#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k28 n SER 2 N 0.00 -3.98 0.06 1.61 3.41 -1.26 -4.88 113.62 108.59 2k28 n SER 2 Ca 0.00 -0.66 0.13 0.00 -0.26 0.00 0.00 58.87 58.07 2k28 n SER 2 Cb 0.00 -3.24 0.34 0.00 -0.26 0.00 0.00 64.21 61.04 2k28 n SER 2 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2k28 n GLU 3 N -4.17 0.20 -1.00 4.33 0.28 -1.26 -3.33 120.64 115.69 2k28 n GLU 3 Ca 0.03 0.11 -0.03 0.00 -0.16 0.00 0.00 57.16 57.11 2k28 n GLU 3 Cb 0.52 -1.68 0.34 0.00 1.43 0.00 0.00 31.44 32.05 2k28 n GLU 3 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2k28 n HIS 4 N -2.01 2.38 -2.39 -1.84 -0.00 -1.26 -4.97 115.22 105.14 2k28 n HIS 4 Ca 0.05 -1.08 -0.42 0.00 0.46 0.00 0.00 57.72 56.72 2k28 n HIS 4 Cb 0.41 -0.65 -0.03 0.00 -0.12 0.00 0.00 29.99 29.60 2k28 n HIS 4 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2k28 s VAL 5 N -2.94 4.11 -0.05 3.57 -7.23 -1.21 -5.02 120.40 111.62 2k28 s VAL 5 Ca 0.55 1.45 0.02 0.00 -1.81 0.00 0.00 61.98 62.19 2k28 s VAL 5 Cb 0.44 -3.93 0.02 0.00 0.56 0.00 0.00 36.38 33.47 2k28 s VAL 5 CO 0.14 -0.01 -0.08 0.72 -0.31 0.00 0.00 175.10 175.57 2k28 s PHE 6 N 2.30 1.07 -0.14 2.82 -0.71 -1.26 -4.97 117.98 117.09 2k28 s PHE 6 Ca 0.58 -0.36 -0.11 0.00 -1.04 0.00 0.00 56.93 56.00 2k28 s PHE 6 Cb -0.26 -0.85 0.04 0.00 -1.21 0.00 0.00 43.02 40.74 2k28 s PHE 6 CO 0.23 -0.23 0.35 0.00 -1.34 0.00 0.00 175.22 174.23 2k28 s ALA 7 N 0.81 -0.88 0.02 1.99 0.00 -1.26 -5.03 121.76 117.41 2k28 s ALA 7 Ca -0.13 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 2k28 s ALA 7 Cb -0.15 -0.65 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 2k28 s ALA 7 CO 0.02 -0.19 1.47 0.08 0.00 0.00 0.00 175.76 177.14 2k28 s VAL 8 N 0.50 3.51 -0.25 0.00 1.01 -1.26 -1.76 120.40 122.15 2k28 s VAL 8 Ca -0.03 0.92 -0.16 0.00 0.00 0.00 0.00 61.98 62.72 2k28 s VAL 8 Cb -0.04 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.62 2k28 s VAL 8 CO -0.03 -0.00 -0.23 1.21 0.00 0.00 0.00 175.10 176.05 2k28 n GLU 9 N 5.39 0.57 -3.81 2.72 2.13 -0.17 -4.90 120.64 122.58 2k28 n GLU 9 Ca 0.14 0.33 -0.09 0.00 0.66 0.00 0.00 57.16 58.20 2k28 n GLU 9 Cb 0.43 -1.55 -0.06 0.00 0.27 0.00 0.00 31.44 30.53 2k28 n GLU 9 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k28 s SER 10 N -7.11 -0.03 -0.15 4.31 0.01 -1.24 -4.86 113.70 104.63 2k28 s SER 10 Ca -0.35 -0.59 -0.15 0.00 1.31 0.00 0.00 55.95 56.17 2k28 s SER 10 Cb 0.11 0.42 -0.05 0.00 0.21 0.00 0.00 66.02 66.72 2k28 s SER 10 CO 0.49 -0.83 0.34 -0.63 0.41 0.00 0.00 173.24 173.02 2k28 s ILE 11 N -3.87 5.27 -0.26 1.44 1.01 -1.26 -1.29 121.20 122.24 2k28 s ILE 11 Ca 0.08 0.66 -0.14 0.00 0.00 0.00 0.00 60.65 61.24 2k28 s ILE 11 Cb 0.03 -3.68 -0.14 0.00 0.01 0.00 0.00 42.46 38.68 2k28 s ILE 11 CO -0.08 0.37 -0.25 -0.62 0.00 0.00 0.00 174.94 174.37 2k28 n GLU 12 N 3.59 0.59 -4.21 2.79 -0.58 0.01 -4.56 120.64 118.27 2k28 n GLU 12 Ca -0.11 0.30 -0.13 0.00 -0.42 0.00 0.00 57.16 56.81 2k28 n GLU 12 Cb 0.52 -1.54 -0.10 0.00 -0.57 0.00 0.00 31.44 29.75 2k28 n GLU 12 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2k28 s LYS 13 N -2.49 0.95 -0.00 3.49 1.02 -1.24 -4.98 119.74 116.48 2k28 s LYS 13 Ca -0.37 -1.35 -0.05 0.00 0.02 0.00 0.00 55.97 54.22 2k28 s LYS 13 Cb 0.13 -0.48 -0.00 0.00 -0.52 0.00 0.00 37.83 36.96 2k28 s LYS 13 CO 0.52 0.05 0.10 -1.59 -0.92 0.00 0.00 175.35 173.51 2k28 s LYS 14 N -3.56 0.40 0.23 1.68 0.00 -1.26 -1.21 119.74 116.01 2k28 s LYS 14 Ca 0.13 -0.36 -0.18 0.00 0.00 0.00 0.00 55.97 55.56 2k28 s LYS 14 Cb 0.02 0.16 0.02 0.00 0.00 0.00 0.00 37.83 38.04 2k28 s LYS 14 CO -0.01 -0.09 0.58 -0.98 0.00 0.00 0.00 175.35 174.85 2k28 s ARG 15 N -1.18 1.53 -0.22 1.78 1.04 -1.18 -5.05 118.95 115.68 2k28 s ARG 15 Ca -0.13 -0.96 0.01 0.00 -1.04 0.00 0.00 55.73 53.62 2k28 s ARG 15 Cb -0.07 0.54 0.04 0.00 -2.04 0.00 0.00 34.95 33.42 2k28 s ARG 15 CO 0.01 -0.67 -0.13 0.42 -0.04 0.00 0.00 175.30 174.89 2k28 s ILE 16 N -3.91 2.31 -0.02 4.99 1.01 -1.26 -2.24 121.20 122.08 2k28 s ILE 16 Ca 0.12 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.57 2k28 s ILE 16 Cb -0.02 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.31 2k28 s ILE 16 CO 0.02 0.26 0.01 -0.13 0.00 0.00 0.00 174.94 175.10 2k28 s ARG 17 N 1.23 0.11 -1.37 2.79 1.81 -0.61 -4.82 118.95 118.10 2k28 s ARG 17 Ca -0.01 0.07 0.00 0.00 -1.72 0.00 0.00 55.73 54.07 2k28 s ARG 17 Cb -0.16 -0.26 0.00 0.00 -0.45 0.00 0.00 34.95 34.07 2k28 s ARG 17 CO -0.08 -0.09 0.00 1.17 -0.68 0.00 0.00 175.30 175.62 2k28 n LYS 18 N 3.77 -1.15 -1.01 3.54 4.81 -1.26 -1.54 118.16 125.33 2k28 n LYS 18 Ca -0.22 0.81 -0.00 0.00 -0.87 0.00 0.00 58.31 58.03 2k28 n LYS 18 Cb 0.53 -5.08 -0.00 0.00 0.02 0.00 0.00 35.03 30.50 2k28 n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k28 n GLY 19 N -1.05 0.33 3.38 3.14 0.00 -1.26 -5.01 105.19 104.72 2k28 n GLY 19 Ca -0.17 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.92 3.40 -0.37 1.61 0.52 -0.59 -5.07 118.95 117.53 2k28 s ARG 20 Ca 0.00 -0.64 -0.27 0.00 -0.52 0.00 0.00 55.73 54.31 2k28 s ARG 20 Cb 0.00 -3.26 0.02 0.00 0.52 0.00 0.00 34.95 32.23 2k28 s ARG 20 CO 0.00 -0.27 0.98 0.54 0.02 0.00 0.00 175.30 176.56 2k28 s VAL 21 N 1.54 4.53 -0.00 3.52 0.11 -1.26 -1.57 120.40 127.27 2k28 s VAL 21 Ca 0.05 1.31 0.02 0.00 -2.93 0.00 0.00 61.98 60.43 2k28 s VAL 21 Cb -0.16 -4.38 -0.01 0.00 -1.53 0.00 0.00 36.38 30.31 2k28 s VAL 21 CO 0.01 -0.57 -0.07 -0.70 -3.33 0.00 0.00 175.10 170.45 2k28 s GLU 22 N 3.60 0.57 -0.09 1.54 2.12 -0.95 -2.65 118.70 122.83 2k28 s GLU 22 Ca 0.40 -0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.49 2k28 s GLU 22 Cb -0.12 -0.55 -0.02 0.00 0.26 0.00 0.00 34.13 33.71 2k28 s GLU 22 CO 0.19 0.15 -0.13 0.71 -0.54 0.00 0.00 175.26 175.64 2k28 s TYR 23 N -0.19 2.77 -0.58 5.30 2.02 -0.62 -3.08 117.35 122.97 2k28 s TYR 23 Ca 0.03 -0.43 -0.28 0.00 -0.37 0.00 0.00 57.07 56.02 2k28 s TYR 23 Cb -0.03 -1.75 0.03 0.00 -0.40 0.00 0.00 41.96 39.81 2k28 s TYR 23 CO -0.00 -0.03 1.16 -1.17 -1.57 0.00 0.00 175.55 173.94 2k28 s LEU 24 N -0.13 3.53 -0.08 -1.29 2.96 -0.35 -1.12 118.68 122.20 2k28 s LEU 24 Ca -0.01 0.03 -0.16 0.00 -0.22 0.00 0.00 54.13 53.76 2k28 s LEU 24 Cb -0.14 -3.10 -0.05 0.00 0.50 0.00 0.00 46.19 43.40 2k28 s LEU 24 CO 0.03 -1.46 0.43 0.68 -1.32 0.00 0.00 176.35 174.71 2k28 s VAL 25 N 4.85 5.14 -0.40 1.68 -7.23 -0.39 -0.81 120.40 123.24 2k28 s VAL 25 Ca 0.41 0.86 -0.24 0.00 -1.81 0.00 0.00 61.98 61.20 2k28 s VAL 25 Cb -0.08 -3.76 0.02 0.00 0.56 0.00 0.00 36.38 33.12 2k28 s VAL 25 CO 0.24 0.43 0.83 -0.75 -0.31 0.00 0.00 175.10 175.54 2k28 s LYS 26 N -0.00 3.66 -0.01 4.82 2.36 -0.41 -3.35 119.74 126.80 2k28 s LYS 26 Ca 0.24 0.24 -0.30 0.00 -2.55 0.00 0.00 55.97 53.60 2k28 s LYS 26 Cb -0.15 -3.85 -0.03 0.00 -1.05 0.00 0.00 37.83 32.74 2k28 s LYS 26 CO 0.10 -0.98 1.06 -1.58 1.55 0.00 0.00 175.35 175.50 2k28 s TRP 27 N 3.30 3.54 0.17 4.03 0.52 -1.26 -0.99 118.94 128.25 2k28 s TRP 27 Ca 0.33 1.54 -0.32 0.00 0.02 0.00 0.00 56.10 57.68 2k28 s TRP 27 Cb -0.12 -3.23 -0.11 0.00 -1.15 0.00 0.00 33.47 28.86 2k28 s TRP 27 CO 0.20 -0.46 1.69 -0.98 0.02 0.00 0.00 176.95 177.42 2k28 s ARG 28 N 1.32 4.16 0.00 4.98 1.70 -0.72 -2.12 118.95 128.26 2k28 s ARG 28 Ca 0.53 2.52 0.00 0.00 -0.47 0.00 0.00 55.73 58.31 2k28 s ARG 28 Cb -0.23 -3.21 0.00 0.00 -0.57 0.00 0.00 34.95 30.94 2k28 s ARG 28 CO 0.26 -0.73 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 2k28 n GLY 29 N 3.96 0.56 3.49 3.88 0.00 -1.26 -4.73 105.19 111.09 2k28 n GLY 29 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.44 2.62 0.53 1.61 0.52 -0.90 -5.13 118.94 115.75 2k28 s TRP 30 Ca 0.00 -0.22 -0.22 0.00 0.02 0.00 0.00 56.10 55.69 2k28 s TRP 30 Cb 0.00 -1.47 -0.05 0.00 -1.15 0.00 0.00 33.47 30.80 2k28 s TRP 30 CO 0.00 0.30 1.28 -1.12 0.02 0.00 0.00 176.95 177.44 2k28 s SER 31 N -1.61 5.49 0.00 2.95 0.01 -1.26 -4.68 113.70 114.60 2k28 s SER 31 Ca 0.16 2.58 0.05 0.00 1.31 0.00 0.00 55.95 60.06 2k28 s SER 31 Cb -0.11 -2.62 0.31 0.00 0.21 0.00 0.00 66.02 63.82 2k28 s SER 31 CO 0.07 -1.41 0.73 -0.81 0.41 0.00 0.00 173.24 172.23 2k28 n PRO 32 N -0.98 0.20 0.06 12.44 -0.04 -1.26 -0.90 135.00 144.52 2k28 n PRO 32 Ca 0.10 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2k28 n PRO 32 Cb 0.47 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2k28 n PRO 32 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2k28 n LYS 33 N -0.91 0.62 -0.22 0.54 2.85 -1.26 -4.16 118.16 115.62 2k28 n LYS 33 Ca 0.04 0.02 0.04 0.00 -1.05 0.00 0.00 58.31 57.36 2k28 n LYS 33 Cb 0.02 -1.72 0.14 0.00 -0.65 0.00 0.00 35.03 32.82 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 -2.55 0.55 -1.82 5.58 4.01 -0.08 -4.93 117.16 117.93 2k28 n TYR 34 Ca -0.02 -0.23 -0.34 0.00 -0.16 0.00 0.00 57.90 57.15 2k28 n TYR 34 Cb 0.57 -0.09 0.05 0.00 -0.31 0.00 0.00 39.34 39.56 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 -0.78 5.04 0.12 7.72 2.20 -1.25 -4.85 114.94 123.15 2k28 s ASN 35 Ca 0.21 2.16 0.05 0.00 -0.94 0.00 0.00 52.86 54.34 2k28 s ASN 35 Cb 0.13 -2.57 -0.04 0.00 -2.00 0.00 0.00 41.25 36.77 2k28 s ASN 35 CO 0.11 -1.68 -0.12 0.42 -2.94 0.00 0.00 177.10 172.89 2k28 s THR 36 N -2.06 1.16 -0.34 0.54 -4.23 -1.21 -4.98 115.64 104.52 2k28 s THR 36 Ca 0.71 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 59.22 2k28 s THR 36 Cb -0.24 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.09 2k28 s THR 36 CO 0.38 -0.53 0.87 0.26 -0.54 0.00 0.00 174.62 175.07 2k28 s TRP 37 N -2.46 3.14 -0.06 3.99 0.52 -1.26 -1.26 118.94 121.54 2k28 s TRP 37 Ca 0.09 0.82 0.03 0.00 0.02 0.00 0.00 56.10 57.06 2k28 s TRP 37 Cb -0.03 -3.45 -0.02 0.00 -1.15 0.00 0.00 33.47 28.82 2k28 s TRP 37 CO 0.02 -0.70 -0.15 -1.21 0.02 0.00 0.00 176.95 174.92 2k28 s GLU 38 N 3.24 2.63 0.71 4.98 0.41 -0.28 -4.92 118.70 125.48 2k28 s GLU 38 Ca 0.36 -0.71 -0.16 0.00 -0.41 0.00 0.00 54.97 54.05 2k28 s GLU 38 Cb -0.13 -2.40 0.02 0.00 -1.78 0.00 0.00 34.13 29.84 2k28 s GLU 38 CO 0.16 0.55 1.22 -0.35 -0.49 0.00 0.00 175.26 176.35 2k28 n PRO 39 N 2.52 0.72 -0.01 0.39 -0.04 -1.26 -1.59 135.00 135.73 2k28 n PRO 39 Ca -0.17 0.31 0.10 0.00 -0.04 0.00 0.00 63.50 63.70 2k28 n PRO 39 Cb 0.52 -2.46 0.51 0.00 -0.04 0.00 0.00 33.50 32.04 2k28 n PRO 39 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k28 h GLU 40 N -0.05 0.35 -0.41 0.54 4.22 -1.86 -0.96 114.58 116.41 2k28 h GLU 40 Ca -0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 58.92 2k28 h GLU 40 Cb 1.33 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2k28 h GLU 40 CO 0.50 0.23 0.20 1.05 -2.18 0.00 0.00 179.01 178.81 2k28 h GLU 41 N 0.36 0.56 0.00 1.92 4.11 -1.91 -1.95 114.58 117.67 2k28 h GLU 41 Ca 0.21 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.58 2k28 h GLU 41 Cb 0.36 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2k28 h GLU 41 CO -0.05 0.43 0.00 -0.97 0.07 0.00 0.00 179.01 178.49 2k28 h ASN 42 N 0.57 0.00 -2.48 3.06 -1.24 -1.53 -3.33 115.58 110.64 2k28 h ASN 42 Ca 0.15 0.00 -0.70 0.00 0.71 0.00 0.00 56.30 56.45 2k28 h ASN 42 Cb 0.05 0.00 -0.35 0.00 0.73 0.00 0.00 38.32 38.75 2k28 h ASN 42 CO -0.02 0.00 0.13 -0.38 -1.29 0.00 0.00 177.43 175.87 2k28 n ILE 43 N -2.76 4.07 0.33 2.57 2.08 -0.73 -4.78 119.36 120.14 2k28 n ILE 43 Ca 0.04 -5.64 0.12 0.00 0.56 0.00 0.00 62.75 57.82 2k28 n ILE 43 Cb 0.43 -1.92 0.09 0.00 -0.75 0.00 0.00 39.64 37.49 2k28 n ILE 43 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 2k28 h LEU 44 N 4.47 0.00 -9.15 1.39 5.85 -1.68 -3.46 115.31 112.74 2k28 h LEU 44 Ca 0.24 -0.10 -0.56 0.00 0.84 0.00 0.00 57.88 58.30 2k28 h LEU 44 Cb 0.57 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2k28 h LEU 44 CO 1.07 0.05 1.10 -0.62 -0.34 0.00 0.00 178.44 179.70 2k28 s ASP 45 N -4.89 6.54 0.53 1.25 -1.08 -1.26 -4.92 116.67 112.85 2k28 s ASP 45 Ca 0.03 1.92 0.31 0.00 -0.52 0.00 0.00 52.55 54.29 2k28 s ASP 45 Cb 0.11 -2.53 1.44 0.00 -1.46 0.00 0.00 42.92 40.48 2k28 s ASP 45 CO 0.75 -1.08 2.03 1.55 0.52 0.00 0.00 175.17 178.94 2k28 h PRO 46 N 10.06 0.00 -0.07 4.34 0.13 -1.99 -2.56 132.00 141.92 2k28 h PRO 46 Ca -0.36 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.69 2k28 h PRO 46 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2k28 h PRO 46 CO 0.98 0.09 -0.33 0.07 -0.23 0.00 0.00 178.00 178.58 2k28 h ARG 47 N 0.00 0.13 -0.11 0.86 0.11 -1.99 -0.61 114.38 112.77 2k28 h ARG 47 Ca -0.00 -0.05 -0.21 0.00 0.10 0.00 0.00 59.98 59.82 2k28 h ARG 47 Cb 0.44 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.51 2k28 h ARG 47 CO 0.01 0.45 -0.79 -0.07 0.10 0.00 0.00 179.97 179.66 2k28 h LEU 48 N 0.11 0.75 -1.86 0.08 3.38 -1.79 -3.04 115.31 112.95 2k28 h LEU 48 Ca 0.01 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 2k28 h LEU 48 Cb 0.64 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2k28 h LEU 48 CO 0.05 1.29 -0.07 -0.07 0.09 0.00 0.00 178.44 179.72 2k28 h LEU 49 N 0.42 0.00 -0.44 1.67 3.38 -1.30 -1.59 115.31 117.45 2k28 h LEU 49 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2k28 h LEU 49 Cb 1.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 2k28 h LEU 49 CO 0.15 0.07 0.05 0.40 0.09 0.00 0.00 178.44 179.20 2k28 h ILE 50 N 0.00 1.25 -0.58 1.22 1.08 -1.01 -1.54 117.51 117.93 2k28 h ILE 50 Ca -0.00 -0.94 -0.05 0.00 -0.39 0.00 0.00 64.86 63.48 2k28 h ILE 50 Cb 0.39 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 2k28 h ILE 50 CO 0.01 0.33 0.16 0.00 -0.69 0.00 0.00 178.15 177.96 2k28 h ALA 51 N 0.93 1.18 -0.10 1.87 0.00 -1.31 0.26 119.26 122.09 2k28 h ALA 51 Ca 0.13 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k28 h ALA 51 Cb 0.42 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2k28 h ALA 51 CO 0.01 0.56 -0.15 0.35 0.00 0.00 0.00 179.25 180.02 2k28 h PHE 52 N 0.86 -0.39 -0.31 0.00 3.57 -1.27 -2.37 116.94 117.02 2k28 h PHE 52 Ca 0.19 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2k28 h PHE 52 Cb 0.29 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2k28 h PHE 52 CO 0.02 -0.22 -0.05 1.96 -2.23 0.00 0.00 178.31 177.79 2k28 h GLN 53 N -0.20 0.50 -0.55 1.11 1.08 -0.74 -2.33 115.11 113.97 2k28 h GLN 53 Ca 0.08 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2k28 h GLN 53 Cb 0.32 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 2k28 h GLN 53 CO -0.22 0.56 0.32 -0.91 -0.95 0.00 0.00 178.83 177.63 2k28 h ASN 54 N 0.47 0.67 0.02 1.46 2.35 -0.77 -2.13 115.58 117.66 2k28 h ASN 54 Ca 0.10 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 2k28 h ASN 54 Cb 0.38 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2k28 h ASN 54 CO 0.02 0.55 -0.13 0.03 -1.65 0.00 0.00 177.43 176.25 2k28 h ARG 55 N 0.74 0.23 0.00 0.81 -0.00 -0.98 -0.77 114.38 114.41 2k28 h ARG 55 Ca 0.20 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.98 59.53 2k28 h ARG 55 Cb 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 29.93 2k28 h ARG 55 CO -0.03 0.37 -0.46 0.93 0.00 0.00 0.00 179.97 180.77 2k28 h GLU 56 N 0.22 0.00 0.00 0.04 4.39 -0.89 -3.33 114.58 115.01 2k28 h GLU 56 Ca 0.05 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 2k28 h GLU 56 Cb 0.36 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2k28 h GLU 56 CO 0.02 0.46 -0.43 0.00 -1.16 0.00 0.00 179.01 177.90 2k28 h ARG 57 N 0.00 0.00 -7.17 2.33 2.47 -0.79 -3.48 114.38 107.73 2k28 h ARG 57 Ca -0.00 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.24 2k28 h ARG 57 Cb 0.84 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.19 2k28 h ARG 57 CO 0.06 0.39 0.37 1.14 0.56 0.00 0.00 179.97 182.50 2k28 s GLN 58 N -2.07 3.74 0.18 0.04 -2.07 -0.35 -5.08 119.66 114.05 2k28 s GLN 58 Ca -0.14 1.10 0.06 0.00 -1.82 0.00 0.00 55.36 54.55 2k28 s GLN 58 Cb 0.01 -2.10 -0.04 0.00 -1.09 0.00 0.00 33.01 29.80 2k28 s GLN 58 CO 0.32 -0.45 0.10 -1.83 -1.32 0.00 0.00 175.29 172.11 2k28 s GLU 59 N -3.91 2.74 0.00 9.60 -1.05 -1.26 -4.84 118.70 119.98 2k28 s GLU 59 Ca 0.62 -0.98 0.03 0.00 -0.15 0.00 0.00 54.97 54.48 2k28 s GLU 59 Cb -0.13 -2.54 0.02 0.00 -0.44 0.00 0.00 34.13 31.05 2k28 s GLU 59 CO 0.31 0.46 0.60 1.04 0.95 0.00 0.00 175.26 178.62