#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 5.28 -0.16 6.12 2.15 -1.26 -4.89 116.67 123.92 2k52 s ASP 2 Ca 0.00 -0.28 -0.03 0.00 0.43 0.00 0.00 52.55 52.68 2k52 s ASP 2 Cb 0.00 -1.29 -0.02 0.00 -0.30 0.00 0.00 42.92 41.31 2k52 s ASP 2 CO 0.00 0.03 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.28 2k52 s VAL 3 N -1.95 3.66 0.15 1.11 1.01 -1.26 -5.12 120.40 118.01 2k52 s VAL 3 Ca 0.31 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.92 2k52 s VAL 3 Cb -0.09 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2k52 s VAL 3 CO 0.23 0.49 -0.01 -1.61 0.00 0.00 0.00 175.10 174.20 2k52 s GLU 4 N 0.47 2.41 0.33 2.72 2.02 -1.26 -4.95 118.70 120.44 2k52 s GLU 4 Ca -0.05 -1.04 -0.29 0.00 0.02 0.00 0.00 54.97 53.62 2k52 s GLU 4 Cb -0.15 -2.39 -0.11 0.00 0.10 0.00 0.00 34.13 31.58 2k52 s GLU 4 CO 0.03 0.48 1.45 -1.25 0.02 0.00 0.00 175.26 176.00 2k52 s PRO 5 N -2.73 4.20 0.00 0.39 0.04 -1.26 -2.75 135.00 132.89 2k52 s PRO 5 Ca 0.26 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2k52 s PRO 5 Cb -0.10 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2k52 s PRO 5 CO 0.18 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2k52 n GLY 6 N 1.13 0.88 3.86 0.56 0.00 0.14 -5.01 105.19 106.76 2k52 n GLY 6 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.16 3.82 -0.19 1.61 -0.14 -1.11 -4.87 119.74 118.71 2k52 s LYS 7 Ca 0.00 0.27 -0.14 0.00 -1.36 0.00 0.00 55.97 54.74 2k52 s LYS 7 Cb 0.00 -2.98 -0.04 0.00 -1.68 0.00 0.00 37.83 33.13 2k52 s LYS 7 CO 0.00 0.54 0.31 -0.06 -0.76 0.00 0.00 175.35 175.38 2k52 s PHE 8 N -1.41 3.40 0.11 3.18 0.08 -1.26 -0.64 117.98 121.44 2k52 s PHE 8 Ca 0.34 0.53 -0.00 0.00 0.12 0.00 0.00 56.93 57.92 2k52 s PHE 8 Cb -0.14 -2.40 -0.04 0.00 -0.57 0.00 0.00 43.02 39.87 2k52 s PHE 8 CO 0.18 0.11 0.01 0.71 -0.10 0.00 0.00 175.22 176.14 2k52 s TYR 9 N 0.90 0.81 -0.26 0.36 2.02 -0.11 -4.99 117.35 116.08 2k52 s TYR 9 Ca 0.16 -1.13 -0.12 0.00 -0.37 0.00 0.00 57.07 55.61 2k52 s TYR 9 Cb -0.14 -0.49 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 2k52 s TYR 9 CO 0.05 -0.40 0.22 0.21 -1.57 0.00 0.00 175.55 174.06 2k52 s LYS 10 N -3.97 4.01 0.31 -0.62 2.20 -1.26 -0.14 119.74 120.27 2k52 s LYS 10 Ca 0.18 -0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.64 2k52 s LYS 10 Cb 0.07 -3.62 -0.06 0.00 -1.51 0.00 0.00 37.83 32.71 2k52 s LYS 10 CO -0.02 -0.12 -0.04 0.20 -0.36 0.00 0.00 175.35 175.02 2k52 s GLY 11 N 1.50 2.01 -0.11 5.54 0.00 -0.04 -4.68 107.32 111.54 2k52 s GLY 11 Ca 0.09 -2.01 -0.02 0.00 0.00 0.00 0.00 44.72 42.79 2k52 s GLY 11 CO 0.09 -1.90 -0.04 0.54 0.00 0.00 0.00 173.10 171.79 2k52 s VAL 12 N -2.96 3.90 -0.16 1.40 0.11 -0.50 0.55 120.40 122.74 2k52 s VAL 12 Ca 0.32 -0.38 -0.29 0.00 -2.93 0.00 0.00 61.98 58.69 2k52 s VAL 12 Cb 0.05 -2.65 -0.03 0.00 -1.53 0.00 0.00 36.38 32.22 2k52 s VAL 12 CO 0.14 0.55 1.55 -0.69 -3.33 0.00 0.00 175.10 173.32 2k52 s VAL 13 N -0.29 3.79 -0.19 2.04 1.01 -0.51 -1.98 120.40 124.25 2k52 s VAL 13 Ca 0.05 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 2k52 s VAL 13 Cb -0.13 -3.70 -0.18 0.00 0.00 0.00 0.00 36.38 32.37 2k52 s VAL 13 CO 0.02 -0.20 0.22 0.71 0.00 0.00 0.00 175.10 175.85 2k52 h THR 14 N 5.85 0.89 -3.00 3.92 1.35 -1.47 -1.16 112.91 119.29 2k52 h THR 14 Ca -0.34 -2.05 -0.13 0.00 -0.55 0.00 0.00 66.41 63.35 2k52 h THR 14 Cb 1.15 2.07 -0.22 0.00 -1.73 0.00 0.00 68.15 69.42 2k52 h THR 14 CO 0.98 0.30 -0.29 0.00 -0.25 0.00 0.00 175.52 176.26 2k52 s ARG 15 N -2.32 0.58 -0.36 4.72 1.70 -1.24 -4.83 118.95 117.20 2k52 s ARG 15 Ca -0.26 0.02 -0.18 0.00 -0.47 0.00 0.00 55.73 54.84 2k52 s ARG 15 Cb 0.04 0.26 -0.00 0.00 -0.57 0.00 0.00 34.95 34.69 2k52 s ARG 15 CO 0.55 -0.14 0.51 0.42 -1.08 0.00 0.00 175.30 175.56 2k52 s ILE 16 N -0.84 5.02 0.18 4.99 -1.09 -1.26 -2.26 121.20 125.94 2k52 s ILE 16 Ca -0.09 0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.62 2k52 s ILE 16 Cb -0.04 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 2k52 s ILE 16 CO 0.03 -0.24 0.34 -1.61 -1.23 0.00 0.00 174.94 172.23 2k52 s GLU 17 N 2.38 3.47 0.16 2.79 0.41 0.12 -4.99 118.70 123.05 2k52 s GLU 17 Ca 0.18 -0.49 0.14 0.00 -0.41 0.00 0.00 54.97 54.38 2k52 s GLU 17 Cb -0.15 -2.90 0.67 0.00 -1.78 0.00 0.00 34.13 29.97 2k52 s GLU 17 CO 0.13 0.46 1.42 1.63 -0.49 0.00 0.00 175.26 178.41 2k52 n LYS 18 N -0.66 0.08 -0.01 1.61 5.02 -1.26 -1.85 118.16 121.09 2k52 n LYS 18 Ca -0.06 0.51 0.01 0.00 -2.02 0.00 0.00 58.31 56.75 2k52 n LYS 18 Cb 0.54 -1.73 0.02 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.90 0.00 0.00 2.13 4.11 -1.26 -5.10 117.16 115.14 2k52 n TYR 19 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 57.90 57.38 2k52 n TYR 19 Cb 0.07 -0.06 0.00 0.00 -0.00 0.00 0.00 39.34 39.35 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 -0.58 1.02 3.27 -7.48 0.00 -0.77 -4.52 105.19 96.13 2k52 n GLY 20 Ca 0.02 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.64 2.51 -0.32 4.61 0.00 -0.58 0.14 121.76 126.49 2k52 s ALA 21 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 2k52 s ALA 21 Cb 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.90 2k52 s ALA 21 CO 0.00 -0.03 1.12 -0.06 0.00 0.00 0.00 175.76 176.79 2k52 s PHE 22 N 0.81 3.05 -0.06 0.00 0.40 -0.96 -0.28 117.98 120.95 2k52 s PHE 22 Ca -0.05 1.12 0.06 0.00 -0.60 0.00 0.00 56.93 57.46 2k52 s PHE 22 Cb -0.15 -3.75 -0.01 0.00 0.51 0.00 0.00 43.02 39.62 2k52 s PHE 22 CO -0.00 -0.97 -0.25 0.42 0.70 0.00 0.00 175.22 175.12 2k52 s ILE 23 N 3.80 2.05 -0.23 0.64 1.01 -0.47 -1.12 121.20 126.87 2k52 s ILE 23 Ca 0.48 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 2k52 s ILE 23 Cb -0.13 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 2k52 s ILE 23 CO 0.17 0.57 0.03 0.20 0.00 0.00 0.00 174.94 175.91 2k52 s ASN 24 N -0.17 4.91 0.42 3.58 0.01 -0.84 -1.65 114.94 121.20 2k52 s ASN 24 Ca -0.03 -0.23 0.23 0.00 -0.71 0.00 0.00 52.86 52.11 2k52 s ASN 24 Cb -0.14 -1.86 0.35 0.00 0.41 0.00 0.00 41.25 40.01 2k52 s ASN 24 CO 0.04 0.00 1.60 -0.07 -1.51 0.00 0.00 177.10 177.15 2k52 h LEU 25 N 7.97 0.00 -7.19 0.60 3.38 -1.84 -1.32 115.31 116.92 2k52 h LEU 25 Ca -0.38 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.66 2k52 h LEU 25 Cb 1.17 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.80 2k52 h LEU 25 CO 0.59 0.00 0.37 0.21 0.09 0.00 0.00 178.44 179.71 2k52 s ASN 26 N -6.09 -0.40 0.20 -0.43 2.47 -1.26 -4.77 114.94 104.65 2k52 s ASN 26 Ca 0.07 -0.12 -0.12 0.00 0.42 0.00 0.00 52.86 53.12 2k52 s ASN 26 Cb 0.06 0.50 0.23 0.00 -1.45 0.00 0.00 41.25 40.59 2k52 s ASN 26 CO 0.67 -0.85 1.72 -0.08 -3.72 0.00 0.00 177.10 174.84 2k52 h GLU 27 N 2.00 0.28 -0.07 0.43 4.81 -1.93 0.47 114.58 120.56 2k52 h GLU 27 Ca -0.26 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2k52 h GLU 27 Cb 1.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2k52 h GLU 27 CO 0.32 0.18 0.00 1.04 -0.73 0.00 0.00 179.01 179.82 2k52 n GLN 28 N -5.08 1.33 -4.61 1.92 1.13 -1.26 -4.85 117.38 105.95 2k52 n GLN 28 Ca 0.07 -0.50 -0.34 0.00 -1.94 0.00 0.00 57.00 54.29 2k52 n GLN 28 Cb 0.26 -1.34 -0.11 0.00 0.11 0.00 0.00 30.24 29.16 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 -1.91 3.68 -0.06 5.09 1.01 0.16 -5.12 120.40 123.25 2k52 s VAL 29 Ca 0.30 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2k52 s VAL 29 Cb 0.15 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 34.04 2k52 s VAL 29 CO 0.24 0.58 0.14 -0.60 0.00 0.00 0.00 175.10 175.46 2k52 s ARG 30 N -0.62 0.11 0.30 2.72 3.52 -1.26 -4.13 118.95 119.58 2k52 s ARG 30 Ca 0.09 0.32 -0.08 0.00 -0.13 0.00 0.00 55.73 55.93 2k52 s ARG 30 Cb -0.12 -0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.20 2k52 s ARG 30 CO 0.02 -0.12 0.54 0.41 -0.81 0.00 0.00 175.30 175.33 2k52 n GLY 31 N 3.88 1.62 2.95 8.12 0.00 -0.66 -2.51 105.19 118.59 2k52 n GLY 31 Ca -0.23 -1.35 -0.22 0.00 0.00 0.00 0.00 46.02 44.22 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 1.44 -0.29 0.99 2.96 0.65 -1.37 118.68 123.06 2k52 s LEU 32 Ca 0.17 -0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 53.72 2k52 s LEU 32 Cb -0.03 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 46.01 2k52 s LEU 32 CO 0.12 -0.02 0.38 -0.22 -1.32 0.00 0.00 176.35 175.29 2k52 s LEU 33 N 0.87 4.12 -0.05 -0.68 2.96 0.61 -0.84 118.68 125.68 2k52 s LEU 33 Ca -0.11 0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 53.78 2k52 s LEU 33 Cb -0.15 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 2k52 s LEU 33 CO 0.01 -0.23 0.58 -0.13 -1.32 0.00 0.00 176.35 175.26 2k52 s ARG 34 N 2.09 4.34 0.54 1.98 0.52 -1.23 -1.52 118.95 125.66 2k52 s ARG 34 Ca 0.15 0.68 0.24 0.00 -0.52 0.00 0.00 55.73 56.27 2k52 s ARG 34 Cb -0.16 -3.39 1.50 0.00 0.52 0.00 0.00 34.95 33.42 2k52 s ARG 34 CO 0.10 0.25 2.16 -1.00 0.02 0.00 0.00 175.30 176.84 2k52 h PRO 35 N 6.15 0.00 0.00 3.54 0.13 -1.94 -0.86 132.00 139.01 2k52 h PRO 35 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 2k52 h PRO 35 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k52 h PRO 35 CO 0.72 0.05 -0.11 0.00 -0.23 0.00 0.00 178.00 178.43 2k52 h ARG 36 N 0.00 0.00 -0.46 0.86 3.08 -1.94 -2.35 114.38 113.57 2k52 h ARG 36 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k52 h ARG 36 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2k52 h ARG 36 CO 0.01 0.11 0.00 -0.25 -1.07 0.00 0.00 179.97 178.77 2k52 n ASP 37 N -3.51 3.94 -4.62 7.04 8.00 -0.34 -4.94 116.55 122.11 2k52 n ASP 37 Ca -0.01 -2.44 -0.40 0.00 0.71 0.00 0.00 54.79 52.65 2k52 n ASP 37 Cb 0.25 -0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.80 4.09 0.00 -1.24 -1.94 -0.89 -0.77 119.30 116.75 2k52 s MET 38 Ca 0.40 0.35 0.00 0.00 -1.71 0.00 0.00 55.69 54.73 2k52 s MET 38 Cb 0.26 -3.64 0.00 0.00 2.01 0.00 0.00 34.83 33.46 2k52 s MET 38 CO 0.18 -0.33 0.00 -0.89 -0.01 0.00 0.00 175.02 173.97 2k52 n ILE 39 N 5.08 0.00 -0.01 2.53 2.08 -1.26 -4.81 119.36 122.98 2k52 n ILE 39 Ca -0.04 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.15 2k52 n ILE 39 Cb 0.50 -0.32 -0.10 0.00 -0.75 0.00 0.00 39.64 38.97 2k52 n ILE 39 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2k52 h SER 40 N 0.00 -0.05 -3.27 4.38 0.02 -1.93 -3.45 113.55 109.24 2k52 h SER 40 Ca 0.00 -0.56 -0.57 0.00 -0.84 0.00 0.00 61.79 59.83 2k52 h SER 40 Cb 0.00 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2k52 h SER 40 CO 0.00 0.56 -0.06 -0.76 -1.14 0.00 0.00 176.83 175.43 2k52 s LEU 41 N -8.94 4.43 0.28 5.07 1.43 -1.26 -5.10 118.68 114.58 2k52 s LEU 41 Ca -0.16 1.16 0.10 0.00 -1.03 0.00 0.00 54.13 54.20 2k52 s LEU 41 Cb 0.00 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.10 2k52 s LEU 41 CO 0.62 0.19 -0.05 -0.13 0.23 0.00 0.00 176.35 177.20 2k52 s ARG 42 N -1.55 2.10 0.42 1.70 1.81 -1.26 -4.74 118.95 117.42 2k52 s ARG 42 Ca 0.33 -1.56 0.17 0.00 -1.72 0.00 0.00 55.73 52.95 2k52 s ARG 42 Cb -0.17 -2.02 1.06 0.00 -0.45 0.00 0.00 34.95 33.37 2k52 s ARG 42 CO 0.19 0.32 1.88 -0.07 -0.68 0.00 0.00 175.30 176.93 2k52 h LEU 43 N 1.98 0.41 -2.70 2.53 3.38 -1.95 -0.24 115.31 118.72 2k52 h LEU 43 Ca -0.43 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2k52 h LEU 43 Cb 1.25 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2k52 h LEU 43 CO 0.61 0.18 0.07 -0.33 0.09 0.00 0.00 178.44 179.07 2k52 h GLU 44 N 0.42 0.00 -0.01 1.13 5.08 -1.99 -2.36 114.58 116.86 2k52 h GLU 44 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2k52 h GLU 44 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2k52 h GLU 44 CO -0.16 0.00 -0.13 0.09 -1.00 0.00 0.00 179.01 177.81 2k52 n ASN 45 N -3.22 1.22 -4.78 1.42 3.02 -0.11 -5.02 115.26 107.79 2k52 n ASN 45 Ca -0.02 -1.11 -0.39 0.00 -0.03 0.00 0.00 54.58 53.02 2k52 n ASN 45 Cb 0.15 0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.32 4.54 0.12 3.41 1.43 -0.89 -4.99 118.68 120.98 2k52 s LEU 46 Ca 0.07 1.47 0.09 0.00 -1.03 0.00 0.00 54.13 54.73 2k52 s LEU 46 Cb 0.07 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 2k52 s LEU 46 CO 0.18 0.18 -0.21 0.20 0.23 0.00 0.00 176.35 176.94 2k52 s ASN 47 N -0.85 2.65 -0.03 2.29 0.01 -1.26 -4.97 114.94 112.78 2k52 s ASN 47 Ca 0.34 -0.74 -0.30 0.00 -0.71 0.00 0.00 52.86 51.45 2k52 s ASN 47 Cb -0.21 -0.15 -0.07 0.00 0.41 0.00 0.00 41.25 41.22 2k52 s ASN 47 CO 0.23 0.04 1.87 -0.69 -1.51 0.00 0.00 177.10 177.04 2k52 s VAL 48 N -1.41 3.24 0.00 1.60 1.01 -1.26 -2.22 120.40 121.35 2k52 s VAL 48 Ca 0.10 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2k52 s VAL 48 Cb -0.09 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2k52 s VAL 48 CO 0.05 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2k52 n GLY 49 N 4.52 2.11 3.64 4.51 0.00 -0.44 -5.01 105.19 114.52 2k52 n GLY 49 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.51 6.28 -0.68 1.61 1.01 -0.94 -4.68 116.67 117.75 2k52 s ASP 50 Ca 0.00 2.26 -0.21 0.00 0.71 0.00 0.00 52.55 55.32 2k52 s ASP 50 Cb 0.00 -2.53 0.09 0.00 1.01 0.00 0.00 42.92 41.50 2k52 s ASP 50 CO 0.00 -1.25 0.90 -1.61 0.21 0.00 0.00 175.17 173.42 2k52 s GLU 51 N 4.80 3.17 -0.02 8.23 2.02 -1.26 -1.43 118.70 134.20 2k52 s GLU 51 Ca 0.85 -1.16 -0.00 0.00 0.02 0.00 0.00 54.97 54.68 2k52 s GLU 51 Cb -0.36 -4.34 -0.04 0.00 0.10 0.00 0.00 34.13 29.49 2k52 s GLU 51 CO 0.36 -1.71 0.04 0.42 0.02 0.00 0.00 175.26 174.39 2k52 s ILE 52 N 3.34 4.48 -0.43 -1.63 1.01 0.19 -4.77 121.20 123.39 2k52 s ILE 52 Ca 0.20 -0.43 -0.26 0.00 0.00 0.00 0.00 60.65 60.16 2k52 s ILE 52 Cb -0.18 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.32 2k52 s ILE 52 CO 0.06 0.42 0.98 -0.63 0.00 0.00 0.00 174.94 175.76 2k52 s ILE 53 N -1.09 4.45 0.12 2.92 1.01 -1.26 -0.86 121.20 126.49 2k52 s ILE 53 Ca 0.20 1.03 0.06 0.00 0.00 0.00 0.00 60.65 61.93 2k52 s ILE 53 Cb -0.12 -4.44 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2k52 s ILE 53 CO 0.10 -0.77 -0.13 0.68 0.00 0.00 0.00 174.94 174.82 2k52 s VAL 54 N 3.82 1.29 -0.21 2.92 -7.23 0.80 -4.17 120.40 117.63 2k52 s VAL 54 Ca 0.40 -1.74 -0.14 0.00 -1.81 0.00 0.00 61.98 58.69 2k52 s VAL 54 Cb -0.10 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 2k52 s VAL 54 CO 0.25 -0.45 0.32 -1.58 -0.31 0.00 0.00 175.10 173.32 2k52 s GLN 55 N -2.77 4.16 -0.62 4.82 0.74 0.48 -0.93 119.66 125.55 2k52 s GLN 55 Ca 0.09 0.06 -0.27 0.00 0.05 0.00 0.00 55.36 55.29 2k52 s GLN 55 Cb -0.04 -3.52 -0.00 0.00 1.10 0.00 0.00 33.01 30.55 2k52 s GLN 55 CO 0.03 0.03 1.61 0.00 -0.55 0.00 0.00 175.29 176.41 2k52 s ALA 56 N 1.11 2.50 0.01 1.58 0.00 0.19 -0.72 121.76 126.43 2k52 s ALA 56 Ca 0.15 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 2k52 s ALA 56 Cb -0.14 -4.23 -0.04 0.00 0.00 0.00 0.00 23.12 18.71 2k52 s ALA 56 CO 0.06 -3.46 1.10 0.82 0.00 0.00 0.00 175.76 174.28 2k52 h ILE 57 N 6.55 0.00 -3.95 0.00 2.04 -0.70 0.41 117.51 121.86 2k52 h ILE 57 Ca -0.27 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.36 2k52 h ILE 57 Cb 1.12 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 36.98 2k52 h ILE 57 CO 1.21 0.00 -0.72 -1.81 0.00 0.00 0.00 178.15 176.84 2k52 s ASP 58 N -2.44 0.50 -0.19 1.72 1.01 -1.25 -2.77 116.67 113.24 2k52 s ASP 58 Ca -0.04 -0.46 -0.08 0.00 0.71 0.00 0.00 52.55 52.68 2k52 s ASP 58 Cb 0.00 0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.95 2k52 s ASP 58 CO 0.11 -0.22 0.07 -0.69 0.21 0.00 0.00 175.17 174.65 2k52 s VAL 59 N -1.25 4.79 -0.40 -1.27 1.01 -1.26 -2.84 120.40 119.17 2k52 s VAL 59 Ca -0.11 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2k52 s VAL 59 Cb -0.09 -3.17 0.11 0.00 0.00 0.00 0.00 36.38 33.23 2k52 s VAL 59 CO -0.00 0.44 0.15 -0.13 0.00 0.00 0.00 175.10 175.56 2k52 s ARG 60 N 0.51 1.78 0.49 2.72 0.52 -0.59 -4.93 118.95 119.44 2k52 s ARG 60 Ca 0.03 -1.98 0.26 0.00 -0.52 0.00 0.00 55.73 53.52 2k52 s ARG 60 Cb -0.13 -3.38 1.24 0.00 0.52 0.00 0.00 34.95 33.20 2k52 s ARG 60 CO 0.01 -1.02 1.97 -1.00 0.02 0.00 0.00 175.30 175.28 2k52 h PRO 61 N 7.60 0.00 -0.99 3.54 0.13 -1.95 0.56 132.00 140.89 2k52 h PRO 61 Ca -0.07 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.17 2k52 h PRO 61 Cb 1.01 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.06 2k52 h PRO 61 CO 0.61 0.17 0.62 1.05 -0.23 0.00 0.00 178.00 180.22 2k52 h GLU 62 N 0.00 0.95 0.00 0.86 4.11 -1.95 -3.11 114.58 115.44 2k52 h GLU 62 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2k52 h GLU 62 Cb 0.50 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k52 h GLU 62 CO 0.02 0.63 -0.50 1.63 0.07 0.00 0.00 179.01 180.87 2k52 n LYS 63 N -4.63 3.99 -3.51 1.06 4.76 -1.12 -5.00 118.16 113.71 2k52 n LYS 63 Ca 0.18 -0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.38 2k52 n LYS 63 Cb 0.34 -0.85 0.07 0.00 -1.84 0.00 0.00 35.03 32.75 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 -1.26 -7.46 -4.49 1.97 1.74 0.19 -5.03 116.66 102.32 2k52 n ARG 64 Ca 0.01 0.79 -0.24 0.00 -0.77 0.00 0.00 57.85 57.64 2k52 n ARG 64 Cb 0.10 -5.72 -0.13 0.00 -1.02 0.00 0.00 32.46 25.69 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 -6.22 1.25 -0.08 5.56 2.02 -0.87 -4.72 118.70 115.64 2k52 s GLU 65 Ca 0.55 -1.00 0.01 0.00 0.02 0.00 0.00 54.97 54.54 2k52 s GLU 65 Cb -0.24 -1.41 0.02 0.00 0.10 0.00 0.00 34.13 32.60 2k52 s GLU 65 CO 0.68 0.35 -0.09 0.42 0.02 0.00 0.00 175.26 176.64 2k52 s ILE 66 N -0.94 0.95 0.09 -1.63 1.01 -1.04 -1.54 121.20 118.11 2k52 s ILE 66 Ca 0.06 -0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.15 2k52 s ILE 66 Cb -0.09 -0.93 -0.07 0.00 0.01 0.00 0.00 42.46 41.38 2k52 s ILE 66 CO 0.03 0.33 0.74 -1.81 0.00 0.00 0.00 174.94 174.23 2k52 s ASP 67 N 1.14 7.25 0.25 3.58 1.01 -1.13 -0.25 116.67 128.51 2k52 s ASP 67 Ca -0.06 1.48 0.11 0.00 0.71 0.00 0.00 52.55 54.79 2k52 s ASP 67 Cb -0.14 -2.46 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2k52 s ASP 67 CO -0.01 0.12 -0.12 -0.36 0.21 0.00 0.00 175.17 175.01 2k52 s PHE 68 N -0.59 2.49 0.02 4.23 0.08 -0.02 0.04 117.98 124.24 2k52 s PHE 68 Ca 0.36 -0.28 0.04 0.00 0.12 0.00 0.00 56.93 57.17 2k52 s PHE 68 Cb -0.21 -1.13 -0.02 0.00 -0.57 0.00 0.00 43.02 41.10 2k52 s PHE 68 CO 0.23 0.63 -0.12 0.21 -0.10 0.00 0.00 175.22 176.07 2k52 s LYS 69 N -3.38 0.89 0.04 0.44 2.20 0.10 -3.55 119.74 116.49 2k52 s LYS 69 Ca 0.29 -0.58 -0.19 0.00 -0.36 0.00 0.00 55.97 55.12 2k52 s LYS 69 Cb -0.06 -0.87 -0.06 0.00 -1.51 0.00 0.00 37.83 35.33 2k52 s LYS 69 CO 0.16 0.22 0.56 -0.47 -0.36 0.00 0.00 175.35 175.47 2k52 s TYR 70 N -0.59 3.77 0.03 4.03 6.14 0.05 -0.38 117.35 130.38 2k52 s TYR 70 Ca 0.02 1.23 0.04 0.00 0.64 0.00 0.00 57.07 59.00 2k52 s TYR 70 Cb -0.06 -2.52 -0.02 0.00 0.42 0.00 0.00 41.96 39.79 2k52 s TYR 70 CO 0.00 0.52 -0.11 0.96 0.64 0.00 0.00 175.55 177.56 2k52 s ILE 71 N -0.83 0.89 -0.21 3.14 -4.36 -1.26 -4.18 121.20 114.38 2k52 s ILE 71 Ca 0.29 -0.81 -0.29 0.00 -0.26 0.00 0.00 60.65 59.58 2k52 s ILE 71 Cb -0.19 -0.81 -0.03 0.00 1.25 0.00 0.00 42.46 42.68 2k52 s ILE 71 CO 0.18 0.01 1.66 -2.84 0.24 0.00 0.00 174.94 174.18 2k52 s PRO 72 N -0.91 3.77 -0.01 0.37 0.02 -1.26 -4.95 135.00 132.04 2k52 s PRO 72 Ca 0.00 1.71 -0.30 0.00 0.02 0.00 0.00 61.00 62.44 2k52 s PRO 72 Cb -0.07 -4.06 -0.07 0.00 0.02 0.00 0.00 34.50 30.32 2k52 s PRO 72 CO 0.01 -1.32 1.82 -1.17 -0.33 0.00 0.00 177.00 176.00 2k52 s LEU 73 N 5.32 4.38 0.00 -5.54 2.96 -1.26 -5.18 118.68 119.36 2k52 s LEU 73 Ca 0.73 2.46 0.00 0.00 -0.22 0.00 0.00 54.13 57.11 2k52 s LEU 73 Cb -0.26 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.90 2k52 s LEU 73 CO 0.30 -0.99 0.40 -0.62 -1.32 0.00 0.00 176.35 174.12