#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 6.39 0.00 1.61 0.15 -1.26 -4.65 113.70 115.94 2k28 s SER 2 Ca 0.00 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2k28 s SER 2 Cb 0.00 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 2k28 s SER 2 CO 0.00 0.34 0.00 1.21 1.20 0.00 0.00 173.24 175.99 2k28 n GLU 3 N 1.49 0.00 -2.20 5.44 2.13 -1.26 -4.86 120.64 121.39 2k28 n GLU 3 Ca -0.16 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.35 2k28 n GLU 3 Cb 0.54 -0.05 -0.05 0.00 0.27 0.00 0.00 31.44 32.15 2k28 n GLU 3 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2k28 s HIS 4 N 0.00 2.15 0.13 4.31 3.76 -1.26 -4.94 115.29 119.44 2k28 s HIS 4 Ca 0.00 -0.04 -0.22 0.00 -0.15 0.00 0.00 55.06 54.65 2k28 s HIS 4 Cb 0.00 -4.19 -0.07 0.00 1.11 0.00 0.00 32.58 29.43 2k28 s HIS 4 CO 0.00 -1.37 0.68 0.14 -0.85 0.00 0.00 174.74 173.34 2k28 s VAL 5 N 9.31 4.55 -0.62 -0.90 -7.23 -1.26 -4.64 120.40 119.60 2k28 s VAL 5 Ca 0.65 1.46 -0.07 0.00 -1.81 0.00 0.00 61.98 62.21 2k28 s VAL 5 Cb 0.00 -4.01 0.16 0.00 0.56 0.00 0.00 36.38 33.09 2k28 s VAL 5 CO 0.11 0.52 0.47 -0.36 -0.31 0.00 0.00 175.10 175.53 2k28 s PHE 6 N -1.16 3.50 -0.04 2.82 0.40 -1.26 -4.62 117.98 117.62 2k28 s PHE 6 Ca 0.33 -2.36 0.01 0.00 -0.60 0.00 0.00 56.93 54.31 2k28 s PHE 6 Cb -0.21 -3.40 0.02 0.00 0.51 0.00 0.00 43.02 39.94 2k28 s PHE 6 CO 0.23 -0.92 -0.02 0.00 0.70 0.00 0.00 175.22 175.21 2k28 s ALA 7 N 0.37 0.50 0.31 5.36 0.00 -1.26 -5.03 121.76 122.02 2k28 s ALA 7 Ca 0.14 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 2k28 s ALA 7 Cb -0.19 -0.39 -0.10 0.00 0.00 0.00 0.00 23.12 22.43 2k28 s ALA 7 CO -0.04 -0.07 1.18 0.08 0.00 0.00 0.00 175.76 176.91 2k28 s VAL 8 N 1.03 3.17 -0.16 0.00 1.01 -1.26 -1.15 120.40 123.03 2k28 s VAL 8 Ca -0.09 1.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 2k28 s VAL 8 Cb -0.14 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 2k28 s VAL 8 CO -0.01 0.26 -0.10 1.21 0.00 0.00 0.00 175.10 176.46 2k28 n GLU 9 N 0.94 0.49 -3.86 2.72 4.07 0.26 -4.85 120.64 120.41 2k28 n GLU 9 Ca -0.00 0.51 -0.02 0.00 -0.06 0.00 0.00 57.16 57.59 2k28 n GLU 9 Cb 0.44 -1.69 0.01 0.00 -0.06 0.00 0.00 31.44 30.14 2k28 n GLU 9 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2k28 s SER 10 N -6.06 -0.02 -0.26 4.31 1.04 -1.26 -4.53 113.70 106.92 2k28 s SER 10 Ca -0.20 -0.57 -0.12 0.00 0.48 0.00 0.00 55.95 55.54 2k28 s SER 10 Cb 0.03 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 2k28 s SER 10 CO 0.33 -0.89 0.25 -0.63 0.98 0.00 0.00 173.24 173.28 2k28 s ILE 11 N -2.33 5.28 -0.10 -1.02 1.01 -1.23 -2.20 121.20 120.60 2k28 s ILE 11 Ca 0.21 0.32 -0.02 0.00 0.00 0.00 0.00 60.65 61.16 2k28 s ILE 11 Cb -0.02 -3.58 -0.25 0.00 0.01 0.00 0.00 42.46 38.61 2k28 s ILE 11 CO 0.04 0.25 0.44 -0.62 0.00 0.00 0.00 174.94 175.04 2k28 n GLU 12 N 4.91 0.73 -4.03 2.79 -0.58 0.01 -4.32 120.64 120.16 2k28 n GLU 12 Ca -0.12 0.27 -0.08 0.00 -0.42 0.00 0.00 57.16 56.80 2k28 n GLU 12 Cb 0.52 -1.73 -0.11 0.00 -0.57 0.00 0.00 31.44 29.55 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 -2.57 0.44 -0.02 3.49 1.02 -1.26 -4.98 119.74 115.87 2k28 s LYS 13 Ca -0.18 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 54.98 2k28 s LYS 13 Cb 0.07 0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 2k28 s LYS 13 CO 0.78 -0.07 -0.12 0.21 -0.92 0.00 0.00 175.35 175.23 2k28 s LYS 14 N -2.46 1.09 0.02 1.68 2.47 -1.26 -2.54 119.74 118.74 2k28 s LYS 14 Ca -0.06 -0.44 -0.27 0.00 -1.56 0.00 0.00 55.97 53.63 2k28 s LYS 14 Cb -0.03 -1.03 0.09 0.00 -1.46 0.00 0.00 37.83 35.40 2k28 s LYS 14 CO -0.05 0.23 0.78 -0.98 0.16 0.00 0.00 175.35 175.50 2k28 s ARG 15 N -0.15 0.97 -0.07 4.03 3.03 -1.23 -5.09 118.95 120.43 2k28 s ARG 15 Ca 0.02 -0.21 0.02 0.00 2.03 0.00 0.00 55.73 57.59 2k28 s ARG 15 Cb -0.06 0.45 0.01 0.00 -1.03 0.00 0.00 34.95 34.32 2k28 s ARG 15 CO -0.00 -0.39 -0.14 0.42 -1.13 0.00 0.00 175.30 174.06 2k28 s ILE 16 N -2.77 1.26 -0.04 4.99 1.01 -1.26 -2.84 121.20 121.55 2k28 s ILE 16 Ca 0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 2k28 s ILE 16 Cb -0.01 -1.15 0.03 0.00 0.01 0.00 0.00 42.46 41.34 2k28 s ILE 16 CO -0.06 0.38 0.02 -0.60 0.00 0.00 0.00 174.94 174.68 2k28 s ARG 17 N 0.68 0.24 -1.54 2.79 3.52 -0.87 -4.86 118.95 118.91 2k28 s ARG 17 Ca -0.14 0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 2k28 s ARG 17 Cb -0.16 -0.57 0.00 0.00 -1.56 0.00 0.00 34.95 32.66 2k28 s ARG 17 CO 0.04 -0.22 0.00 1.63 -0.81 0.00 0.00 175.30 175.94 2k28 n LYS 18 N 4.64 -1.22 -0.92 5.12 5.02 -1.26 -1.79 118.16 127.75 2k28 n LYS 18 Ca -0.17 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 2k28 n LYS 18 Cb 0.50 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 2k28 n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k28 n GLY 19 N -1.00 0.52 3.33 0.72 0.00 -1.26 -5.04 105.19 102.46 2k28 n GLY 19 Ca -0.18 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.42 3.23 -0.08 1.61 1.81 -0.74 -5.10 118.95 119.26 2k28 s ARG 20 Ca 0.00 -0.74 -0.15 0.00 -1.72 0.00 0.00 55.73 53.12 2k28 s ARG 20 Cb 0.00 -3.20 -0.05 0.00 -0.45 0.00 0.00 34.95 31.25 2k28 s ARG 20 CO 0.00 -0.32 0.38 0.54 -0.68 0.00 0.00 175.30 175.22 2k28 s VAL 21 N 1.49 5.16 0.01 3.52 0.11 -1.26 -2.05 120.40 127.38 2k28 s VAL 21 Ca 0.04 0.76 -0.01 0.00 -2.93 0.00 0.00 61.98 59.84 2k28 s VAL 21 Cb -0.16 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 30.98 2k28 s VAL 21 CO -0.00 0.47 -0.00 -1.83 -3.33 0.00 0.00 175.10 170.41 2k28 s GLU 22 N -0.28 0.25 0.01 1.54 -1.05 -1.13 -3.42 118.70 114.62 2k28 s GLU 22 Ca 0.22 -0.43 0.05 0.00 -0.15 0.00 0.00 54.97 54.66 2k28 s GLU 22 Cb -0.15 0.09 -0.02 0.00 -0.44 0.00 0.00 34.13 33.62 2k28 s GLU 22 CO 0.10 -0.04 -0.17 0.71 0.95 0.00 0.00 175.26 176.81 2k28 s TYR 23 N -1.08 1.47 -0.30 4.83 2.02 -0.26 -3.52 117.35 120.51 2k28 s TYR 23 Ca -0.12 -0.30 -0.23 0.00 -0.37 0.00 0.00 57.07 56.04 2k28 s TYR 23 Cb -0.07 -0.92 -0.00 0.00 -0.40 0.00 0.00 41.96 40.57 2k28 s TYR 23 CO -0.01 0.01 0.79 -1.17 -1.57 0.00 0.00 175.55 173.60 2k28 s LEU 24 N -0.64 4.08 -0.13 -1.29 2.96 -1.05 -0.80 118.68 121.81 2k28 s LEU 24 Ca 0.06 0.69 -0.17 0.00 -0.22 0.00 0.00 54.13 54.49 2k28 s LEU 24 Cb -0.07 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 2k28 s LEU 24 CO 0.00 -0.61 0.42 0.68 -1.32 0.00 0.00 176.35 175.52 2k28 s VAL 25 N 2.95 5.22 -0.30 1.68 -7.23 -0.82 -0.81 120.40 121.10 2k28 s VAL 25 Ca 0.33 0.82 -0.23 0.00 -1.81 0.00 0.00 61.98 61.08 2k28 s VAL 25 Cb -0.14 -3.76 -0.00 0.00 0.56 0.00 0.00 36.38 33.04 2k28 s VAL 25 CO 0.12 0.35 0.77 -0.75 -0.31 0.00 0.00 175.10 175.29 2k28 s LYS 26 N 0.53 3.98 -0.10 4.82 2.36 -0.93 -3.63 119.74 126.77 2k28 s LYS 26 Ca 0.23 0.59 -0.27 0.00 -2.55 0.00 0.00 55.97 53.97 2k28 s LYS 26 Cb -0.14 -3.72 -0.02 0.00 -1.05 0.00 0.00 37.83 32.90 2k28 s LYS 26 CO 0.08 -0.64 0.90 -1.58 1.55 0.00 0.00 175.35 175.66 2k28 s TRP 27 N 2.90 3.52 0.30 4.03 0.52 -1.26 -0.57 118.94 128.37 2k28 s TRP 27 Ca 0.32 1.46 -0.29 0.00 0.02 0.00 0.00 56.10 57.61 2k28 s TRP 27 Cb -0.14 -3.07 -0.10 0.00 -1.15 0.00 0.00 33.47 29.01 2k28 s TRP 27 CO 0.12 -0.14 1.14 1.03 0.02 0.00 0.00 176.95 179.11 2k28 s ARG 28 N 1.68 4.55 0.00 4.98 0.52 -0.30 -2.49 118.95 127.89 2k28 s ARG 28 Ca 0.44 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.52 2k28 s ARG 28 Cb -0.18 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.17 2k28 s ARG 28 CO 0.18 0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.02 2k28 n GLY 29 N 1.06 1.29 3.47 -3.53 0.00 -1.26 -4.52 105.19 101.71 2k28 n GLY 29 Ca -0.00 0.00 -0.23 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 -3.31 2.06 0.38 1.61 0.52 -1.04 -4.96 118.94 114.19 2k28 s TRP 30 Ca 0.00 -0.86 -0.05 0.00 0.02 0.00 0.00 56.10 55.21 2k28 s TRP 30 Cb 0.00 -1.34 -0.05 0.00 -1.15 0.00 0.00 33.47 30.93 2k28 s TRP 30 CO 0.00 0.14 0.66 -1.54 0.02 0.00 0.00 176.95 176.22 2k28 s SER 31 N -3.52 6.38 0.00 2.95 1.04 -1.26 -4.83 113.70 114.46 2k28 s SER 31 Ca 0.35 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.58 2k28 s SER 31 Cb 0.08 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 64.02 2k28 s SER 31 CO 0.15 -0.36 0.38 -0.81 0.98 0.00 0.00 173.24 173.58 2k28 n PRO 32 N -1.55 0.75 0.06 4.02 -0.04 -1.26 -1.71 135.00 135.27 2k28 n PRO 32 Ca -0.01 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.52 2k28 n PRO 32 Cb 0.55 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.13 0.62 -0.22 0.54 2.85 -1.26 -4.08 118.16 116.75 2k28 n LYS 33 Ca 0.00 0.10 0.03 0.00 -1.05 0.00 0.00 58.31 57.39 2k28 n LYS 33 Cb 0.19 -1.77 0.12 0.00 -0.65 0.00 0.00 35.03 32.93 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 -2.69 0.52 -0.61 5.58 4.01 -0.70 -4.95 117.16 118.33 2k28 n TYR 34 Ca -0.05 -0.20 -0.29 0.00 -0.16 0.00 0.00 57.90 57.20 2k28 n TYR 34 Cb 0.67 -0.13 0.23 0.00 -0.31 0.00 0.00 39.34 39.80 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 -0.59 1.51 -0.01 7.72 4.22 -1.26 -4.81 114.94 121.72 2k28 s ASN 35 Ca 0.17 1.67 -0.04 0.00 -2.14 0.00 0.00 52.86 52.52 2k28 s ASN 35 Cb 0.11 -2.36 -0.00 0.00 1.28 0.00 0.00 41.25 40.29 2k28 s ASN 35 CO 0.08 -3.90 0.09 0.42 -2.04 0.00 0.00 177.10 171.75 2k28 s THR 36 N -2.53 0.06 -0.57 0.54 -4.23 -1.24 -5.03 115.64 102.64 2k28 s THR 36 Ca 0.68 -0.48 -0.27 0.00 -1.18 0.00 0.00 61.69 60.44 2k28 s THR 36 Cb -0.24 -0.29 0.03 0.00 1.34 0.00 0.00 72.50 73.35 2k28 s THR 36 CO 0.63 -0.27 1.10 0.26 -0.54 0.00 0.00 174.62 175.80 2k28 s TRP 37 N -0.86 2.67 -0.14 3.99 0.52 -1.26 -1.94 118.94 121.92 2k28 s TRP 37 Ca -0.09 0.23 -0.03 0.00 0.02 0.00 0.00 56.10 56.22 2k28 s TRP 37 Cb -0.06 -4.35 -0.03 0.00 -1.15 0.00 0.00 33.47 27.89 2k28 s TRP 37 CO 0.00 -1.51 -0.04 -1.21 0.02 0.00 0.00 176.95 174.21 2k28 s GLU 38 N 4.59 3.51 1.08 4.98 0.41 0.02 -4.88 118.70 128.41 2k28 s GLU 38 Ca 0.38 -0.51 -0.12 0.00 -0.41 0.00 0.00 54.97 54.30 2k28 s GLU 38 Cb -0.09 -2.86 0.23 0.00 -1.78 0.00 0.00 34.13 29.63 2k28 s GLU 38 CO 0.23 0.33 1.06 -1.25 -0.49 0.00 0.00 175.26 175.14 2k28 s PRO 39 N 0.12 -0.22 0.37 0.39 0.04 -1.26 -1.11 135.00 133.33 2k28 s PRO 39 Ca -0.01 0.89 0.17 0.00 0.04 0.00 0.00 61.00 62.08 2k28 s PRO 39 Cb -0.14 -1.63 0.73 0.00 0.04 0.00 0.00 34.50 33.50 2k28 s PRO 39 CO 0.03 -3.27 1.78 1.49 0.04 0.00 0.00 177.00 177.07 2k28 h GLU 40 N -2.30 0.00 0.00 4.56 4.81 -1.89 -2.00 114.58 117.76 2k28 h GLU 40 Ca -0.57 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2k28 h GLU 40 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2k28 h GLU 40 CO 0.51 0.38 0.00 -0.85 -0.73 0.00 0.00 179.01 178.32 2k28 n GLU 41 N -3.76 0.06 -0.05 1.92 0.28 -1.26 -1.82 120.64 116.00 2k28 n GLU 41 Ca -0.01 0.34 -0.20 0.00 -0.16 0.00 0.00 57.16 57.14 2k28 n GLU 41 Cb 0.46 -1.62 -0.13 0.00 1.43 0.00 0.00 31.44 31.58 2k28 n GLU 41 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2k28 n ASN 42 N -1.72 2.01 -4.53 -1.84 2.85 -0.79 -4.78 115.26 106.46 2k28 n ASN 42 Ca 0.02 0.08 -0.43 0.00 -0.11 0.00 0.00 54.58 54.14 2k28 n ASN 42 Cb 0.16 -0.64 -0.01 0.00 1.24 0.00 0.00 39.78 40.52 2k28 n ASN 42 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k28 s ILE 43 N -2.54 4.31 -2.33 -1.44 -1.09 -0.76 -4.72 121.20 112.64 2k28 s ILE 43 Ca -0.27 -1.65 0.24 0.00 -2.23 0.00 0.00 60.65 56.75 2k28 s ILE 43 Cb 0.08 -5.04 0.15 0.00 -1.58 0.00 0.00 42.46 36.06 2k28 s ILE 43 CO 0.71 -1.85 1.28 0.18 -1.23 0.00 0.00 174.94 174.03 2k28 n LEU 44 N 7.78 2.11 -4.58 2.97 7.99 -1.26 -4.87 117.00 127.14 2k28 n LEU 44 Ca 0.38 -0.73 -0.41 0.00 -0.01 0.00 0.00 56.01 55.25 2k28 n LEU 44 Cb 0.47 -0.02 -0.08 0.00 -0.11 0.00 0.00 43.42 43.69 2k28 n LEU 44 CO 0.67 0.37 0.22 -0.62 -1.51 0.00 0.00 177.39 176.52 2k28 s ASP 45 N -2.29 6.34 0.55 -1.43 2.15 -1.26 -4.97 116.67 115.76 2k28 s ASP 45 Ca 0.24 0.14 0.29 0.00 0.43 0.00 0.00 52.55 53.65 2k28 s ASP 45 Cb 0.19 -2.27 1.62 0.00 -0.30 0.00 0.00 42.92 42.17 2k28 s ASP 45 CO 0.46 -0.40 2.15 1.55 -0.17 0.00 0.00 175.17 178.76 2k28 h PRO 46 N 8.32 0.00 -0.95 4.34 0.13 -1.99 -2.87 132.00 138.98 2k28 h PRO 46 Ca -0.28 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.86 2k28 h PRO 46 Cb 1.13 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 2k28 h PRO 46 CO 0.74 0.07 0.63 0.00 -0.23 0.00 0.00 178.00 179.21 2k28 h ARG 47 N 0.00 1.23 -0.18 0.86 2.47 -1.96 -0.29 114.38 116.50 2k28 h ARG 47 Ca -0.00 -0.07 -0.17 0.00 -1.26 0.00 0.00 59.98 58.48 2k28 h ARG 47 Cb 0.20 -0.28 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 2k28 h ARG 47 CO 0.01 0.81 -0.58 -0.07 0.56 0.00 0.00 179.97 180.70 2k28 h LEU 48 N 1.26 0.66 -0.90 3.04 3.38 -1.74 -3.20 115.31 117.82 2k28 h LEU 48 Ca 0.36 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2k28 h LEU 48 Cb -0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2k28 h LEU 48 CO -0.09 1.10 -0.35 -0.07 0.09 0.00 0.00 178.44 179.12 2k28 h LEU 49 N 0.44 0.00 -0.06 1.67 3.38 -1.36 -3.05 115.31 116.33 2k28 h LEU 49 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2k28 h LEU 49 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2k28 h LEU 49 CO 0.11 0.35 0.02 0.40 0.09 0.00 0.00 178.44 179.40 2k28 h ILE 50 N 0.00 0.98 -0.70 1.22 2.04 -1.06 -1.87 117.51 118.13 2k28 h ILE 50 Ca -0.00 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 2k28 h ILE 50 Cb 0.90 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 2k28 h ILE 50 CO 0.05 0.01 0.17 0.00 0.00 0.00 0.00 178.15 178.37 2k28 h ALA 51 N 1.04 0.92 -0.04 1.87 0.00 -1.69 -3.09 119.26 118.26 2k28 h ALA 51 Ca 0.02 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2k28 h ALA 51 Cb 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2k28 h ALA 51 CO -0.03 0.64 -0.21 0.35 0.00 0.00 0.00 179.25 180.00 2k28 h PHE 52 N 1.05 -0.55 -0.10 0.00 3.57 -1.39 0.42 116.94 119.93 2k28 h PHE 52 Ca 0.22 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 2k28 h PHE 52 Cb 0.37 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2k28 h PHE 52 CO 0.03 -0.29 -0.27 1.96 -2.23 0.00 0.00 178.31 177.50 2k28 h GLN 53 N -0.31 0.18 -0.07 1.11 4.20 -1.33 -1.51 115.11 117.38 2k28 h GLN 53 Ca 0.07 -0.06 -0.25 0.00 0.06 0.00 0.00 58.65 58.47 2k28 h GLN 53 Cb 0.41 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.19 2k28 h GLN 53 CO -0.22 0.45 -0.93 -0.91 -0.67 0.00 0.00 178.83 176.54 2k28 h ASN 54 N 0.16 0.92 0.57 1.46 2.35 -1.45 -3.35 115.58 116.25 2k28 h ASN 54 Ca 0.02 -0.68 -0.09 0.00 -0.55 0.00 0.00 56.30 55.01 2k28 h ASN 54 Cb 0.57 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2k28 h ASN 54 CO 0.04 1.48 -0.42 -0.09 -1.65 0.00 0.00 177.43 176.79 2k28 h ARG 55 N 0.46 0.00 0.00 0.81 1.12 0.06 -2.40 114.38 114.42 2k28 h ARG 55 Ca -0.10 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.76 2k28 h ARG 55 Cb 1.57 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.53 2k28 h ARG 55 CO 0.19 0.42 -0.07 0.93 -3.11 0.00 0.00 179.97 178.32 2k28 h GLU 56 N 0.00 0.00 -0.01 0.20 5.08 -1.48 -1.48 114.58 116.89 2k28 h GLU 56 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k28 h GLU 56 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2k28 h GLU 56 CO 0.05 0.07 -0.50 -2.13 -1.00 0.00 0.00 179.01 175.50 2k28 n ARG 57 N -4.17 1.20 -3.00 2.33 0.63 -0.94 -4.85 116.66 107.86 2k28 n ARG 57 Ca -0.03 -0.90 -0.40 0.00 -0.92 0.00 0.00 57.85 55.61 2k28 n ARG 57 Cb 0.15 -1.45 -0.06 0.00 0.45 0.00 0.00 32.46 31.55 2k28 n ARG 57 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2k28 s GLN 58 N -2.44 4.52 -1.02 -0.14 -1.52 -0.56 -3.18 119.66 115.32 2k28 s GLN 58 Ca 0.17 1.10 -0.01 0.00 -1.95 0.00 0.00 55.36 54.66 2k28 s GLN 58 Cb 0.17 -3.31 0.00 0.00 -0.22 0.00 0.00 33.01 29.66 2k28 s GLN 58 CO 0.57 0.45 0.17 -1.91 -0.25 0.00 0.00 175.29 174.32 2k28 n GLU 59 N 2.14 -1.94 0.00 2.91 0.00 -1.26 -4.93 120.64 117.56 2k28 n GLU 59 Ca -0.04 0.59 0.09 0.00 0.00 0.00 0.00 57.16 57.79 2k28 n GLU 59 Cb 0.49 -4.75 0.54 0.00 0.00 0.00 0.00 31.44 27.72 2k28 n GLU 59 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07