#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k28 s SER 2 N 0.00 -0.28 -0.23 1.61 1.04 -1.26 -5.14 113.70 109.44 2k28 s SER 2 Ca 0.00 0.54 -0.29 0.00 0.48 0.00 0.00 55.95 56.68 2k28 s SER 2 Cb 0.00 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 2k28 s SER 2 CO 0.00 -0.13 1.26 -1.83 0.98 0.00 0.00 173.24 173.52 2k28 s GLU 3 N 0.73 4.09 -0.83 4.02 -1.05 -1.26 -4.99 118.70 119.41 2k28 s GLU 3 Ca -0.05 1.44 -0.14 0.00 -0.15 0.00 0.00 54.97 56.07 2k28 s GLU 3 Cb -0.06 -3.81 0.21 0.00 -0.44 0.00 0.00 34.13 30.04 2k28 s GLU 3 CO -0.05 -0.89 0.78 -1.01 0.95 0.00 0.00 175.26 175.05 2k28 s HIS 4 N 3.87 3.72 -0.36 4.83 3.76 -1.26 -5.04 115.29 124.82 2k28 s HIS 4 Ca 0.54 -1.95 -0.24 0.00 -0.15 0.00 0.00 55.06 53.26 2k28 s HIS 4 Cb -0.19 -3.84 0.01 0.00 1.11 0.00 0.00 32.58 29.67 2k28 s HIS 4 CO 0.18 -1.02 0.84 0.08 -0.85 0.00 0.00 174.74 173.97 2k28 s VAL 5 N 0.32 4.68 -0.46 -0.90 1.01 -1.26 -5.02 120.40 118.77 2k28 s VAL 5 Ca 0.18 1.04 -0.09 0.00 0.00 0.00 0.00 61.98 63.12 2k28 s VAL 5 Cb -0.10 -4.25 0.11 0.00 0.00 0.00 0.00 36.38 32.14 2k28 s VAL 5 CO -0.09 -0.46 0.33 -0.36 0.00 0.00 0.00 175.10 174.52 2k28 s PHE 6 N 3.23 3.42 -0.12 5.22 0.08 -1.26 -4.53 117.98 124.02 2k28 s PHE 6 Ca 0.34 -1.85 -0.08 0.00 0.12 0.00 0.00 56.93 55.46 2k28 s PHE 6 Cb -0.13 -3.41 0.04 0.00 -0.57 0.00 0.00 43.02 38.96 2k28 s PHE 6 CO 0.17 -0.97 0.30 0.00 -0.10 0.00 0.00 175.22 174.62 2k28 s ALA 7 N 1.36 -0.73 0.08 5.36 0.00 -1.26 -5.03 121.76 121.54 2k28 s ALA 7 Ca 0.05 1.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.77 2k28 s ALA 7 Cb -0.26 -0.65 -0.07 0.00 0.00 0.00 0.00 23.12 22.15 2k28 s ALA 7 CO -0.00 -0.19 1.32 0.08 0.00 0.00 0.00 175.76 176.97 2k28 s VAL 8 N 0.90 3.61 -0.24 0.00 1.01 -1.26 -1.84 120.40 122.58 2k28 s VAL 8 Ca -0.06 1.14 0.04 0.00 0.00 0.00 0.00 61.98 63.10 2k28 s VAL 8 Cb -0.07 -3.73 -0.17 0.00 0.00 0.00 0.00 36.38 32.41 2k28 s VAL 8 CO -0.06 0.08 -0.18 1.21 0.00 0.00 0.00 175.10 176.14 2k28 n GLU 9 N 4.11 0.65 -3.66 2.72 4.07 0.36 -4.91 120.64 123.98 2k28 n GLU 9 Ca 0.11 0.12 -0.07 0.00 -0.06 0.00 0.00 57.16 57.26 2k28 n GLU 9 Cb 0.44 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 30.30 2k28 n GLU 9 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2k28 s SER 10 N -6.28 -0.30 -0.34 4.31 0.15 -1.25 -4.71 113.70 105.28 2k28 s SER 10 Ca -0.30 -0.28 -0.16 0.00 0.70 0.00 0.00 55.95 55.91 2k28 s SER 10 Cb 0.08 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.91 2k28 s SER 10 CO 0.61 -0.94 0.40 -0.63 1.20 0.00 0.00 173.24 173.89 2k28 s ILE 11 N -3.45 5.13 -0.07 6.45 1.01 -1.24 -1.52 121.20 127.51 2k28 s ILE 11 Ca 0.08 0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.65 2k28 s ILE 11 Cb -0.02 -3.85 -0.23 0.00 0.01 0.00 0.00 42.46 38.37 2k28 s ILE 11 CO -0.02 -0.10 1.02 -0.33 0.00 0.00 0.00 174.94 175.51 2k28 h GLU 12 N 8.43 0.06 -4.28 2.79 4.39 -1.39 -3.40 114.58 121.18 2k28 h GLU 12 Ca -0.29 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.12 2k28 h GLU 12 Cb 1.14 0.02 -0.22 0.00 -0.10 0.00 0.00 28.75 29.59 2k28 h GLU 12 CO 0.71 0.80 -0.72 0.21 -1.16 0.00 0.00 179.01 178.85 2k28 s LYS 13 N -3.21 0.42 -0.05 2.33 2.20 -1.25 -4.98 119.74 115.19 2k28 s LYS 13 Ca -0.17 -0.66 0.06 0.00 -0.36 0.00 0.00 55.97 54.85 2k28 s LYS 13 Cb -0.00 -0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.19 2k28 s LYS 13 CO 0.70 0.01 -0.25 0.21 -0.36 0.00 0.00 175.35 175.66 2k28 s LYS 14 N -1.44 2.47 0.14 4.03 2.47 -1.26 -2.57 119.74 123.57 2k28 s LYS 14 Ca -0.12 -0.90 -0.19 0.00 -1.56 0.00 0.00 55.97 53.20 2k28 s LYS 14 Cb -0.09 -2.13 0.05 0.00 -1.46 0.00 0.00 37.83 34.19 2k28 s LYS 14 CO -0.00 0.40 0.48 -0.98 0.16 0.00 0.00 175.35 175.41 2k28 s ARG 15 N -0.22 1.15 -0.01 4.03 1.04 -1.23 -5.08 118.95 118.63 2k28 s ARG 15 Ca -0.02 -0.62 0.02 0.00 -1.04 0.00 0.00 55.73 54.07 2k28 s ARG 15 Cb -0.13 0.52 -0.00 0.00 -2.04 0.00 0.00 34.95 33.29 2k28 s ARG 15 CO 0.03 -0.47 -0.05 0.42 -0.04 0.00 0.00 175.30 175.19 2k28 s ILE 16 N -3.78 0.41 -0.25 4.99 1.01 -1.26 -2.87 121.20 119.46 2k28 s ILE 16 Ca 0.02 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 2k28 s ILE 16 Cb 0.01 -0.36 0.08 0.00 0.01 0.00 0.00 42.46 42.20 2k28 s ILE 16 CO -0.12 0.12 0.59 -0.60 0.00 0.00 0.00 174.94 174.93 2k28 s ARG 17 N -0.07 0.58 -1.61 2.79 3.52 -0.58 -4.94 118.95 118.64 2k28 s ARG 17 Ca 0.01 1.12 -0.01 0.00 -0.13 0.00 0.00 55.73 56.73 2k28 s ARG 17 Cb -0.03 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 2k28 s ARG 17 CO -0.00 -0.17 0.12 1.63 -0.81 0.00 0.00 175.30 176.08 2k28 n LYS 18 N 4.51 -2.21 -1.80 5.12 4.76 -1.26 -1.48 118.16 125.80 2k28 n LYS 18 Ca -0.19 0.92 -0.09 0.00 -2.87 0.00 0.00 58.31 56.08 2k28 n LYS 18 Cb 0.56 -5.53 -0.02 0.00 -1.84 0.00 0.00 35.03 28.20 2k28 n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k28 n GLY 19 N -1.12 0.44 3.06 0.72 0.00 -1.26 -5.03 105.19 102.00 2k28 n GLY 19 Ca -0.20 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2k28 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k28 s ARG 20 N -3.76 2.34 -0.13 1.61 1.81 -0.55 -5.12 118.95 115.15 2k28 s ARG 20 Ca 0.00 -1.10 -0.13 0.00 -1.72 0.00 0.00 55.73 52.78 2k28 s ARG 20 Cb 0.00 -2.70 -0.05 0.00 -0.45 0.00 0.00 34.95 31.75 2k28 s ARG 20 CO 0.00 -0.46 0.28 0.54 -0.68 0.00 0.00 175.30 174.98 2k28 s VAL 21 N 1.22 5.30 -0.03 3.52 0.11 -1.26 -1.53 120.40 127.74 2k28 s VAL 21 Ca -0.04 0.52 -0.09 0.00 -2.93 0.00 0.00 61.98 59.43 2k28 s VAL 21 Cb -0.18 -3.60 0.01 0.00 -1.53 0.00 0.00 36.38 31.09 2k28 s VAL 21 CO -0.08 0.45 0.21 -0.70 -3.33 0.00 0.00 175.10 171.65 2k28 s GLU 22 N 0.03 0.46 -0.04 1.54 2.12 -1.14 -2.46 118.70 119.22 2k28 s GLU 22 Ca 0.17 -0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.43 2k28 s GLU 22 Cb -0.13 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 2k28 s GLU 22 CO 0.05 -0.11 -0.23 0.71 -0.54 0.00 0.00 175.26 175.14 2k28 s TYR 23 N -0.91 2.19 -0.54 5.30 2.02 -0.64 -3.55 117.35 121.22 2k28 s TYR 23 Ca -0.10 -0.58 -0.28 0.00 -0.37 0.00 0.00 57.07 55.74 2k28 s TYR 23 Cb -0.05 -1.44 0.02 0.00 -0.40 0.00 0.00 41.96 40.10 2k28 s TYR 23 CO 0.02 -0.15 1.26 -1.17 -1.57 0.00 0.00 175.55 173.94 2k28 s LEU 24 N -0.25 3.48 -0.18 -1.29 2.96 -1.06 -1.51 118.68 120.84 2k28 s LEU 24 Ca 0.00 0.28 -0.22 0.00 -0.22 0.00 0.00 54.13 53.97 2k28 s LEU 24 Cb -0.12 -3.24 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 2k28 s LEU 24 CO 0.02 -1.50 0.70 0.68 -1.32 0.00 0.00 176.35 174.93 2k28 s VAL 25 N 5.19 4.98 -0.84 1.68 -7.23 -0.17 -0.90 120.40 123.11 2k28 s VAL 25 Ca 0.48 1.35 -0.25 0.00 -1.81 0.00 0.00 61.98 61.74 2k28 s VAL 25 Cb -0.09 -4.01 0.04 0.00 0.56 0.00 0.00 36.38 32.88 2k28 s VAL 25 CO 0.27 0.09 1.32 -0.75 -0.31 0.00 0.00 175.10 175.73 2k28 s LYS 26 N 1.90 3.34 -0.10 4.82 2.47 -0.57 -3.68 119.74 127.92 2k28 s LYS 26 Ca 0.32 -0.63 -0.29 0.00 -1.56 0.00 0.00 55.97 53.81 2k28 s LYS 26 Cb -0.16 -4.63 -0.04 0.00 -1.46 0.00 0.00 37.83 31.54 2k28 s LYS 26 CO 0.11 -2.15 1.61 -1.58 0.16 0.00 0.00 175.35 173.51 2k28 s TRP 27 N 5.30 2.09 0.29 4.03 0.52 -1.26 -0.49 118.94 129.42 2k28 s TRP 27 Ca 0.38 0.36 -0.29 0.00 0.02 0.00 0.00 56.10 56.57 2k28 s TRP 27 Cb -0.05 -3.88 -0.10 0.00 -1.15 0.00 0.00 33.47 28.29 2k28 s TRP 27 CO 0.05 -3.43 1.28 -0.98 0.02 0.00 0.00 176.95 173.89 2k28 s ARG 28 N 4.13 4.40 0.00 4.98 1.70 -0.76 -2.41 118.95 130.98 2k28 s ARG 28 Ca 0.71 2.12 0.00 0.00 -0.47 0.00 0.00 55.73 58.09 2k28 s ARG 28 Cb -0.30 -3.12 0.00 0.00 -0.57 0.00 0.00 34.95 30.96 2k28 s ARG 28 CO 0.28 -0.15 0.00 0.41 -1.08 0.00 0.00 175.30 174.75 2k28 n GLY 29 N 1.29 1.99 3.63 3.88 0.00 -1.26 -4.69 105.19 110.05 2k28 n GLY 29 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2k28 n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k28 s TRP 30 N -2.34 2.73 0.68 1.61 0.52 -1.01 -5.07 118.94 116.06 2k28 s TRP 30 Ca 0.00 -0.20 -0.11 0.00 0.02 0.00 0.00 56.10 55.81 2k28 s TRP 30 Cb 0.00 -1.27 -0.00 0.00 -1.15 0.00 0.00 33.47 31.04 2k28 s TRP 30 CO 0.00 0.56 1.06 -1.54 0.02 0.00 0.00 176.95 177.05 2k28 s SER 31 N -3.25 5.62 0.00 2.95 1.04 -1.26 -4.82 113.70 113.98 2k28 s SER 31 Ca 0.29 1.43 0.00 0.00 0.48 0.00 0.00 55.95 58.15 2k28 s SER 31 Cb -0.08 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2k28 s SER 31 CO 0.18 -1.26 0.24 -2.65 0.98 0.00 0.00 173.24 170.73 2k28 n PRO 32 N -3.00 0.24 -0.07 4.02 -0.02 -1.26 -1.55 135.00 133.36 2k28 n PRO 32 Ca 0.07 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.53 2k28 n PRO 32 Cb 0.55 -1.00 -0.16 0.00 -0.02 0.00 0.00 33.50 32.86 2k28 n PRO 32 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2k28 n LYS 33 N -0.50 0.69 -1.11 -0.52 2.85 -1.26 -4.53 118.16 113.77 2k28 n LYS 33 Ca 0.00 -0.08 -0.26 0.00 -1.05 0.00 0.00 58.31 56.92 2k28 n LYS 33 Cb 0.00 -1.52 0.08 0.00 -0.65 0.00 0.00 35.03 32.94 2k28 n LYS 33 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2k28 n TYR 34 N -2.56 2.52 -4.97 5.58 4.01 -0.60 -4.90 117.16 116.24 2k28 n TYR 34 Ca -0.22 -2.39 -0.32 0.00 -0.16 0.00 0.00 57.90 54.80 2k28 n TYR 34 Cb 0.94 -1.16 -0.14 0.00 -0.31 0.00 0.00 39.34 38.67 2k28 n TYR 34 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k28 s ASN 35 N -0.96 3.85 0.43 7.72 4.22 -1.26 -4.66 114.94 124.28 2k28 s ASN 35 Ca 0.50 -0.25 0.03 0.00 -2.14 0.00 0.00 52.86 51.00 2k28 s ASN 35 Cb 0.40 -0.77 -0.02 0.00 1.28 0.00 0.00 41.25 42.13 2k28 s ASN 35 CO 0.01 0.34 0.09 0.28 -2.04 0.00 0.00 177.10 175.78 2k28 s THR 36 N -0.69 0.78 -0.14 0.54 -1.32 -1.24 -4.91 115.64 108.65 2k28 s THR 36 Ca 0.11 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.41 2k28 s THR 36 Cb -0.11 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 2k28 s THR 36 CO 0.00 0.00 0.46 0.26 -2.21 0.00 0.00 174.62 173.13 2k28 s TRP 37 N -3.12 3.47 -0.03 9.09 0.52 -1.26 -1.00 118.94 126.62 2k28 s TRP 37 Ca 0.20 0.82 0.05 0.00 0.02 0.00 0.00 56.10 57.18 2k28 s TRP 37 Cb 0.03 -2.54 -0.01 0.00 -1.15 0.00 0.00 33.47 29.79 2k28 s TRP 37 CO 0.12 0.12 -0.17 -1.21 0.02 0.00 0.00 176.95 175.82 2k28 s GLU 38 N 0.82 1.60 1.12 4.98 0.41 -0.57 -4.96 118.70 122.09 2k28 s GLU 38 Ca 0.24 -0.61 -0.13 0.00 -0.41 0.00 0.00 54.97 54.06 2k28 s GLU 38 Cb -0.15 -1.46 0.26 0.00 -1.78 0.00 0.00 34.13 31.00 2k28 s GLU 38 CO 0.09 0.30 1.05 -1.25 -0.49 0.00 0.00 175.26 174.96 2k28 s PRO 39 N -0.17 -0.54 0.33 0.39 0.04 -1.26 -1.63 135.00 132.16 2k28 s PRO 39 Ca 0.01 0.81 0.04 0.00 0.04 0.00 0.00 61.00 61.90 2k28 s PRO 39 Cb -0.09 -1.60 0.66 0.00 0.04 0.00 0.00 34.50 33.50 2k28 s PRO 39 CO 0.01 -3.46 1.92 1.05 0.04 0.00 0.00 177.00 176.55 2k28 h GLU 40 N -2.43 0.85 -0.00 4.56 4.11 -1.83 -2.14 114.58 117.69 2k28 h GLU 40 Ca -0.59 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 58.67 2k28 h GLU 40 Cb 1.33 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2k28 h GLU 40 CO 0.51 0.56 -0.57 1.05 0.07 0.00 0.00 179.01 180.63 2k28 h GLU 41 N 0.87 0.01 -0.06 1.06 4.11 -1.92 -2.90 114.58 115.76 2k28 h GLU 41 Ca 0.38 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 59.59 2k28 h GLU 41 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2k28 h GLU 41 CO -0.15 0.58 -0.83 -0.97 0.07 0.00 0.00 179.01 177.71 2k28 h ASN 42 N 0.01 0.58 -2.27 3.06 -0.73 -1.75 -3.36 115.58 111.12 2k28 h ASN 42 Ca -0.01 -0.42 -0.78 0.00 1.87 0.00 0.00 56.30 56.97 2k28 h ASN 42 Cb 1.01 -0.17 -0.22 0.00 0.27 0.00 0.00 38.32 39.21 2k28 h ASN 42 CO 0.07 1.19 1.32 -0.38 -0.37 0.00 0.00 177.43 179.26 2k28 n ILE 43 N -3.82 4.76 1.06 2.57 2.08 -0.89 -4.68 119.36 120.45 2k28 n ILE 43 Ca -0.06 -5.14 0.12 0.00 0.56 0.00 0.00 62.75 58.23 2k28 n ILE 43 Cb 0.77 -2.28 0.14 0.00 -0.75 0.00 0.00 39.64 37.53 2k28 n ILE 43 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2k28 n LEU 44 N 2.91 1.00 -4.70 1.39 7.94 -1.26 -4.89 117.00 119.39 2k28 n LEU 44 Ca 0.32 -0.31 -0.42 0.00 -1.11 0.00 0.00 56.01 54.49 2k28 n LEU 44 Cb 0.36 -0.12 -0.03 0.00 0.53 0.00 0.00 43.42 44.17 2k28 n LEU 44 CO 0.73 0.21 0.75 -0.62 -1.11 0.00 0.00 177.39 177.35 2k28 s ASP 45 N -2.80 7.29 0.35 1.96 2.15 -1.26 -4.98 116.67 119.39 2k28 s ASP 45 Ca 0.15 1.60 0.16 0.00 0.43 0.00 0.00 52.55 54.88 2k28 s ASP 45 Cb 0.18 -2.56 0.63 0.00 -0.30 0.00 0.00 42.92 40.87 2k28 s ASP 45 CO 0.68 -0.37 1.73 1.55 -0.17 0.00 0.00 175.17 178.59 2k28 h PRO 46 N 6.97 0.00 -0.24 4.34 0.13 -1.99 -3.15 132.00 138.06 2k28 h PRO 46 Ca -0.35 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.70 2k28 h PRO 46 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2k28 h PRO 46 CO 0.81 0.43 -0.18 0.00 -0.23 0.00 0.00 178.00 178.83 2k28 h ARG 47 N 0.00 0.42 -0.16 0.86 2.47 -1.98 -1.22 114.38 114.78 2k28 h ARG 47 Ca -0.00 -0.13 -0.04 0.00 -1.26 0.00 0.00 59.98 58.55 2k28 h ARG 47 Cb 0.88 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.16 2k28 h ARG 47 CO 0.06 0.59 -0.06 -0.07 0.56 0.00 0.00 179.97 181.05 2k28 h LEU 48 N 0.39 0.32 -2.24 3.04 3.38 -1.83 -3.22 115.31 115.14 2k28 h LEU 48 Ca 0.07 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2k28 h LEU 48 Cb 0.54 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2k28 h LEU 48 CO 0.04 0.64 -0.05 -0.07 0.09 0.00 0.00 178.44 179.08 2k28 h LEU 49 N -0.00 0.00 -0.50 1.67 3.38 -1.31 -2.29 115.31 116.26 2k28 h LEU 49 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2k28 h LEU 49 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2k28 h LEU 49 CO 0.02 0.05 0.32 0.40 0.09 0.00 0.00 178.44 179.32 2k28 h ILE 50 N 0.00 1.09 -0.70 1.22 1.08 -1.26 -1.81 117.51 117.13 2k28 h ILE 50 Ca -0.00 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 2k28 h ILE 50 Cb 0.19 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 2k28 h ILE 50 CO 0.01 0.12 0.41 0.00 -0.69 0.00 0.00 178.15 178.00 2k28 h ALA 51 N 1.20 1.42 -0.60 1.87 0.00 -1.55 -2.21 119.26 119.39 2k28 h ALA 51 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2k28 h ALA 51 Cb -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2k28 h ALA 51 CO -0.06 0.50 0.30 0.35 0.00 0.00 0.00 179.25 180.34 2k28 h PHE 52 N 0.96 0.85 -0.09 0.00 3.57 -1.45 -0.53 116.94 120.25 2k28 h PHE 52 Ca 0.25 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2k28 h PHE 52 Cb -0.03 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 2k28 h PHE 52 CO 0.00 0.63 0.05 1.96 -2.23 0.00 0.00 178.31 178.73 2k28 h GLN 53 N 0.81 0.12 -0.28 1.11 4.20 -0.75 -2.84 115.11 117.49 2k28 h GLN 53 Ca 0.21 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 2k28 h GLN 53 Cb 0.09 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2k28 h GLN 53 CO -0.03 0.17 -0.40 -0.91 -0.67 0.00 0.00 178.83 176.99 2k28 h ASN 54 N 0.05 0.69 -0.77 1.46 2.35 -1.47 -3.20 115.58 114.70 2k28 h ASN 54 Ca 0.03 -0.31 0.15 0.00 -0.55 0.00 0.00 56.30 55.62 2k28 h ASN 54 Cb 0.08 -0.19 -0.10 0.00 0.05 0.00 0.00 38.32 38.16 2k28 h ASN 54 CO -0.00 1.01 0.31 -0.09 -1.65 0.00 0.00 177.43 177.01 2k28 h ARG 55 N 0.54 0.44 0.00 0.81 9.65 -0.85 0.80 114.38 125.76 2k28 h ARG 55 Ca 0.05 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 58.79 2k28 h ARG 55 Cb 0.92 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.39 2k28 h ARG 55 CO 0.08 0.29 -0.50 0.93 2.80 0.00 0.00 179.97 183.57 2k28 h GLU 56 N 0.45 0.00 0.00 0.20 5.08 -1.53 -2.89 114.58 115.90 2k28 h GLU 56 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2k28 h GLU 56 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2k28 h GLU 56 CO -0.41 0.50 -0.11 0.00 -1.00 0.00 0.00 179.01 177.99 2k28 h ARG 57 N 0.00 0.00 -2.74 2.33 3.08 -1.06 -3.35 114.38 112.64 2k28 h ARG 57 Ca -0.01 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.32 2k28 h ARG 57 Cb 1.12 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.09 2k28 h ARG 57 CO 0.07 0.00 2.79 1.04 -1.07 0.00 0.00 179.97 182.80 2k28 n GLN 58 N -2.95 4.34 -1.80 0.04 1.13 0.09 -4.97 117.38 113.26 2k28 n GLN 58 Ca 0.04 -3.13 -0.30 0.00 -1.94 0.00 0.00 57.00 51.67 2k28 n GLN 58 Cb 0.52 -2.69 0.08 0.00 0.11 0.00 0.00 30.24 28.26 2k28 n GLN 58 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2k28 s GLU 59 N -0.24 2.30 0.00 -1.09 -1.05 -1.26 -4.99 118.70 112.37 2k28 s GLU 59 Ca 0.58 0.37 0.00 0.00 -0.15 0.00 0.00 54.97 55.77 2k28 s GLU 59 Cb 0.18 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.91 2k28 s GLU 59 CO -0.08 -1.41 0.00 1.04 0.95 0.00 0.00 175.26 175.76