#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 5.23 -0.01 6.12 2.15 -1.26 -4.83 116.67 124.07 2k52 s ASP 2 Ca 0.00 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 52.65 2k52 s ASP 2 Cb 0.00 -1.25 -0.04 0.00 -0.30 0.00 0.00 42.92 41.34 2k52 s ASP 2 CO 0.00 0.00 0.03 -0.69 -0.17 0.00 0.00 175.17 174.34 2k52 s VAL 3 N -2.07 4.37 0.02 1.11 1.01 -1.26 -5.12 120.40 118.46 2k52 s VAL 3 Ca 0.32 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2k52 s VAL 3 Cb -0.08 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 2k52 s VAL 3 CO 0.23 0.40 -0.08 -1.61 0.00 0.00 0.00 175.10 174.04 2k52 s GLU 4 N -1.52 2.45 0.32 2.72 2.02 -1.26 -5.02 118.70 118.42 2k52 s GLU 4 Ca 0.20 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 54.11 2k52 s GLU 4 Cb -0.12 -2.44 -0.10 0.00 0.10 0.00 0.00 34.13 31.57 2k52 s GLU 4 CO 0.10 0.58 1.35 -2.14 0.02 0.00 0.00 175.26 175.18 2k52 s PRO 5 N -1.51 4.31 0.00 0.39 0.02 -1.26 -3.15 135.00 133.79 2k52 s PRO 5 Ca 0.17 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.47 2k52 s PRO 5 Cb -0.11 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2k52 s PRO 5 CO 0.08 -0.27 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 2k52 n GLY 6 N 0.97 0.58 3.83 0.52 0.00 0.18 -5.02 105.19 106.25 2k52 n GLY 6 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.14 2.69 -0.14 1.61 -0.14 -1.19 -4.88 119.74 117.55 2k52 s LYS 7 Ca 0.00 -1.30 -0.19 0.00 -1.36 0.00 0.00 55.97 53.12 2k52 s LYS 7 Cb 0.00 -2.44 -0.04 0.00 -1.68 0.00 0.00 37.83 33.67 2k52 s LYS 7 CO 0.00 0.14 0.51 -0.06 -0.76 0.00 0.00 175.35 175.18 2k52 s PHE 8 N -2.30 3.47 0.11 3.18 0.40 -1.26 -1.50 117.98 120.07 2k52 s PHE 8 Ca 0.39 0.87 -0.03 0.00 -0.60 0.00 0.00 56.93 57.56 2k52 s PHE 8 Cb -0.06 -2.61 -0.03 0.00 0.51 0.00 0.00 43.02 40.83 2k52 s PHE 8 CO 0.26 0.07 0.09 0.71 0.70 0.00 0.00 175.22 177.04 2k52 s TYR 9 N 1.00 0.62 -0.12 0.36 2.02 -0.17 -4.98 117.35 116.08 2k52 s TYR 9 Ca 0.26 -1.04 0.03 0.00 -0.37 0.00 0.00 57.07 55.95 2k52 s TYR 9 Cb -0.15 -0.33 0.01 0.00 -0.40 0.00 0.00 41.96 41.08 2k52 s TYR 9 CO 0.10 -0.53 -0.22 0.21 -1.57 0.00 0.00 175.55 173.55 2k52 s LYS 10 N -3.98 2.89 0.29 -0.62 2.20 -1.26 -0.21 119.74 119.04 2k52 s LYS 10 Ca 0.17 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 54.99 2k52 s LYS 10 Cb 0.07 -2.28 -0.04 0.00 -1.51 0.00 0.00 37.83 34.07 2k52 s LYS 10 CO -0.03 0.06 0.16 0.20 -0.36 0.00 0.00 175.35 175.38 2k52 s GLY 11 N 0.64 1.95 -0.06 5.54 0.00 -0.41 -4.66 107.32 110.32 2k52 s GLY 11 Ca -0.12 -1.78 0.04 0.00 0.00 0.00 0.00 44.72 42.85 2k52 s GLY 11 CO 0.03 -1.55 -0.16 0.54 0.00 0.00 0.00 173.10 171.95 2k52 s VAL 12 N -3.69 2.87 0.06 1.40 0.11 -0.68 -0.21 120.40 120.26 2k52 s VAL 12 Ca 0.37 -0.78 -0.31 0.00 -2.93 0.00 0.00 61.98 58.33 2k52 s VAL 12 Cb 0.05 -2.12 -0.06 0.00 -1.53 0.00 0.00 36.38 32.72 2k52 s VAL 12 CO 0.17 0.58 1.32 -0.69 -3.33 0.00 0.00 175.10 173.15 2k52 s VAL 13 N -0.55 3.69 -0.18 2.04 1.01 -0.46 -1.97 120.40 123.98 2k52 s VAL 13 Ca 0.08 1.18 -0.15 0.00 0.00 0.00 0.00 61.98 63.08 2k52 s VAL 13 Cb -0.11 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 2k52 s VAL 13 CO 0.01 0.06 -0.32 0.35 0.00 0.00 0.00 175.10 175.21 2k52 n THR 14 N 4.15 1.45 -3.90 3.92 -2.24 0.22 -1.34 114.28 116.54 2k52 n THR 14 Ca 0.11 0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.80 2k52 n THR 14 Cb 0.44 -2.15 -0.12 0.00 -2.10 0.00 0.00 70.33 66.40 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 -2.72 0.19 -0.45 -0.78 1.70 -1.23 -4.78 118.95 110.88 2k52 s ARG 15 Ca -0.29 -0.23 -0.17 0.00 -0.47 0.00 0.00 55.73 54.57 2k52 s ARG 15 Cb 0.07 0.08 0.04 0.00 -0.57 0.00 0.00 34.95 34.56 2k52 s ARG 15 CO 0.41 -0.03 0.45 0.42 -1.08 0.00 0.00 175.30 175.46 2k52 s ILE 16 N -0.66 5.09 0.18 4.99 -1.09 -1.26 -1.57 121.20 126.88 2k52 s ILE 16 Ca -0.07 -0.56 -0.05 0.00 -2.23 0.00 0.00 60.65 57.74 2k52 s ILE 16 Cb -0.05 -4.10 -0.06 0.00 -1.58 0.00 0.00 42.46 36.68 2k52 s ILE 16 CO -0.00 -0.52 0.42 -1.61 -1.23 0.00 0.00 174.94 171.99 2k52 s GLU 17 N 2.09 3.62 0.10 2.79 0.41 0.19 -4.98 118.70 122.92 2k52 s GLU 17 Ca 0.10 -0.08 0.13 0.00 -0.41 0.00 0.00 54.97 54.71 2k52 s GLU 17 Cb -0.19 -2.80 0.59 0.00 -1.78 0.00 0.00 34.13 29.94 2k52 s GLU 17 CO 0.11 0.41 1.40 1.63 -0.49 0.00 0.00 175.26 178.33 2k52 n LYS 18 N -0.16 0.06 -0.03 1.61 5.02 -1.26 -1.21 118.16 122.19 2k52 n LYS 18 Ca -0.02 0.43 0.06 0.00 -2.02 0.00 0.00 58.31 56.75 2k52 n LYS 18 Cb 0.52 -1.65 0.07 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.77 0.08 0.00 2.13 4.11 -1.26 -5.00 117.16 115.45 2k52 n TYR 19 Ca 0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 57.90 57.83 2k52 n TYR 19 Cb 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.44 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 0.64 3.58 3.59 -7.48 0.00 -0.35 -4.44 105.19 100.73 2k52 n GLY 20 Ca 0.08 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 3.32 -0.05 4.61 0.00 0.11 -0.64 121.76 127.12 2k52 s ALA 21 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 2k52 s ALA 21 Cb 0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 2k52 s ALA 21 CO 0.00 0.08 1.15 -0.06 0.00 0.00 0.00 175.76 176.93 2k52 s PHE 22 N 0.56 3.32 -0.04 0.00 0.40 -0.61 -0.21 117.98 121.40 2k52 s PHE 22 Ca 0.02 1.34 0.05 0.00 -0.60 0.00 0.00 56.93 57.74 2k52 s PHE 22 Cb -0.13 -3.35 -0.01 0.00 0.51 0.00 0.00 43.02 40.04 2k52 s PHE 22 CO 0.01 -1.00 -0.19 0.42 0.70 0.00 0.00 175.22 175.16 2k52 s ILE 23 N 1.93 1.56 -0.22 0.64 1.01 -0.31 -0.61 121.20 125.20 2k52 s ILE 23 Ca 0.54 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 2k52 s ILE 23 Cb -0.24 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2k52 s ILE 23 CO 0.23 0.44 0.12 0.20 0.00 0.00 0.00 174.94 175.93 2k52 s ASN 24 N -0.09 5.86 0.17 3.58 0.01 -0.83 -0.08 114.94 123.56 2k52 s ASN 24 Ca -0.02 0.06 0.23 0.00 -0.71 0.00 0.00 52.86 52.43 2k52 s ASN 24 Cb -0.11 -2.04 0.13 0.00 0.41 0.00 0.00 41.25 39.64 2k52 s ASN 24 CO 0.02 0.08 1.15 -0.07 -1.51 0.00 0.00 177.10 176.78 2k52 h LEU 25 N 7.37 0.00 -7.15 0.60 3.38 -1.72 -1.80 115.31 115.99 2k52 h LEU 25 Ca -0.38 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.56 2k52 h LEU 25 Cb 1.17 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 2k52 h LEU 25 CO 0.66 0.05 0.39 0.21 0.09 0.00 0.00 178.44 179.84 2k52 s ASN 26 N -4.86 -0.40 0.37 -0.43 2.47 -1.21 -4.84 114.94 106.06 2k52 s ASN 26 Ca 0.02 -0.09 0.12 0.00 0.42 0.00 0.00 52.86 53.33 2k52 s ASN 26 Cb 0.11 0.49 0.91 0.00 -1.45 0.00 0.00 41.25 41.30 2k52 s ASN 26 CO 0.76 -0.81 1.85 -0.08 -3.72 0.00 0.00 177.10 175.11 2k52 h GLU 27 N 2.00 0.58 -0.70 0.43 4.81 -1.93 0.39 114.58 120.15 2k52 h GLU 27 Ca -0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2k52 h GLU 27 Cb 1.26 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2k52 h GLU 27 CO 0.32 0.38 0.00 1.04 -0.73 0.00 0.00 179.01 180.02 2k52 n GLN 28 N -4.57 2.91 -3.91 1.92 1.13 -1.26 -4.91 117.38 108.70 2k52 n GLN 28 Ca 0.19 -2.61 -0.26 0.00 -1.94 0.00 0.00 57.00 52.38 2k52 n GLN 28 Cb 0.57 -1.64 -0.17 0.00 0.11 0.00 0.00 30.24 29.11 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 -1.26 0.87 0.09 5.09 1.01 0.12 -5.10 120.40 121.22 2k52 s VAL 29 Ca 0.48 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.34 2k52 s VAL 29 Cb 0.27 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2k52 s VAL 29 CO 0.30 0.34 -0.20 -0.60 0.00 0.00 0.00 175.10 174.94 2k52 s ARG 30 N 1.71 1.15 0.00 2.72 3.52 -1.26 -2.29 118.95 124.50 2k52 s ARG 30 Ca 0.04 -1.09 0.00 0.00 -0.13 0.00 0.00 55.73 54.55 2k52 s ARG 30 Cb -0.13 -1.36 0.00 0.00 -1.56 0.00 0.00 34.95 31.90 2k52 s ARG 30 CO -0.07 0.32 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 2k52 n GLY 31 N 1.28 2.70 2.93 8.12 0.00 0.89 -4.25 105.19 116.87 2k52 n GLY 31 Ca -0.19 -1.21 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 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 1.69 -0.25 0.99 2.96 0.71 -1.16 118.68 123.61 2k52 s LEU 32 Ca 0.00 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 2k52 s LEU 32 Cb 0.00 -0.35 0.04 0.00 0.50 0.00 0.00 46.19 46.38 2k52 s LEU 32 CO 0.00 0.01 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.74 2k52 s LEU 33 N 0.33 3.29 0.09 -0.68 2.96 0.71 -0.18 118.68 125.20 2k52 s LEU 33 Ca -0.04 -1.09 -0.10 0.00 -0.22 0.00 0.00 54.13 52.68 2k52 s LEU 33 Cb -0.08 -1.62 -0.06 0.00 0.50 0.00 0.00 46.19 44.94 2k52 s LEU 33 CO -0.00 -0.16 0.42 -0.13 -1.32 0.00 0.00 176.35 175.16 2k52 s ARG 34 N 1.24 3.78 0.56 1.98 0.52 -1.26 0.08 118.95 125.84 2k52 s ARG 34 Ca -0.03 0.20 0.29 0.00 -0.52 0.00 0.00 55.73 55.67 2k52 s ARG 34 Cb -0.18 -2.98 1.64 0.00 0.52 0.00 0.00 34.95 33.96 2k52 s ARG 34 CO -0.05 0.54 2.16 -1.00 0.02 0.00 0.00 175.30 176.97 2k52 h PRO 35 N 3.64 0.00 0.00 3.54 0.13 -1.94 -0.51 132.00 136.86 2k52 h PRO 35 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.67 0.07 0.00 0.54 -0.23 0.00 0.00 178.00 179.04 2k52 n ARG 36 N -3.67 0.04 -0.22 0.86 1.74 -1.26 -2.18 116.66 111.98 2k52 n ARG 36 Ca -0.02 0.02 0.08 0.00 -0.77 0.00 0.00 57.85 57.17 2k52 n ARG 36 Cb 0.17 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.31 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 -1.48 3.21 -4.61 0.55 8.00 -0.21 -4.97 116.55 117.05 2k52 n ASP 37 Ca 0.07 -1.94 -0.35 0.00 0.71 0.00 0.00 54.79 53.28 2k52 n ASP 37 Cb 0.31 -0.28 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.08 3.95 0.00 -1.24 -1.94 -0.93 -0.84 119.30 117.22 2k52 s MET 38 Ca 0.32 -0.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 2k52 s MET 38 Cb 0.17 -3.29 0.00 0.00 2.01 0.00 0.00 34.83 33.73 2k52 s MET 38 CO 0.23 0.17 0.74 -0.89 -0.01 0.00 0.00 175.02 175.27 2k52 n ILE 39 N 3.87 0.00 -0.00 2.53 2.08 -1.26 -4.71 119.36 121.86 2k52 n ILE 39 Ca -0.16 1.23 -0.00 0.00 0.56 0.00 0.00 62.75 64.37 2k52 n ILE 39 Cb 0.52 -2.19 -0.01 0.00 -0.75 0.00 0.00 39.64 37.21 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 -1.73 4.67 -4.66 4.38 2.88 -1.26 -5.00 113.62 112.90 2k52 n SER 40 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2k52 n SER 40 Cb 0.00 0.72 -0.02 0.00 -0.75 0.00 0.00 64.21 64.16 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 -3.76 4.10 0.15 2.46 1.43 -1.26 -5.03 118.68 116.76 2k52 s LEU 41 Ca -0.01 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.54 2k52 s LEU 41 Cb 0.01 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 2k52 s LEU 41 CO 0.06 -0.74 0.29 -0.13 0.23 0.00 0.00 176.35 176.06 2k52 s ARG 42 N 3.39 3.45 0.55 1.70 1.81 -1.26 -4.80 118.95 123.80 2k52 s ARG 42 Ca 0.48 -0.54 0.26 0.00 -1.72 0.00 0.00 55.73 54.20 2k52 s ARG 42 Cb -0.17 -2.96 1.46 0.00 -0.45 0.00 0.00 34.95 32.83 2k52 s ARG 42 CO 0.11 0.51 2.02 -0.07 -0.68 0.00 0.00 175.30 177.19 2k52 h LEU 43 N 2.23 0.00 -2.28 2.53 3.38 -1.95 -0.20 115.31 119.02 2k52 h LEU 43 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2k52 h LEU 43 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2k52 h LEU 43 CO 0.69 0.00 -0.04 -0.33 0.09 0.00 0.00 178.44 178.86 2k52 h GLU 44 N 0.00 0.00 0.00 1.13 5.08 -1.99 -2.90 114.58 115.90 2k52 h GLU 44 Ca 0.19 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.34 2k52 h GLU 44 Cb 0.82 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2k52 h GLU 44 CO -0.00 0.04 -2.14 0.09 -1.00 0.00 0.00 179.01 175.99 2k52 n ASN 45 N -3.88 0.09 -4.68 1.42 3.02 -0.10 -4.94 115.26 106.19 2k52 n ASN 45 Ca -0.03 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 2k52 n ASN 45 Cb 0.12 1.29 -0.03 0.00 -0.61 0.00 0.00 39.78 40.56 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 -5.15 4.26 0.31 3.41 1.43 -1.10 -5.04 118.68 116.81 2k52 s LEU 46 Ca -0.09 1.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.89 2k52 s LEU 46 Cb 0.09 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 2k52 s LEU 46 CO 0.86 -0.62 0.27 0.20 0.23 0.00 0.00 176.35 177.29 2k52 s ASN 47 N 1.58 5.40 -0.19 2.29 0.02 -1.26 -4.98 114.94 117.80 2k52 s ASN 47 Ca 0.56 -0.40 -0.29 0.00 -1.02 0.00 0.00 52.86 51.71 2k52 s ASN 47 Cb -0.24 -1.13 -0.04 0.00 0.02 0.00 0.00 41.25 39.86 2k52 s ASN 47 CO 0.21 -0.25 1.75 -0.69 0.02 0.00 0.00 177.10 178.13 2k52 s VAL 48 N -2.24 3.51 0.00 1.60 1.01 -1.26 -2.62 120.40 120.40 2k52 s VAL 48 Ca 0.38 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2k52 s VAL 48 Cb -0.07 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2k52 s VAL 48 CO 0.26 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2k52 n GLY 49 N 4.80 1.08 3.68 4.51 0.00 -0.45 -5.00 105.19 113.81 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 -1.30 6.93 -0.59 1.61 1.01 -1.08 -4.76 116.67 118.50 2k52 s ASP 50 Ca 0.00 1.93 -0.22 0.00 0.71 0.00 0.00 52.55 54.97 2k52 s ASP 50 Cb 0.00 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.44 2k52 s ASP 50 CO 0.00 -0.69 0.84 -1.61 0.21 0.00 0.00 175.17 173.92 2k52 s GLU 51 N 2.66 3.15 -0.04 8.23 2.02 -1.26 -1.35 118.70 132.11 2k52 s GLU 51 Ca 0.60 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.79 2k52 s GLU 51 Cb -0.27 -4.17 -0.03 0.00 0.10 0.00 0.00 34.13 29.76 2k52 s GLU 51 CO 0.23 -1.57 -0.01 0.42 0.02 0.00 0.00 175.26 174.35 2k52 s ILE 52 N 3.50 4.12 -0.45 -1.63 1.01 0.71 -4.89 121.20 123.56 2k52 s ILE 52 Ca 0.21 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.14 2k52 s ILE 52 Cb -0.18 -2.78 0.03 0.00 0.01 0.00 0.00 42.46 39.54 2k52 s ILE 52 CO 0.12 0.48 0.81 -0.63 0.00 0.00 0.00 174.94 175.72 2k52 s ILE 53 N -0.98 4.61 0.11 2.92 1.01 -1.26 -1.29 121.20 126.32 2k52 s ILE 53 Ca 0.16 0.50 0.07 0.00 0.00 0.00 0.00 60.65 61.38 2k52 s ILE 53 Cb -0.11 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 2k52 s ILE 53 CO 0.06 -0.74 -0.16 0.68 0.00 0.00 0.00 174.94 174.78 2k52 s VAL 54 N 3.38 1.44 -0.22 2.92 -7.23 0.70 -4.20 120.40 117.19 2k52 s VAL 54 Ca 0.31 -1.60 -0.14 0.00 -1.81 0.00 0.00 61.98 58.75 2k52 s VAL 54 Cb -0.12 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 2k52 s VAL 54 CO 0.23 -0.27 0.30 -1.58 -0.31 0.00 0.00 175.10 173.48 2k52 s GLN 55 N -2.26 4.14 -0.76 4.82 0.74 0.20 -1.00 119.66 125.53 2k52 s GLN 55 Ca 0.06 0.01 -0.26 0.00 0.05 0.00 0.00 55.36 55.23 2k52 s GLN 55 Cb -0.08 -3.53 -0.00 0.00 1.10 0.00 0.00 33.01 30.50 2k52 s GLN 55 CO 0.04 0.01 1.65 0.00 -0.55 0.00 0.00 175.29 176.44 2k52 s ALA 56 N 1.18 2.32 0.01 1.58 0.00 -0.56 -0.95 121.76 125.33 2k52 s ALA 56 Ca 0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 2k52 s ALA 56 Cb -0.14 -4.37 -0.01 0.00 0.00 0.00 0.00 23.12 18.60 2k52 s ALA 56 CO 0.06 -3.85 1.05 0.82 0.00 0.00 0.00 175.76 173.84 2k52 h ILE 57 N 6.69 0.00 -3.37 0.00 2.04 0.10 0.50 117.51 123.47 2k52 h ILE 57 Ca -0.14 0.00 -0.53 0.00 1.00 0.00 0.00 64.86 65.19 2k52 h ILE 57 Cb 1.08 0.00 -0.34 0.00 -0.74 0.00 0.00 36.82 36.82 2k52 h ILE 57 CO 1.26 0.00 -0.82 -1.81 0.00 0.00 0.00 178.15 176.78 2k52 s ASP 58 N -2.45 1.95 -0.45 1.72 1.01 -1.24 -2.95 116.67 114.27 2k52 s ASP 58 Ca -0.02 -0.32 -0.13 0.00 0.71 0.00 0.00 52.55 52.79 2k52 s ASP 58 Cb 0.00 -0.88 0.07 0.00 1.01 0.00 0.00 42.92 43.12 2k52 s ASP 58 CO 0.05 0.02 0.33 -0.69 0.21 0.00 0.00 175.17 175.10 2k52 s VAL 59 N 0.80 4.83 -0.59 -1.27 1.01 -1.26 -1.49 120.40 122.43 2k52 s VAL 59 Ca -0.12 -1.17 -0.15 0.00 0.00 0.00 0.00 61.98 60.55 2k52 s VAL 59 Cb -0.15 -3.89 0.15 0.00 0.00 0.00 0.00 36.38 32.48 2k52 s VAL 59 CO 0.02 -0.53 0.53 -0.13 0.00 0.00 0.00 175.10 174.99 2k52 s ARG 60 N 1.56 3.04 0.10 2.72 0.52 -0.07 -4.93 118.95 121.90 2k52 s ARG 60 Ca 0.04 -1.87 -0.19 0.00 -0.52 0.00 0.00 55.73 53.18 2k52 s ARG 60 Cb -0.23 -4.27 -0.07 0.00 0.52 0.00 0.00 34.95 30.89 2k52 s ARG 60 CO 0.05 -1.30 1.67 -1.35 0.02 0.00 0.00 175.30 174.38 2k52 h PRO 61 N 8.60 0.32 -0.35 3.54 0.11 -1.96 0.56 132.00 142.82 2k52 h PRO 61 Ca -0.21 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.95 2k52 h PRO 61 Cb 1.08 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2k52 h PRO 61 CO 0.96 0.34 0.25 1.05 -0.21 0.00 0.00 178.00 180.39 2k52 h GLU 62 N 0.23 0.04 0.00 1.05 4.11 -1.97 -2.20 114.58 115.83 2k52 h GLU 62 Ca 0.08 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2k52 h GLU 62 Cb 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2k52 h GLU 62 CO -0.01 0.03 -0.66 1.63 0.07 0.00 0.00 179.01 180.07 2k52 n LYS 63 N -4.44 2.78 -3.60 1.06 4.76 -1.09 -5.01 118.16 112.62 2k52 n LYS 63 Ca 0.05 -0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.22 2k52 n LYS 63 Cb 0.40 -1.09 0.05 0.00 -1.84 0.00 0.00 35.03 32.55 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 -1.34 -6.26 -5.10 1.97 1.74 0.19 -5.00 116.66 102.85 2k52 n ARG 64 Ca 0.02 0.73 -0.32 0.00 -0.77 0.00 0.00 57.85 57.51 2k52 n ARG 64 Cb 0.20 -5.68 -0.16 0.00 -1.02 0.00 0.00 32.46 25.81 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 -6.31 2.82 -0.17 5.56 2.02 -0.97 -4.96 118.70 116.69 2k52 s GLU 65 Ca 0.56 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.73 2k52 s GLU 65 Cb -0.26 -2.32 0.03 0.00 0.10 0.00 0.00 34.13 31.67 2k52 s GLU 65 CO 0.69 0.34 -0.15 0.42 0.02 0.00 0.00 175.26 176.58 2k52 s ILE 66 N -0.04 1.74 0.03 -1.63 1.01 -1.26 -0.89 121.20 120.17 2k52 s ILE 66 Ca -0.06 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.55 2k52 s ILE 66 Cb -0.15 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 2k52 s ILE 66 CO 0.05 0.43 0.75 -1.81 0.00 0.00 0.00 174.94 174.36 2k52 s ASP 67 N 1.41 7.17 0.15 3.58 1.01 -0.56 -0.21 116.67 129.22 2k52 s ASP 67 Ca 0.04 1.40 0.08 0.00 0.71 0.00 0.00 52.55 54.78 2k52 s ASP 67 Cb -0.13 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2k52 s ASP 67 CO -0.11 0.01 -0.09 -0.36 0.21 0.00 0.00 175.17 174.83 2k52 s PHE 68 N 0.03 2.69 0.04 4.23 0.08 0.74 0.82 117.98 126.62 2k52 s PHE 68 Ca 0.38 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 57.27 2k52 s PHE 68 Cb -0.20 -1.35 -0.02 0.00 -0.57 0.00 0.00 43.02 40.88 2k52 s PHE 68 CO 0.22 0.48 -0.10 0.21 -0.10 0.00 0.00 175.22 175.93 2k52 s LYS 69 N -2.60 0.65 -0.18 0.44 2.20 -0.12 -4.16 119.74 115.96 2k52 s LYS 69 Ca 0.24 -0.75 -0.22 0.00 -0.36 0.00 0.00 55.97 54.87 2k52 s LYS 69 Cb -0.10 -0.53 -0.02 0.00 -1.51 0.00 0.00 37.83 35.67 2k52 s LYS 69 CO 0.15 0.12 0.68 -0.47 -0.36 0.00 0.00 175.35 175.47 2k52 s TYR 70 N -1.16 3.40 -0.20 4.03 6.14 -0.02 -0.63 117.35 128.91 2k52 s TYR 70 Ca -0.05 1.03 -0.06 0.00 0.64 0.00 0.00 57.07 58.63 2k52 s TYR 70 Cb -0.09 -2.85 -0.03 0.00 0.42 0.00 0.00 41.96 39.41 2k52 s TYR 70 CO 0.01 -0.17 0.03 0.96 0.64 0.00 0.00 175.55 177.01 2k52 s ILE 71 N 1.90 4.23 -1.08 3.14 -4.36 -1.26 -4.42 121.20 119.35 2k52 s ILE 71 Ca 0.32 -0.22 -0.24 0.00 -0.26 0.00 0.00 60.65 60.25 2k52 s ILE 71 Cb -0.16 -2.92 -0.08 0.00 1.25 0.00 0.00 42.46 40.55 2k52 s ILE 71 CO 0.11 0.42 1.96 -2.16 0.24 0.00 0.00 174.94 175.51 2k52 s PRO 72 N 0.90 2.44 -0.17 0.37 0.04 -1.26 -4.92 135.00 132.40 2k52 s PRO 72 Ca 0.02 -0.81 -0.29 0.00 0.04 0.00 0.00 61.00 59.96 2k52 s PRO 72 Cb -0.14 -5.16 -0.06 0.00 0.04 0.00 0.00 34.50 29.17 2k52 s PRO 72 CO 0.02 -3.85 2.17 1.47 0.04 0.00 0.00 177.00 176.85 2k52 n LEU 73 N 14.55 3.39 0.00 -3.56 -0.00 -1.26 -5.27 117.00 124.85 2k52 n LEU 73 Ca 0.43 0.37 0.14 0.00 -0.00 0.00 0.00 56.01 56.96 2k52 n LEU 73 Cb 0.47 -1.53 0.86 0.00 -0.00 0.00 0.00 43.42 43.21 2k52 n LEU 73 CO 0.64 -0.50 1.03 -1.84 -0.00 0.00 0.00 177.39 176.72