#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 6.19 -0.11 6.12 2.15 -1.26 -4.76 116.67 125.01 2k52 s ASP 2 Ca 0.00 0.41 0.01 0.00 0.43 0.00 0.00 52.55 53.40 2k52 s ASP 2 Cb 0.00 -1.91 0.02 0.00 -0.30 0.00 0.00 42.92 40.73 2k52 s ASP 2 CO 0.00 -0.39 -0.11 -0.69 -0.17 0.00 0.00 175.17 173.81 2k52 s VAL 3 N -2.37 1.22 0.35 1.11 1.01 -1.26 -5.14 120.40 115.32 2k52 s VAL 3 Ca 0.42 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 2k52 s VAL 3 Cb -0.10 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2k52 s VAL 3 CO 0.36 0.39 0.65 -1.61 0.00 0.00 0.00 175.10 174.89 2k52 s GLU 4 N 1.31 3.66 0.04 2.72 2.02 -1.26 -4.98 118.70 122.21 2k52 s GLU 4 Ca -0.02 0.16 -0.30 0.00 0.02 0.00 0.00 54.97 54.83 2k52 s GLU 4 Cb -0.14 -2.54 -0.08 0.00 0.10 0.00 0.00 34.13 31.48 2k52 s GLU 4 CO -0.05 0.09 1.64 -2.14 0.02 0.00 0.00 175.26 174.82 2k52 s PRO 5 N -3.81 4.20 0.00 0.39 0.02 -1.26 -2.77 135.00 131.77 2k52 s PRO 5 Ca 0.46 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.76 2k52 s PRO 5 Cb -0.10 -3.68 0.00 0.00 0.02 0.00 0.00 34.50 30.73 2k52 s PRO 5 CO 0.32 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 2k52 n GLY 6 N 4.00 0.91 3.94 0.52 0.00 0.26 -4.95 105.19 109.86 2k52 n GLY 6 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.91 3.50 -0.24 1.61 -0.14 -1.12 -4.83 119.74 117.61 2k52 s LYS 7 Ca 0.00 -0.26 -0.09 0.00 -1.36 0.00 0.00 55.97 54.27 2k52 s LYS 7 Cb 0.00 -2.63 -0.04 0.00 -1.68 0.00 0.00 37.83 33.48 2k52 s LYS 7 CO 0.00 0.12 0.11 -0.06 -0.76 0.00 0.00 175.35 174.76 2k52 s PHE 8 N -2.34 3.18 0.01 3.18 0.40 -1.26 -0.69 117.98 120.46 2k52 s PHE 8 Ca 0.41 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.50 2k52 s PHE 8 Cb -0.10 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.20 2k52 s PHE 8 CO 0.36 -0.16 0.26 0.71 0.70 0.00 0.00 175.22 177.09 2k52 s TYR 9 N 1.34 -0.09 -0.14 0.36 2.02 -0.68 -5.01 117.35 115.15 2k52 s TYR 9 Ca 0.06 0.06 -0.17 0.00 -0.37 0.00 0.00 57.07 56.64 2k52 s TYR 9 Cb -0.15 0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 2k52 s TYR 9 CO 0.05 -0.39 0.44 0.21 -1.57 0.00 0.00 175.55 174.29 2k52 s LYS 10 N -1.71 4.29 0.23 -0.62 2.20 -1.26 -1.49 119.74 121.38 2k52 s LYS 10 Ca -0.11 0.35 0.05 0.00 -0.36 0.00 0.00 55.97 55.90 2k52 s LYS 10 Cb -0.04 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 2k52 s LYS 10 CO 0.01 0.12 -0.03 0.20 -0.36 0.00 0.00 175.35 175.29 2k52 s GLY 11 N 0.69 1.56 -0.11 5.54 0.00 -0.17 -4.72 107.32 110.10 2k52 s GLY 11 Ca 0.23 -1.76 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 2k52 s GLY 11 CO 0.09 -1.70 -0.06 0.54 0.00 0.00 0.00 173.10 171.97 2k52 s VAL 12 N -3.29 3.74 -0.29 1.40 0.11 -0.69 -0.06 120.40 121.32 2k52 s VAL 12 Ca 0.27 -0.44 -0.29 0.00 -2.93 0.00 0.00 61.98 58.59 2k52 s VAL 12 Cb 0.05 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.31 2k52 s VAL 12 CO 0.08 0.54 1.39 -0.69 -3.33 0.00 0.00 175.10 173.10 2k52 s VAL 13 N -0.17 4.01 0.01 2.04 1.01 -0.24 -1.45 120.40 125.61 2k52 s VAL 13 Ca 0.02 1.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.95 2k52 s VAL 13 Cb -0.13 -4.04 -0.31 0.00 0.00 0.00 0.00 36.38 31.90 2k52 s VAL 13 CO 0.03 -0.44 1.01 0.71 0.00 0.00 0.00 175.10 176.40 2k52 h THR 14 N 6.04 1.37 -2.64 3.92 1.35 -1.37 0.80 112.91 122.39 2k52 h THR 14 Ca -0.28 -2.50 -0.07 0.00 -0.55 0.00 0.00 66.41 63.01 2k52 h THR 14 Cb 1.11 2.94 -0.17 0.00 -1.73 0.00 0.00 68.15 70.30 2k52 h THR 14 CO 1.03 0.74 0.03 0.00 -0.25 0.00 0.00 175.52 177.07 2k52 s ARG 15 N -2.74 0.99 -0.25 4.72 1.70 -1.25 -4.72 118.95 117.41 2k52 s ARG 15 Ca -0.11 -0.12 -0.12 0.00 -0.47 0.00 0.00 55.73 54.90 2k52 s ARG 15 Cb 0.03 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.82 2k52 s ARG 15 CO 0.89 -0.34 0.25 0.42 -1.08 0.00 0.00 175.30 175.44 2k52 s ILE 16 N -2.04 5.28 0.18 4.99 -1.09 -1.26 -2.75 121.20 124.51 2k52 s ILE 16 Ca -0.08 0.33 0.09 0.00 -2.23 0.00 0.00 60.65 58.76 2k52 s ILE 16 Cb -0.01 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 2k52 s ILE 16 CO 0.02 0.27 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.29 2k52 s GLU 17 N 1.51 2.07 0.00 2.79 0.41 0.11 -5.01 118.70 120.58 2k52 s GLU 17 Ca 0.11 -1.25 0.16 0.00 -0.41 0.00 0.00 54.97 53.57 2k52 s GLU 17 Cb -0.15 -2.17 0.84 0.00 -1.78 0.00 0.00 34.13 30.87 2k52 s GLU 17 CO 0.08 0.44 1.41 1.63 -0.49 0.00 0.00 175.26 178.33 2k52 n LYS 18 N 0.07 0.31 -0.02 1.61 5.02 -1.26 -1.88 118.16 122.01 2k52 n LYS 18 Ca -0.11 0.09 0.02 0.00 -2.02 0.00 0.00 58.31 56.29 2k52 n LYS 18 Cb 0.55 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.19 0.00 -0.68 2.13 4.11 -1.26 -5.07 117.16 115.20 2k52 n TYR 19 Ca 0.09 -0.52 0.00 0.00 -0.00 0.00 0.00 57.90 57.47 2k52 n TYR 19 Cb 0.10 -0.06 0.00 0.00 -0.00 0.00 0.00 39.34 39.38 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 -0.59 0.62 2.93 -7.48 0.00 -0.79 -4.60 105.19 95.29 2k52 n GLY 20 Ca 0.02 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 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 1.06 -0.42 4.61 0.00 0.48 0.09 121.76 126.59 2k52 s ALA 21 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 2k52 s ALA 21 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.51 2k52 s ALA 21 CO 0.00 -0.11 1.27 -0.06 0.00 0.00 0.00 175.76 176.86 2k52 s PHE 22 N 1.12 2.65 -0.12 0.00 0.08 -1.11 -0.68 117.98 119.92 2k52 s PHE 22 Ca -0.07 0.75 -0.01 0.00 0.12 0.00 0.00 56.93 57.72 2k52 s PHE 22 Cb -0.14 -4.26 -0.02 0.00 -0.57 0.00 0.00 43.02 38.02 2k52 s PHE 22 CO -0.01 -1.58 -0.08 0.42 -0.10 0.00 0.00 175.22 173.87 2k52 s ILE 23 N 4.78 3.55 -0.32 0.64 1.01 -0.32 -0.91 121.20 129.63 2k52 s ILE 23 Ca 0.54 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 2k52 s ILE 23 Cb -0.11 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 2k52 s ILE 23 CO 0.30 0.53 0.29 0.20 0.00 0.00 0.00 174.94 176.26 2k52 s ASN 24 N 0.04 6.12 0.15 3.58 0.01 -0.53 -1.10 114.94 123.21 2k52 s ASN 24 Ca -0.02 -0.21 0.08 0.00 -0.71 0.00 0.00 52.86 52.00 2k52 s ASN 24 Cb -0.14 -2.16 -0.08 0.00 0.41 0.00 0.00 41.25 39.27 2k52 s ASN 24 CO 0.03 -0.24 1.35 -0.07 -1.51 0.00 0.00 177.10 176.67 2k52 h LEU 25 N 8.57 0.01 -7.77 0.60 3.38 -1.53 -1.83 115.31 116.75 2k52 h LEU 25 Ca -0.31 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 2k52 h LEU 25 Cb 1.16 -0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 2k52 h LEU 25 CO 0.64 0.92 -0.27 0.21 0.09 0.00 0.00 178.44 180.03 2k52 s ASN 26 N -6.75 -0.00 0.47 -0.43 2.47 -1.11 -4.86 114.94 104.73 2k52 s ASN 26 Ca 0.00 -0.61 0.22 0.00 0.42 0.00 0.00 52.86 52.89 2k52 s ASN 26 Cb 0.11 0.41 1.22 0.00 -1.45 0.00 0.00 41.25 41.53 2k52 s ASN 26 CO 0.81 -0.81 1.91 -0.08 -3.72 0.00 0.00 177.10 175.20 2k52 h GLU 27 N 2.58 0.24 -0.25 0.43 4.81 -1.92 0.00 114.58 120.48 2k52 h GLU 27 Ca -0.33 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2k52 h GLU 27 Cb 1.22 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2k52 h GLU 27 CO 0.51 0.16 -0.00 1.04 -0.73 0.00 0.00 179.01 179.99 2k52 n GLN 28 N -4.43 2.81 -3.70 1.92 1.13 -1.26 -4.89 117.38 108.96 2k52 n GLN 28 Ca 0.16 -2.84 -0.29 0.00 -1.94 0.00 0.00 57.00 52.09 2k52 n GLN 28 Cb 0.70 -1.83 -0.16 0.00 0.11 0.00 0.00 30.24 29.06 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 -2.85 0.57 0.05 5.09 1.01 -0.01 -5.09 120.40 119.18 2k52 s VAL 29 Ca 0.42 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.51 2k52 s VAL 29 Cb 0.34 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2k52 s VAL 29 CO 0.08 -0.51 -0.21 -0.60 0.00 0.00 0.00 175.10 173.86 2k52 s ARG 30 N 1.80 1.37 0.14 2.72 3.52 -1.26 -1.42 118.95 125.82 2k52 s ARG 30 Ca 0.06 -0.99 -0.01 0.00 -0.13 0.00 0.00 55.73 54.65 2k52 s ARG 30 Cb -0.17 -1.52 0.00 0.00 -1.56 0.00 0.00 34.95 31.70 2k52 s ARG 30 CO -0.21 0.38 0.20 0.41 -0.81 0.00 0.00 175.30 175.27 2k52 n GLY 31 N 1.71 2.72 3.05 8.12 0.00 -0.26 -3.20 105.19 117.33 2k52 n GLY 31 Ca -0.18 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 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 1.73 -0.37 0.99 2.96 0.16 -1.18 118.68 122.97 2k52 s LEU 32 Ca 0.12 -0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 53.40 2k52 s LEU 32 Cb -0.00 -1.15 0.00 0.00 0.50 0.00 0.00 46.19 45.54 2k52 s LEU 32 CO 0.08 -0.01 0.42 -0.22 -1.32 0.00 0.00 176.35 175.30 2k52 s LEU 33 N 1.20 4.56 0.15 -0.68 2.96 0.15 -2.43 118.68 124.59 2k52 s LEU 33 Ca -0.01 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 2k52 s LEU 33 Cb -0.14 -2.40 -0.06 0.00 0.50 0.00 0.00 46.19 44.08 2k52 s LEU 33 CO -0.06 -0.45 0.47 -0.13 -1.32 0.00 0.00 176.35 174.86 2k52 s ARG 34 N 2.14 3.78 0.43 1.98 0.52 -1.26 -0.39 118.95 126.15 2k52 s ARG 34 Ca 0.13 0.21 0.10 0.00 -0.52 0.00 0.00 55.73 55.65 2k52 s ARG 34 Cb -0.16 -2.84 0.93 0.00 0.52 0.00 0.00 34.95 33.40 2k52 s ARG 34 CO 0.13 0.45 2.03 -1.00 0.02 0.00 0.00 175.30 176.92 2k52 h PRO 35 N 3.13 0.29 0.00 3.54 0.13 -1.96 -1.89 132.00 135.25 2k52 h PRO 35 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2k52 h PRO 35 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2k52 h PRO 35 CO 0.68 0.28 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 2k52 h ARG 36 N 0.29 0.00 -0.35 0.86 3.08 -1.96 -2.53 114.38 113.78 2k52 h ARG 36 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2k52 h ARG 36 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2k52 h ARG 36 CO -0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 2k52 n ASP 37 N -2.58 2.77 -4.92 7.04 9.92 -0.71 -4.95 116.55 123.13 2k52 n ASP 37 Ca 0.03 -1.91 -0.28 0.00 -0.53 0.00 0.00 54.79 52.10 2k52 n ASP 37 Cb 0.36 -0.23 -0.04 0.00 -0.64 0.00 0.00 41.12 40.58 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 -1.55 3.53 0.00 -1.24 -1.94 -0.95 -1.32 119.30 115.83 2k52 s MET 38 Ca 0.36 -0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.04 2k52 s MET 38 Cb 0.20 -2.86 0.00 0.00 2.01 0.00 0.00 34.83 34.18 2k52 s MET 38 CO 0.29 0.43 0.00 -0.89 -0.01 0.00 0.00 175.02 174.84 2k52 n ILE 39 N -0.43 0.00 -0.09 2.53 2.08 -1.26 -4.94 119.36 117.26 2k52 n ILE 39 Ca -0.04 0.18 -0.17 0.00 0.56 0.00 0.00 62.75 63.28 2k52 n ILE 39 Cb 0.53 -1.10 -0.10 0.00 -0.75 0.00 0.00 39.64 38.22 2k52 n ILE 39 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 2k52 h SER 40 N 0.00 0.00 -3.29 4.38 4.64 -1.97 -3.46 113.55 113.84 2k52 h SER 40 Ca 0.00 -0.55 -0.55 0.00 -0.47 0.00 0.00 61.79 60.22 2k52 h SER 40 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2k52 h SER 40 CO 0.00 1.24 0.52 -0.76 -0.87 0.00 0.00 176.83 176.95 2k52 s LEU 41 N -8.03 4.29 0.25 5.97 1.43 -1.26 -5.06 118.68 116.27 2k52 s LEU 41 Ca -0.23 1.61 0.06 0.00 -1.03 0.00 0.00 54.13 54.53 2k52 s LEU 41 Cb 0.03 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 2k52 s LEU 41 CO 0.54 -0.40 0.28 -0.13 0.23 0.00 0.00 176.35 176.88 2k52 s ARG 42 N 1.69 3.18 0.48 1.70 1.81 -1.26 -4.78 118.95 121.77 2k52 s ARG 42 Ca 0.50 -0.91 0.23 0.00 -1.72 0.00 0.00 55.73 53.83 2k52 s ARG 42 Cb -0.20 -2.73 1.27 0.00 -0.45 0.00 0.00 34.95 32.84 2k52 s ARG 42 CO 0.22 0.40 1.93 -0.07 -0.68 0.00 0.00 175.30 177.10 2k52 h LEU 43 N 1.32 0.18 -2.60 2.53 3.38 -1.94 -0.20 115.31 117.97 2k52 h LEU 43 Ca -0.50 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2k52 h LEU 43 Cb 1.23 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2k52 h LEU 43 CO 0.61 0.08 0.01 -0.33 0.09 0.00 0.00 178.44 178.90 2k52 h GLU 44 N 0.19 0.00 -0.05 1.13 5.08 -1.99 -1.76 114.58 117.17 2k52 h GLU 44 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2k52 h GLU 44 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2k52 h GLU 44 CO -0.07 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.03 2k52 n ASN 45 N -3.64 2.49 -4.84 1.42 3.02 -0.10 -4.98 115.26 108.64 2k52 n ASN 45 Ca -0.03 -1.73 -0.37 0.00 -0.03 0.00 0.00 54.58 52.41 2k52 n ASN 45 Cb 0.09 -0.02 -0.06 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 -1.41 4.42 0.24 3.41 1.43 -0.66 -4.99 118.68 121.12 2k52 s LEU 46 Ca 0.21 0.73 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 2k52 s LEU 46 Cb 0.15 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 2k52 s LEU 46 CO 0.22 0.32 -0.07 0.20 0.23 0.00 0.00 176.35 177.25 2k52 s ASN 47 N -0.86 2.45 -0.26 2.29 0.01 -1.26 -4.97 114.94 112.34 2k52 s ASN 47 Ca 0.20 -1.14 -0.29 0.00 -0.71 0.00 0.00 52.86 50.92 2k52 s ASN 47 Cb -0.15 -0.11 -0.02 0.00 0.41 0.00 0.00 41.25 41.38 2k52 s ASN 47 CO 0.09 -0.33 1.68 -0.69 -1.51 0.00 0.00 177.10 176.33 2k52 s VAL 48 N -3.11 3.61 0.00 1.60 1.01 -1.26 -2.64 120.40 119.62 2k52 s VAL 48 Ca 0.27 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2k52 s VAL 48 Cb 0.03 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2k52 s VAL 48 CO 0.09 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.46 2k52 n GLY 49 N 4.92 1.69 3.68 4.51 0.00 0.28 -5.03 105.19 115.24 2k52 n GLY 49 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.92 6.58 -0.51 1.61 1.01 -1.08 -4.64 116.67 117.72 2k52 s ASP 50 Ca 0.00 2.49 -0.23 0.00 0.71 0.00 0.00 52.55 55.53 2k52 s ASP 50 Cb 0.00 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.41 2k52 s ASP 50 CO 0.00 -0.92 0.82 -1.61 0.21 0.00 0.00 175.17 173.67 2k52 s GLU 51 N 3.04 3.31 -0.04 8.23 2.02 -1.26 -1.08 118.70 132.91 2k52 s GLU 51 Ca 0.76 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 55.43 2k52 s GLU 51 Cb -0.40 -4.02 -0.03 0.00 0.10 0.00 0.00 34.13 29.78 2k52 s GLU 51 CO 0.33 -1.30 -0.07 0.42 0.02 0.00 0.00 175.26 174.66 2k52 s ILE 52 N 3.44 3.67 -0.49 -1.63 1.01 0.91 -4.89 121.20 123.21 2k52 s ILE 52 Ca 0.27 -0.58 -0.26 0.00 0.00 0.00 0.00 60.65 60.08 2k52 s ILE 52 Cb -0.14 -2.53 0.03 0.00 0.01 0.00 0.00 42.46 39.84 2k52 s ILE 52 CO 0.19 0.53 0.99 -0.63 0.00 0.00 0.00 174.94 176.02 2k52 s ILE 53 N -0.87 4.37 0.34 2.92 1.01 -1.26 -1.00 121.20 126.72 2k52 s ILE 53 Ca 0.14 0.76 0.04 0.00 0.00 0.00 0.00 60.65 61.59 2k52 s ILE 53 Cb -0.11 -4.51 -0.06 0.00 0.01 0.00 0.00 42.46 37.79 2k52 s ILE 53 CO 0.03 -0.96 0.06 0.68 0.00 0.00 0.00 174.94 174.75 2k52 s VAL 54 N 4.02 1.25 -0.12 2.92 -7.23 -0.56 -4.47 120.40 116.21 2k52 s VAL 54 Ca 0.38 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 2k52 s VAL 54 Cb -0.10 -2.78 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 2k52 s VAL 54 CO 0.26 0.00 -0.19 -1.58 -0.31 0.00 0.00 175.10 173.28 2k52 s GLN 55 N -3.86 3.17 -0.52 4.82 0.74 -0.29 -1.68 119.66 122.03 2k52 s GLN 55 Ca 0.35 -0.80 -0.28 0.00 0.05 0.00 0.00 55.36 54.69 2k52 s GLN 55 Cb 0.08 -2.47 -0.00 0.00 1.10 0.00 0.00 33.01 31.72 2k52 s GLN 55 CO 0.16 0.13 1.60 0.00 -0.55 0.00 0.00 175.29 176.62 2k52 s ALA 56 N 0.50 2.68 0.00 1.58 0.00 0.14 -0.76 121.76 125.89 2k52 s ALA 56 Ca -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2k52 s ALA 56 Cb -0.17 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.83 2k52 s ALA 56 CO 0.05 -3.08 0.94 -0.89 0.00 0.00 0.00 175.76 172.78 2k52 n ILE 57 N 7.07 0.00 -4.19 0.00 5.41 0.25 0.90 119.36 128.80 2k52 n ILE 57 Ca 0.17 1.44 -0.16 0.00 1.00 0.00 0.00 62.75 65.20 2k52 n ILE 57 Cb 0.49 -2.44 -0.13 0.00 -0.71 0.00 0.00 39.64 36.85 2k52 n ILE 57 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2k52 s ASP 58 N -2.01 1.07 -0.21 4.38 1.01 -1.22 -2.16 116.67 117.53 2k52 s ASP 58 Ca 0.00 -0.39 -0.05 0.00 0.71 0.00 0.00 52.55 52.82 2k52 s ASP 58 Cb 0.00 -0.04 -0.02 0.00 1.01 0.00 0.00 42.92 43.87 2k52 s ASP 58 CO 0.00 -0.05 -0.01 -0.69 0.21 0.00 0.00 175.17 174.63 2k52 s VAL 59 N -0.85 3.75 -0.59 -1.27 1.01 -1.26 -0.78 120.40 120.40 2k52 s VAL 59 Ca -0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 2k52 s VAL 59 Cb -0.07 -2.70 0.15 0.00 0.00 0.00 0.00 36.38 33.75 2k52 s VAL 59 CO 0.01 0.42 0.53 -0.13 0.00 0.00 0.00 175.10 175.93 2k52 s ARG 60 N 1.23 3.05 0.42 2.72 0.52 -0.48 -4.93 118.95 121.48 2k52 s ARG 60 Ca 0.03 -1.85 0.08 0.00 -0.52 0.00 0.00 55.73 53.47 2k52 s ARG 60 Cb -0.15 -4.29 0.89 0.00 0.52 0.00 0.00 34.95 31.93 2k52 s ARG 60 CO 0.00 -1.31 2.05 -1.35 0.02 0.00 0.00 175.30 174.72 2k52 h PRO 61 N 8.64 0.46 -0.87 3.54 0.11 -1.95 0.62 132.00 142.55 2k52 h PRO 61 Ca -0.22 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.88 2k52 h PRO 61 Cb 1.09 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 2k52 h PRO 61 CO 0.97 0.33 0.57 1.05 -0.21 0.00 0.00 178.00 180.71 2k52 h GLU 62 N 0.47 1.08 0.00 1.05 4.11 -1.96 -3.23 114.58 116.10 2k52 h GLU 62 Ca 0.12 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2k52 h GLU 62 Cb -0.01 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.99 2k52 h GLU 62 CO -0.02 0.71 -1.25 1.63 0.07 0.00 0.00 179.01 180.15 2k52 n LYS 63 N -4.53 1.13 -1.20 1.06 4.76 -0.85 -4.97 118.16 113.56 2k52 n LYS 63 Ca 0.11 -0.08 -0.07 0.00 -2.87 0.00 0.00 58.31 55.40 2k52 n LYS 63 Cb 0.07 -1.32 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 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 -1.72 -1.22 -4.03 1.97 1.74 0.21 -5.00 116.66 108.61 2k52 n ARG 64 Ca -0.00 0.67 -0.36 0.00 -0.77 0.00 0.00 57.85 57.39 2k52 n ARG 64 Cb 0.34 -4.76 -0.08 0.00 -1.02 0.00 0.00 32.46 26.94 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 -2.28 3.46 -0.11 5.56 2.02 -1.18 -4.71 118.70 121.45 2k52 s GLU 65 Ca 0.00 -0.25 -0.00 0.00 0.02 0.00 0.00 54.97 54.73 2k52 s GLU 65 Cb 0.00 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 2k52 s GLU 65 CO 0.00 0.63 -0.10 0.42 0.02 0.00 0.00 175.26 176.24 2k52 s ILE 66 N -0.64 3.39 -0.11 -1.63 1.01 -1.19 -1.38 121.20 120.63 2k52 s ILE 66 Ca 0.12 -0.56 -0.24 0.00 0.00 0.00 0.00 60.65 59.97 2k52 s ILE 66 Cb -0.12 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 2k52 s ILE 66 CO 0.02 0.54 0.77 -1.81 0.00 0.00 0.00 174.94 174.46 2k52 s ASP 67 N 0.00 6.98 0.15 3.58 1.01 0.04 -0.67 116.67 127.75 2k52 s ASP 67 Ca -0.02 1.19 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 0.04 -0.26 0.00 -0.36 0.21 0.00 0.00 175.17 174.80 2k52 s PHE 68 N 1.47 2.90 0.02 4.23 0.08 -1.02 0.87 117.98 126.53 2k52 s PHE 68 Ca 0.38 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 57.36 2k52 s PHE 68 Cb -0.17 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2k52 s PHE 68 CO 0.16 0.50 -0.08 0.21 -0.10 0.00 0.00 175.22 175.91 2k52 s LYS 69 N -2.73 0.54 -0.01 0.44 2.20 0.06 -4.35 119.74 115.90 2k52 s LYS 69 Ca 0.27 -0.52 -0.20 0.00 -0.36 0.00 0.00 55.97 55.16 2k52 s LYS 69 Cb -0.10 -0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 35.73 2k52 s LYS 69 CO 0.19 0.10 0.59 -0.47 -0.36 0.00 0.00 175.35 175.39 2k52 s TYR 70 N -0.78 3.68 -0.01 4.03 5.04 -0.44 -1.14 117.35 127.74 2k52 s TYR 70 Ca -0.03 1.19 0.03 0.00 -2.44 0.00 0.00 57.07 55.81 2k52 s TYR 70 Cb -0.06 -2.59 -0.01 0.00 0.35 0.00 0.00 41.96 39.64 2k52 s TYR 70 CO 0.00 0.36 -0.09 0.96 -1.34 0.00 0.00 175.55 175.44 2k52 s ILE 71 N -0.22 0.74 0.29 3.14 -4.36 -1.26 -4.38 121.20 115.14 2k52 s ILE 71 Ca 0.31 -0.42 -0.28 0.00 -0.26 0.00 0.00 60.65 60.00 2k52 s ILE 71 Cb -0.18 -0.62 -0.09 0.00 1.25 0.00 0.00 42.46 42.81 2k52 s ILE 71 CO 0.17 0.19 0.99 -2.16 0.24 0.00 0.00 174.94 174.38 2k52 s PRO 72 N -0.26 4.65 -0.06 0.37 0.04 -1.26 -4.96 135.00 133.52 2k52 s PRO 72 Ca 0.03 1.53 0.03 0.00 0.04 0.00 0.00 61.00 62.64 2k52 s PRO 72 Cb -0.04 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2k52 s PRO 72 CO -0.00 0.30 -0.16 -1.17 0.04 0.00 0.00 177.00 176.00 2k52 s LEU 73 N -1.66 1.83 0.00 -3.56 0.20 -1.26 -5.24 118.68 109.00 2k52 s LEU 73 Ca 0.46 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.93 2k52 s LEU 73 Cb -0.25 -0.96 0.00 0.00 -0.43 0.00 0.00 46.19 44.55 2k52 s LEU 73 CO 0.32 0.11 0.20 -1.84 -0.29 0.00 0.00 176.35 174.84