0.27 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 2k52 h ILE 57 Cb 1.09 0.17 -0.18 0.00 -0.74 0.00 0.00 36.82 37.15 2k52 h ILE 57 CO 1.20 0.00 -0.65 -1.81 0.00 0.00 0.00 178.15 176.89 2k52 s ASP 58 N -4.26 0.30 -0.23 1.72 1.01 -1.25 -3.74 116.67 110.22 2k52 s ASP 58 Ca -0.18 -0.66 -0.02 0.00 0.71 0.00 0.00 52.55 52.39 2k52 s ASP 58 Cb 0.03 0.16 0.01 0.00 1.01 0.00 0.00 42.92 44.14 2k52 s ASP 58 CO 0.61 -0.44 -0.07 -0.69 0.21 0.00 0.00 175.17 174.79 2k52 s VAL 59 N -2.48 2.95 -0.52 -1.27 1.01 -1.26 -0.88 120.40 117.94 2k52 s VAL 59 Ca -0.06 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 2k52 s VAL 59 Cb -0.02 -2.41 0.14 0.00 0.00 0.00 0.00 36.38 34.08 2k52 s VAL 59 CO -0.05 0.32 0.36 -0.13 0.00 0.00 0.00 175.10 175.61 2k52 s ARG 60 N 1.38 2.44 0.08 2.72 0.52 0.18 -4.96 118.95 121.31 2k52 s ARG 60 Ca 0.03 -2.06 -0.19 0.00 -0.52 0.00 0.00 55.73 52.98 2k52 s ARG 60 Cb -0.15 -3.80 -0.09 0.00 0.52 0.00 0.00 34.95 31.42 2k52 s ARG 60 CO -0.05 -1.16 1.55 -1.35 0.02 0.00 0.00 175.30 174.31 2k52 h PRO 61 N 7.86 0.37 -0.92 3.54 0.11 -1.94 0.34 132.00 141.35 2k52 h PRO 61 Ca -0.11 -0.10 0.15 0.00 0.11 0.00 0.00 66.00 66.06 2k52 h PRO 61 Cb 1.03 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.02 2k52 h PRO 61 CO 0.76 0.51 0.59 1.05 -0.21 0.00 0.00 178.00 180.70 2k52 h GLU 62 N 0.16 0.69 0.00 1.05 4.11 -1.96 -1.34 114.58 117.29 2k52 h GLU 62 Ca 0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2k52 h GLU 62 Cb 0.33 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k52 h GLU 62 CO 0.01 0.46 -0.96 1.63 0.07 0.00 0.00 179.01 180.22 2k52 n LYS 63 N -4.59 0.10 -1.37 1.06 4.76 -1.14 -4.96 118.16 112.02 2k52 n LYS 63 Ca 0.18 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 2k52 n LYS 63 Cb 0.49 -1.52 -0.06 0.00 -1.84 0.00 0.00 35.03 32.10 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 -1.64 -1.33 -4.45 1.97 1.74 0.11 -4.98 116.66 108.09 2k52 n ARG 64 Ca 0.03 0.93 -0.34 0.00 -0.77 0.00 0.00 57.85 57.71 2k52 n ARG 64 Cb 0.37 -5.17 -0.12 0.00 -1.02 0.00 0.00 32.46 26.52 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 -3.00 3.45 -0.11 5.56 2.02 -0.61 -4.91 118.70 121.10 2k52 s GLU 65 Ca 0.00 -0.52 -0.00 0.00 0.02 0.00 0.00 54.97 54.47 2k52 s GLU 65 Cb 0.00 -2.84 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2k52 s GLU 65 CO 0.00 0.36 -0.11 0.42 0.02 0.00 0.00 175.26 175.95 2k52 s ILE 66 N 0.04 3.28 -0.15 -1.63 1.01 -1.26 -0.64 121.20 121.86 2k52 s ILE 66 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 60.65 59.80 2k52 s ILE 66 Cb -0.13 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 2k52 s ILE 66 CO 0.03 0.54 0.82 -1.81 0.00 0.00 0.00 174.94 174.51 2k52 s ASP 67 N 0.03 6.98 -0.06 3.58 1.01 -0.06 -0.53 116.67 127.62 2k52 s ASP 67 Ca -0.03 1.20 0.00 0.00 0.71 0.00 0.00 52.55 54.43 2k52 s ASP 67 Cb -0.14 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2k52 s ASP 67 CO 0.04 -0.35 -0.04 -0.36 0.21 0.00 0.00 175.17 174.67 2k52 s PHE 68 N 1.90 3.03 0.06 4.23 0.08 -0.59 0.30 117.98 126.99 2k52 s PHE 68 Ca 0.39 0.09 0.07 0.00 0.12 0.00 0.00 56.93 57.59 2k52 s PHE 68 Cb -0.17 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2k52 s PHE 68 CO 0.14 0.40 -0.19 0.21 -0.10 0.00 0.00 175.22 175.68 2k52 s LYS 69 N -0.96 1.20 -0.01 0.44 2.20 0.02 -3.99 119.74 118.64 2k52 s LYS 69 Ca 0.14 -0.96 -0.22 0.00 -0.36 0.00 0.00 55.97 54.57 2k52 s LYS 69 Cb -0.11 -1.33 -0.05 0.00 -1.51 0.00 0.00 37.83 34.83 2k52 s LYS 69 CO 0.03 0.33 0.66 -0.47 -0.36 0.00 0.00 175.35 175.54 2k52 s TYR 70 N -0.92 3.66 -0.01 4.03 5.04 -0.26 -0.45 117.35 128.44 2k52 s TYR 70 Ca 0.06 1.26 0.06 0.00 -2.44 0.00 0.00 57.07 56.01 2k52 s TYR 70 Cb -0.09 -2.71 -0.01 0.00 0.35 0.00 0.00 41.96 39.50 2k52 s TYR 70 CO 0.02 0.26 -0.19 0.96 -1.34 0.00 0.00 175.55 175.26 2k52 s ILE 71 N 0.13 1.48 0.00 3.14 -4.36 -1.21 -4.30 121.20 116.09 2k52 s ILE 71 Ca 0.34 -0.80 -0.00 0.00 -0.26 0.00 0.00 60.65 59.93 2k52 s ILE 71 Cb -0.18 -1.23 -0.01 0.00 1.25 0.00 0.00 42.46 42.28 2k52 s ILE 71 CO 0.18 0.42 1.46 -2.65 0.24 0.00 0.00 174.94 174.59 2k52 n PRO 72 N 2.62 0.73 -2.43 0.37 -0.02 -1.26 -4.88 135.00 130.13 2k52 n PRO 72 Ca -0.15 -0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 2k52 n PRO 72 Cb 0.53 -1.19 -0.03 0.00 -0.02 0.00 0.00 33.50 32.80 2k52 n PRO 72 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k52 s LEU 73 N 0.00 4.33 0.00 2.45 0.20 -1.26 -5.24 118.68 119.16 2k52 s LEU 73 Ca 0.02 1.92 0.00 0.00 0.69 0.00 0.00 54.13 56.76 2k52 s LEU 73 Cb 0.01 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.20 2k52 s LEU 73 CO 0.00 -0.53 0.37 -1.84 -0.29 0.00 0.00 176.35 174.06