#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k23 n ASP 2 N 0.00 0.85 -4.45 1.08 2.03 -1.26 -5.09 116.55 109.72 2k23 n ASP 2 Ca 0.00 -2.95 -0.32 0.00 0.52 0.00 0.00 54.79 52.04 2k23 n ASP 2 Cb 0.00 -0.50 -0.13 0.00 -0.72 0.00 0.00 41.12 39.77 2k23 n ASP 2 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2k23 s SER 3 N -2.55 3.83 0.62 1.67 0.15 -1.26 -5.12 113.70 111.05 2k23 s SER 3 Ca 0.36 -0.32 -0.16 0.00 0.70 0.00 0.00 55.95 56.52 2k23 s SER 3 Cb 0.38 -0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 63.97 2k23 s SER 3 CO -0.05 0.30 1.12 0.28 1.20 0.00 0.00 173.24 176.09 2k23 s THR 4 N -0.81 3.19 -1.04 6.45 -1.32 -1.26 -4.92 115.64 115.93 2k23 s THR 4 Ca 0.13 0.62 -0.16 0.00 -1.21 0.00 0.00 61.69 61.07 2k23 s THR 4 Cb -0.10 -3.16 0.17 0.00 -1.51 0.00 0.00 72.50 67.90 2k23 s THR 4 CO 0.03 -0.28 1.21 0.00 -2.21 0.00 0.00 174.62 173.36 2k23 s GLN 5 N -3.82 3.84 -0.04 7.08 -2.07 -1.26 -4.97 119.66 118.42 2k23 s GLN 5 Ca 0.69 -2.27 -0.25 0.00 -1.82 0.00 0.00 55.36 51.71 2k23 s GLN 5 Cb -0.22 -4.89 -0.12 0.00 -1.09 0.00 0.00 33.01 26.69 2k23 s GLN 5 CO 0.37 -1.68 0.70 0.09 -1.32 0.00 0.00 175.29 173.45 2k23 n ASN 6 N 5.62 0.10 -4.71 12.60 3.02 -1.26 -4.84 115.26 125.79 2k23 n ASN 6 Ca 0.28 0.71 -0.40 0.00 -0.03 0.00 0.00 54.58 55.13 2k23 n ASN 6 Cb 0.46 -0.56 0.02 0.00 -0.61 0.00 0.00 39.78 39.09 2k23 n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k23 n LEU 7 N 1.12 4.31 -4.77 3.41 -0.00 -1.26 -4.97 117.00 114.85 2k23 n LEU 7 Ca 0.13 1.07 -0.39 0.00 -0.00 0.00 0.00 56.01 56.82 2k23 n LEU 7 Cb 0.04 -1.51 -0.03 0.00 -0.00 0.00 0.00 43.42 41.91 2k23 n LEU 7 CO 0.40 -0.69 0.83 -0.63 -0.00 0.00 0.00 177.39 177.29 2k23 s ILE 8 N -1.24 3.30 0.00 1.47 1.01 -1.26 -4.70 121.20 119.78 2k23 s ILE 8 Ca 0.64 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.48 2k23 s ILE 8 Cb -0.48 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.28 2k23 s ILE 8 CO 0.56 0.20 0.00 -2.65 0.00 0.00 0.00 174.94 173.04 2k23 n PRO 9 N 0.59 0.00 -2.59 2.79 -0.02 -1.26 -4.74 135.00 129.78 2k23 n PRO 9 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 2k23 n PRO 9 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.91 2k23 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k23 s ALA 10 N 0.00 3.05 0.04 3.55 0.00 -1.26 -4.64 121.76 122.49 2k23 s ALA 10 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 2k23 s ALA 10 Cb 0.00 -3.99 -0.06 0.00 0.00 0.00 0.00 23.12 19.07 2k23 s ALA 10 CO 0.00 -2.54 0.42 -1.25 0.00 0.00 0.00 175.76 172.39 2k23 s PRO 11 N 4.80 3.88 0.80 0.00 0.05 -1.26 -5.10 135.00 138.17 2k23 s PRO 11 Ca 0.45 0.35 -0.12 0.00 0.05 0.00 0.00 61.00 61.73 2k23 s PRO 11 Cb -0.07 -3.12 0.07 0.00 0.05 0.00 0.00 34.50 31.43 2k23 s PRO 11 CO 0.28 0.63 1.12 -2.14 0.05 0.00 0.00 177.00 176.93 2k23 s PRO 12 N -1.42 2.02 0.30 0.56 0.02 -1.26 -4.94 135.00 130.28 2k23 s PRO 12 Ca 0.28 0.47 0.03 0.00 0.02 0.00 0.00 61.00 61.80 2k23 s PRO 12 Cb -0.16 -1.93 0.76 0.00 0.02 0.00 0.00 34.50 33.20 2k23 s PRO 12 CO 0.15 -1.62 1.62 1.25 -0.33 0.00 0.00 177.00 178.07 2k23 h LEU 13 N -1.08 -0.12 0.00 -5.54 7.12 -1.96 -0.84 115.31 112.88 2k23 h LEU 13 Ca -0.47 0.22 0.00 0.00 0.13 0.00 0.00 57.88 57.76 2k23 h LEU 13 Cb 1.29 0.33 0.00 0.00 -0.53 0.00 0.00 40.66 41.75 2k23 h LEU 13 CO 0.62 -0.23 0.00 2.30 -0.13 0.00 0.00 178.44 180.99 2k23 n ILE 14 N -5.31 0.56 0.15 4.05 -0.00 -1.26 -0.52 119.36 117.03 2k23 n ILE 14 Ca 0.23 0.14 0.06 0.00 -0.00 0.00 0.00 62.75 63.18 2k23 n ILE 14 Cb 0.74 -0.97 0.06 0.00 -0.00 0.00 0.00 39.64 39.47 2k23 n ILE 14 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2k23 h SER 15 N 0.00 0.00 -3.05 7.28 0.02 -1.51 -3.45 113.55 112.83 2k23 h SER 15 Ca 0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 2k23 h SER 15 Cb 0.07 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.53 2k23 h SER 15 CO 0.00 0.29 -0.30 0.54 -1.14 0.00 0.00 176.83 176.22 2k23 s VAL 16 N -3.08 5.23 0.61 2.27 0.11 0.32 -5.04 120.40 120.82 2k23 s VAL 16 Ca 0.04 0.62 -0.15 0.00 -2.93 0.00 0.00 61.98 59.55 2k23 s VAL 16 Cb 0.07 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 2k23 s VAL 16 CO 0.73 0.51 1.07 -2.84 -3.33 0.00 0.00 175.10 171.23 2k23 s PRO 17 N -0.43 3.21 0.10 1.54 0.02 -1.26 -5.00 135.00 133.19 2k23 s PRO 17 Ca 0.20 1.23 0.04 0.00 0.02 0.00 0.00 61.00 62.49 2k23 s PRO 17 Cb -0.14 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 2k23 s PRO 17 CO 0.08 -0.90 0.06 -1.17 -0.33 0.00 0.00 177.00 174.74 2k23 s LEU 18 N -4.59 3.68 0.42 -5.54 2.96 -1.26 -3.08 118.68 111.27 2k23 s LEU 18 Ca 0.64 -0.10 -0.25 0.00 -0.22 0.00 0.00 54.13 54.20 2k23 s LEU 18 Cb -0.17 -2.36 -0.08 0.00 0.50 0.00 0.00 46.19 44.08 2k23 s LEU 18 CO 0.38 0.15 1.27 0.00 -1.32 0.00 0.00 176.35 176.83 2k23 s GLN 19 N -2.52 3.88 -0.06 1.98 0.00 -0.92 -4.81 119.66 117.20 2k23 s GLN 19 Ca 0.28 2.06 -0.27 0.00 -0.00 0.00 0.00 55.36 57.43 2k23 s GLN 19 Cb -0.11 -2.65 -0.03 0.00 0.00 0.00 0.00 33.01 30.21 2k23 s GLN 19 CO 0.21 -0.53 0.88 -1.25 0.00 0.00 0.00 175.29 174.60 2k23 s PRO 20 N -2.37 4.46 -0.62 9.60 0.04 -1.26 -4.32 135.00 140.54 2k23 s PRO 20 Ca 0.59 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 2k23 s PRO 20 Cb -0.36 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 30.67 2k23 s PRO 20 CO 0.45 -0.10 0.53 0.41 0.04 0.00 0.00 177.00 178.33 2k23 n GLY 21 N 3.08 -0.18 3.75 0.56 0.00 -1.26 -4.99 105.19 106.14 2k23 n GLY 21 Ca 0.04 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2k23 n GLY 21 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k23 s PHE 22 N -3.21 3.87 0.07 1.61 5.36 -1.26 -5.07 117.98 119.35 2k23 s PHE 22 Ca 0.18 1.75 0.02 0.00 -0.96 0.00 0.00 56.93 57.92 2k23 s PHE 22 Cb -0.02 -2.94 -0.03 0.00 -0.34 0.00 0.00 43.02 39.69 2k23 s PHE 22 CO 0.41 0.35 -0.08 -0.46 -1.46 0.00 0.00 175.22 173.98 2k23 s TRP 23 N -0.57 0.84 0.13 10.12 -0.00 -1.26 -5.02 118.94 123.17 2k23 s TRP 23 Ca 0.42 -0.67 -0.31 0.00 -0.00 0.00 0.00 56.10 55.54 2k23 s TRP 23 Cb -0.24 -0.48 -0.08 0.00 -0.00 0.00 0.00 33.47 32.67 2k23 s TRP 23 CO 0.29 -0.09 1.57 1.79 -0.00 0.00 0.00 176.95 180.51 2k23 h THR 24 N 3.79 0.10 0.00 5.86 1.35 -1.99 -2.12 112.91 119.90 2k23 h THR 24 Ca -0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 2k23 h THR 24 Cb 1.19 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2k23 h THR 24 CO 0.51 0.00 -0.02 -0.08 -0.25 0.00 0.00 175.52 175.68 2k23 h GLU 25 N -0.53 0.00 0.00 4.72 4.81 -1.97 -2.12 114.58 119.48 2k23 h GLU 25 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2k23 h GLU 25 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2k23 h GLU 25 CO -0.40 0.02 0.00 0.54 -0.73 0.00 0.00 179.01 178.44 2k23 n ARG 26 N -3.13 0.08 -0.19 1.92 5.12 -0.80 -2.14 116.66 117.51 2k23 n ARG 26 Ca 0.00 0.15 0.09 0.00 -1.93 0.00 0.00 57.85 56.16 2k23 n ARG 26 Cb 0.31 -1.50 0.16 0.00 -1.16 0.00 0.00 32.46 30.27 2k23 n ARG 26 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2k23 n PHE 27 N -1.44 0.00 -4.30 -1.55 7.35 -0.80 -4.85 117.46 111.88 2k23 n PHE 27 Ca 0.06 -1.11 -0.35 0.00 -0.76 0.00 0.00 57.45 55.28 2k23 n PHE 27 Cb 0.21 -0.17 -0.09 0.00 0.35 0.00 0.00 39.48 39.77 2k23 n PHE 27 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2k23 s GLN 28 N -2.96 3.12 0.00 -4.13 0.74 -0.91 -4.65 119.66 110.87 2k23 s GLN 28 Ca 0.33 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.37 2k23 s GLN 28 Cb 0.30 -2.87 0.00 0.00 1.10 0.00 0.00 33.01 31.54 2k23 s GLN 28 CO 0.01 0.67 0.00 0.41 -0.55 0.00 0.00 175.29 175.83 2k23 n GLY 29 N 2.25 0.72 3.63 2.59 0.00 0.09 -4.96 105.19 109.52 2k23 n GLY 29 Ca -0.19 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 2k23 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k23 s ARG 30 N -1.17 4.07 -0.28 1.61 3.00 -1.26 -1.67 118.95 123.23 2k23 s ARG 30 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 55.73 56.47 2k23 s ARG 30 Cb 0.00 -3.69 0.05 0.00 0.00 0.00 0.00 34.95 31.32 2k23 s ARG 30 CO 0.00 -0.60 -0.05 -1.58 0.00 0.00 0.00 175.30 173.07 2k23 s TRP 31 N 2.90 3.27 0.07 -0.53 0.52 -0.90 -4.54 118.94 119.73 2k23 s TRP 31 Ca 0.33 -2.08 -0.22 0.00 0.02 0.00 0.00 56.10 54.15 2k23 s TRP 31 Cb -0.15 -2.04 -0.06 0.00 -1.15 0.00 0.00 33.47 30.07 2k23 s TRP 31 CO 0.10 -0.84 0.65 -0.06 0.02 0.00 0.00 176.95 176.82 2k23 s PHE 32 N 1.18 3.79 -0.25 -1.98 0.40 -0.99 -1.87 117.98 118.27 2k23 s PHE 32 Ca -0.07 1.37 -0.29 0.00 -0.60 0.00 0.00 56.93 57.34 2k23 s PHE 32 Cb -0.20 -2.63 0.00 0.00 0.51 0.00 0.00 43.02 40.70 2k23 s PHE 32 CO -0.03 0.47 1.14 0.08 0.70 0.00 0.00 175.22 177.58 2k23 s VAL 33 N -0.73 4.47 -0.29 -0.44 1.01 -1.11 -1.55 120.40 121.75 2k23 s VAL 33 Ca 0.32 1.74 0.12 0.00 0.00 0.00 0.00 61.98 64.16 2k23 s VAL 33 Cb -0.20 -4.24 -0.16 0.00 0.00 0.00 0.00 36.38 31.78 2k23 s VAL 33 CO 0.21 -0.29 0.39 0.52 0.00 0.00 0.00 175.10 175.93 2k23 n VAL 34 N 5.59 0.00 -3.56 2.92 0.31 0.10 -4.56 118.33 119.13 2k23 n VAL 34 Ca 0.13 -0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 64.10 2k23 n VAL 34 Cb 0.46 0.61 -0.02 0.00 -0.91 0.00 0.00 33.84 33.98 2k23 n VAL 34 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2k23 s GLY 35 N -2.77 -0.43 -0.21 2.92 0.00 -1.02 -2.70 107.32 103.10 2k23 s GLY 35 Ca 0.00 0.21 -0.20 0.00 0.00 0.00 0.00 44.72 44.73 2k23 s GLY 35 CO 0.50 0.03 0.57 -2.27 0.00 0.00 0.00 173.10 171.94 2k23 s LEU 36 N -2.80 -0.18 0.01 0.66 2.96 -0.73 -0.78 118.68 117.82 2k23 s LEU 36 Ca 0.04 1.15 0.02 0.00 -0.22 0.00 0.00 54.13 55.12 2k23 s LEU 36 Cb -0.02 1.95 -0.01 0.00 0.50 0.00 0.00 46.19 48.61 2k23 s LEU 36 CO -0.07 -0.20 -0.07 0.00 -1.32 0.00 0.00 176.35 174.69 2k23 s ALA 37 N 0.33 0.52 0.00 5.97 0.00 0.02 -0.16 121.76 128.44 2k23 s ALA 37 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2k23 s ALA 37 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2k23 s ALA 37 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.25 2k23 n GLY 38 N 2.46 3.70 0.24 0.00 0.00 0.15 0.64 105.19 112.39 2k23 n GLY 38 Ca -0.16 -0.75 0.15 0.00 0.00 0.00 0.00 46.02 45.27 2k23 n GLY 38 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k23 h ASN 39 N 0.00 0.00 0.03 1.61 7.08 -1.68 -0.98 115.58 121.64 2k23 h ASN 39 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k23 h ASN 39 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k23 h ASN 39 CO 0.00 0.00 -0.15 0.00 -2.08 0.00 0.00 177.43 175.20 2k23 n ALA 40 N -2.04 2.85 -1.88 4.14 0.00 -1.25 -4.92 120.51 117.40 2k23 n ALA 40 Ca 0.02 -0.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.49 2k23 n ALA 40 Cb 0.35 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 2k23 n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k23 s VAL 41 N -2.20 2.78 -1.18 0.00 1.01 -0.37 -4.90 120.40 115.55 2k23 s VAL 41 Ca 0.28 0.68 -0.22 0.00 0.00 0.00 0.00 61.98 62.72 2k23 s VAL 41 Cb 0.20 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 2k23 s VAL 41 CO 0.41 0.12 1.90 0.00 0.00 0.00 0.00 175.10 177.53 2k23 n GLN 42 N 2.08 1.89 -3.88 2.72 1.13 -1.26 -4.85 117.38 115.21 2k23 n GLN 42 Ca 0.05 -2.57 -0.34 0.00 -1.94 0.00 0.00 57.00 52.20 2k23 n GLN 42 Cb 0.41 -3.62 -0.13 0.00 0.11 0.00 0.00 30.24 27.01 2k23 n GLN 42 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2k23 s LYS 43 N 5.91 1.86 -0.20 -1.09 2.36 -1.26 -2.35 119.74 124.97 2k23 s LYS 43 Ca 0.65 -1.78 -0.16 0.00 -2.55 0.00 0.00 55.97 52.13 2k23 s LYS 43 Cb 0.02 -3.41 -0.10 0.00 -1.05 0.00 0.00 37.83 33.29 2k23 s LYS 43 CO 0.12 -0.98 -0.16 -0.85 1.55 0.00 0.00 175.35 175.03 2k23 n GLU 44 N 4.48 0.54 0.00 4.03 -0.00 -1.26 -4.80 120.64 123.62 2k23 n GLU 44 Ca -0.01 0.40 0.00 0.00 -0.00 0.00 0.00 57.16 57.55 2k23 n GLU 44 Cb 0.42 -1.60 0.00 0.00 -0.00 0.00 0.00 31.44 30.26 2k23 n GLU 44 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2k23 n ARG 45 N -4.44 0.00 0.00 3.44 1.85 -1.26 -5.03 116.66 111.23 2k23 n ARG 45 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.57 2k23 n ARG 45 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 2k23 n ARG 45 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2k23 n GLN 46 N -1.16 0.00 0.00 2.89 1.13 -1.26 -5.06 117.38 113.92 2k23 n GLN 46 Ca 0.00 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2k23 n GLN 46 Cb 0.00 -0.38 0.00 0.00 0.11 0.00 0.00 30.24 29.97 2k23 n GLN 46 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2k23 n SER 47 N -2.15 0.00 0.14 1.08 3.41 -1.26 -4.78 113.62 110.06 2k23 n SER 47 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2k23 n SER 47 Cb 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.22 2k23 n SER 47 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2k23 h ARG 48 N 0.00 0.10 -7.19 4.33 9.65 -1.92 -3.44 114.38 115.91 2k23 h ARG 48 Ca 0.00 -0.05 -0.50 0.00 -1.10 0.00 0.00 59.98 58.33 2k23 h ARG 48 Cb 0.00 -0.00 0.08 0.00 -1.39 0.00 0.00 29.97 28.65 2k23 h ARG 48 CO 0.00 0.51 0.38 0.12 2.80 0.00 0.00 179.97 183.78 2k23 s PHE 49 N -4.08 2.86 0.00 2.20 5.36 -0.99 -5.01 117.98 118.32 2k23 s PHE 49 Ca -0.03 1.53 -0.02 0.00 -0.96 0.00 0.00 56.93 57.44 2k23 s PHE 49 Cb 0.14 -3.07 -0.01 0.00 -0.34 0.00 0.00 43.02 39.74 2k23 s PHE 49 CO 0.75 -1.30 0.03 0.95 -1.46 0.00 0.00 175.22 174.19 2k23 s THR 50 N -2.38 0.06 0.39 0.12 -4.23 -1.26 -3.31 115.64 105.02 2k23 s THR 50 Ca 0.65 -0.46 -0.27 0.00 -1.18 0.00 0.00 61.69 60.43 2k23 s THR 50 Cb -0.18 -0.20 -0.09 0.00 1.34 0.00 0.00 72.50 73.37 2k23 s THR 50 CO 0.37 -0.25 1.34 0.00 -0.54 0.00 0.00 174.62 175.54 2k23 s MET 51 N -0.77 4.07 0.32 3.99 0.23 0.17 -4.72 119.30 122.59 2k23 s MET 51 Ca -0.08 2.25 0.03 0.00 -1.03 0.00 0.00 55.69 56.85 2k23 s MET 51 Cb -0.05 -2.86 -0.05 0.00 -1.53 0.00 0.00 34.83 30.34 2k23 s MET 51 CO -0.00 -0.44 0.10 1.52 -2.03 0.00 0.00 175.02 174.17 2k23 s TYR 52 N -1.21 1.74 -0.24 3.16 -0.85 -1.26 -4.39 117.35 114.30 2k23 s TYR 52 Ca 0.55 -1.17 -0.07 0.00 -0.52 0.00 0.00 57.07 55.85 2k23 s TYR 52 Cb -0.40 -1.07 -0.03 0.00 0.38 0.00 0.00 41.96 40.84 2k23 s TYR 52 CO 0.52 -0.25 0.08 -1.12 -1.52 0.00 0.00 175.55 173.26 2k23 s SER 53 N -3.45 5.24 -0.52 -0.18 0.01 -1.25 -2.77 113.70 110.78 2k23 s SER 53 Ca 0.34 -0.16 -0.16 0.00 1.31 0.00 0.00 55.95 57.28 2k23 s SER 53 Cb 0.06 -1.94 0.11 0.00 0.21 0.00 0.00 66.02 64.47 2k23 s SER 53 CO 0.15 -0.01 0.47 -0.89 0.41 0.00 0.00 173.24 173.37 2k23 s THR 54 N 1.47 5.21 -0.67 1.44 2.01 -0.78 -2.60 115.64 121.73 2k23 s THR 54 Ca 0.06 -1.34 -0.17 0.00 0.31 0.00 0.00 61.69 60.55 2k23 s THR 54 Cb -0.15 -4.27 0.15 0.00 0.01 0.00 0.00 72.50 68.24 2k23 s THR 54 CO 0.04 -0.77 0.69 -0.63 -0.69 0.00 0.00 174.62 173.26 2k23 s ILE 55 N 1.63 5.15 -0.54 1.82 -1.09 -0.99 -2.11 121.20 125.07 2k23 s ILE 55 Ca 0.04 -1.61 -0.28 0.00 -2.23 0.00 0.00 60.65 56.56 2k23 s ILE 55 Cb -0.28 -4.46 0.03 0.00 -1.58 0.00 0.00 42.46 36.17 2k23 s ILE 55 CO 0.04 -1.05 1.17 -0.31 -1.23 0.00 0.00 174.94 173.57 2k23 s TYR 56 N 1.65 2.68 -0.09 3.97 2.02 -0.67 -1.22 117.35 125.69 2k23 s TYR 56 Ca 0.12 0.51 0.03 0.00 -0.37 0.00 0.00 57.07 57.36 2k23 s TYR 56 Cb -0.21 -4.48 -0.01 0.00 -0.40 0.00 0.00 41.96 36.85 2k23 s TYR 56 CO -0.00 -1.47 -0.18 -2.00 -1.57 0.00 0.00 175.55 170.32 2k23 s GLU 57 N 4.77 2.97 0.35 -0.62 2.12 -0.93 -0.73 118.70 126.63 2k23 s GLU 57 Ca 0.45 -0.77 -0.27 0.00 0.36 0.00 0.00 54.97 54.73 2k23 s GLU 57 Cb -0.07 -2.41 -0.09 0.00 0.26 0.00 0.00 34.13 31.81 2k23 s GLU 57 CO 0.28 0.32 1.21 -0.51 -0.54 0.00 0.00 175.26 176.02 2k23 s LEU 58 N 0.03 4.34 0.00 2.70 2.01 -1.26 0.16 118.68 126.66 2k23 s LEU 58 Ca -0.07 2.46 0.03 0.00 0.01 0.00 0.00 54.13 56.56 2k23 s LEU 58 Cb -0.15 -3.82 0.03 0.00 0.01 0.00 0.00 46.19 42.26 2k23 s LEU 58 CO 0.05 -0.54 0.21 0.00 1.01 0.00 0.00 176.35 177.08 2k23 n GLN 59 N 0.53 1.05 0.26 1.70 6.02 -0.75 -4.79 117.38 121.39 2k23 n GLN 59 Ca 0.02 -2.03 0.09 0.00 -0.01 0.00 0.00 57.00 55.06 2k23 n GLN 59 Cb 0.44 0.26 0.67 0.00 1.02 0.00 0.00 30.24 32.64 2k23 n GLN 59 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 2k23 h GLU 60 N 0.00 0.00 -1.00 -1.09 4.11 -1.97 -3.12 114.58 111.51 2k23 h GLU 60 Ca -0.21 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.68 2k23 h GLU 60 Cb 0.75 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.57 2k23 h GLU 60 CO 0.33 0.04 -0.82 -3.47 0.07 0.00 0.00 179.01 175.16 2k23 n ASP 61 N -4.34 4.56 -0.51 3.06 2.03 -1.26 -4.93 116.55 115.17 2k23 n ASP 61 Ca -0.03 -3.61 -0.04 0.00 0.52 0.00 0.00 54.79 51.63 2k23 n ASP 61 Cb 0.12 -0.39 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 2k23 n ASP 61 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k23 n ASN 62 N -0.61 -2.47 -4.70 1.67 6.94 -1.18 -4.90 115.26 110.02 2k23 n ASN 62 Ca 0.39 0.09 -0.42 0.00 -0.02 0.00 0.00 54.58 54.62 2k23 n ASN 62 Cb 0.85 -2.01 -0.03 0.00 -2.36 0.00 0.00 39.78 36.23 2k23 n ASN 62 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2k23 s SER 63 N -1.22 7.23 -0.08 0.53 1.04 -1.26 -4.36 113.70 115.58 2k23 s SER 63 Ca 0.00 1.67 -0.19 0.00 0.48 0.00 0.00 55.95 57.91 2k23 s SER 63 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2k23 s SER 63 CO 0.00 -0.43 0.52 -0.31 0.98 0.00 0.00 173.24 174.01 2k23 s TYR 64 N 1.68 3.57 -0.60 5.02 2.02 0.26 -1.81 117.35 127.49 2k23 s TYR 64 Ca 0.52 1.01 -0.20 0.00 -0.37 0.00 0.00 57.07 58.03 2k23 s TYR 64 Cb -0.21 -2.57 0.09 0.00 -0.40 0.00 0.00 41.96 38.86 2k23 s TYR 64 CO 0.23 0.24 0.76 0.54 -1.57 0.00 0.00 175.55 175.75 2k23 s ASN 65 N 0.33 6.18 -0.18 2.29 2.20 0.12 0.14 114.94 126.03 2k23 s ASN 65 Ca 0.28 -1.28 -0.12 0.00 -0.94 0.00 0.00 52.86 50.80 2k23 s ASN 65 Cb -0.16 -2.33 -0.05 0.00 -2.00 0.00 0.00 41.25 36.71 2k23 s ASN 65 CO 0.13 -1.18 0.23 -0.69 -2.94 0.00 0.00 177.10 172.65 2k23 s VAL 66 N 3.03 5.34 -0.60 3.54 1.01 0.13 -2.19 120.40 130.66 2k23 s VAL 66 Ca 0.14 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.42 2k23 s VAL 66 Cb -0.22 -3.57 0.15 0.00 0.00 0.00 0.00 36.38 32.74 2k23 s VAL 66 CO 0.08 0.40 0.50 -0.89 0.00 0.00 0.00 175.10 175.19 2k23 s THR 67 N 0.47 4.76 -0.58 3.92 2.01 -0.36 -0.53 115.64 125.34 2k23 s THR 67 Ca 0.13 -2.03 -0.16 0.00 0.31 0.00 0.00 61.69 59.94 2k23 s THR 67 Cb -0.12 -4.05 0.13 0.00 0.01 0.00 0.00 72.50 68.47 2k23 s THR 67 CO 0.02 -0.88 0.57 -0.44 -0.69 0.00 0.00 174.62 173.20 2k23 s SER 68 N 2.54 6.24 0.20 3.53 0.01 0.98 -2.36 113.70 124.84 2k23 s SER 68 Ca 0.09 -1.80 -0.30 0.00 1.31 0.00 0.00 55.95 55.25 2k23 s SER 68 Cb -0.22 -2.23 -0.08 0.00 0.21 0.00 0.00 66.02 63.70 2k23 s SER 68 CO -0.02 -0.89 1.01 -0.51 0.41 0.00 0.00 173.24 173.24 2k23 s ILE 69 N 1.69 4.04 0.09 1.44 2.07 -1.07 0.36 121.20 129.81 2k23 s ILE 69 Ca 0.06 1.88 -0.16 0.00 -1.41 0.00 0.00 60.65 61.02 2k23 s ILE 69 Cb -0.27 -4.20 0.03 0.00 0.13 0.00 0.00 42.46 38.15 2k23 s ILE 69 CO 0.02 0.38 0.38 -1.48 -1.91 0.00 0.00 174.94 172.34 2k23 s LEU 70 N -0.75 0.50 -0.33 8.50 0.05 0.32 -3.94 118.68 123.03 2k23 s LEU 70 Ca 0.45 -0.21 -0.26 0.00 0.05 0.00 0.00 54.13 54.17 2k23 s LEU 70 Cb -0.27 1.72 0.01 0.00 -2.05 0.00 0.00 46.19 45.59 2k23 s LEU 70 CO 0.34 -0.75 0.91 -0.69 -0.55 0.00 0.00 176.35 175.60 2k23 s VAL 71 N -3.20 4.66 -0.22 1.48 1.01 -1.26 -1.08 120.40 121.78 2k23 s VAL 71 Ca -0.01 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 2k23 s VAL 71 Cb 0.01 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.18 2k23 s VAL 71 CO -0.08 -0.39 -0.01 -0.13 0.00 0.00 0.00 175.10 174.49 2k23 s ARG 72 N 3.28 1.20 4.36 2.72 0.52 -0.25 -4.98 118.95 125.81 2k23 s ARG 72 Ca 0.38 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 2k23 s ARG 72 Cb -0.13 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.95 2k23 s ARG 72 CO 0.15 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.25 2k23 n GLY 73 N 4.82 1.93 2.53 -3.53 0.00 -1.26 -3.61 105.19 106.08 2k23 n GLY 73 Ca -0.10 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2k23 n GLY 73 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k23 n GLN 74 N 0.00 3.02 -3.99 1.61 7.27 -1.26 -5.06 117.38 118.97 2k23 n GLN 74 Ca 0.00 -4.32 0.00 0.00 0.07 0.00 0.00 57.00 52.75 2k23 n GLN 74 Cb 0.00 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 30.57 2k23 n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k23 n GLY 75 N -0.39 -0.71 3.57 1.69 0.00 -1.24 -5.12 105.19 102.99 2k23 n GLY 75 Ca 0.34 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 2k23 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k23 s ARG 77 N -0.90 0.35 -0.12 0.00 3.52 -0.24 -4.90 118.95 116.65 2k23 s ARG 77 Ca 0.13 -0.31 -0.28 0.00 -0.13 0.00 0.00 55.73 55.14 2k23 s ARG 77 Cb -0.11 0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.41 2k23 s ARG 77 CO 0.02 -0.07 0.93 0.71 -0.81 0.00 0.00 175.30 176.08 2k23 s TYR 78 N -1.04 3.49 -0.43 5.12 2.02 -1.26 -0.52 117.35 124.72 2k23 s TYR 78 Ca -0.11 1.47 -0.11 0.00 -0.37 0.00 0.00 57.07 57.94 2k23 s TYR 78 Cb -0.06 -3.11 0.07 0.00 -0.40 0.00 0.00 41.96 38.46 2k23 s TYR 78 CO 0.01 -0.21 0.30 -0.46 -1.57 0.00 0.00 175.55 173.61 2k23 s TRP 79 N 1.99 3.30 -0.10 2.71 -0.00 0.16 -4.87 118.94 122.13 2k23 s TRP 79 Ca 0.44 -1.28 -0.05 0.00 -0.00 0.00 0.00 56.10 55.21 2k23 s TRP 79 Cb -0.18 -2.98 -0.04 0.00 -0.00 0.00 0.00 33.47 30.27 2k23 s TRP 79 CO 0.16 -0.81 0.12 0.42 -0.00 0.00 0.00 176.95 176.83 2k23 s ILE 80 N 1.51 5.25 0.29 5.86 1.09 -1.26 -0.01 121.20 133.92 2k23 s ILE 80 Ca 0.03 0.05 -0.02 0.00 -1.10 0.00 0.00 60.65 59.62 2k23 s ILE 80 Cb -0.23 -3.30 -0.02 0.00 -1.06 0.00 0.00 42.46 37.86 2k23 s ILE 80 CO 0.04 0.57 0.35 0.00 -0.10 0.00 0.00 174.94 175.80 2k23 s ARG 81 N -1.14 1.65 -0.25 2.79 1.70 0.31 -4.94 118.95 119.08 2k23 s ARG 81 Ca 0.16 -1.69 -0.08 0.00 -0.47 0.00 0.00 55.73 53.65 2k23 s ARG 81 Cb -0.12 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 2k23 s ARG 81 CO 0.06 -0.64 0.10 0.99 -1.08 0.00 0.00 175.30 174.73 2k23 s THR 82 N -3.57 4.64 -0.24 4.99 2.01 -1.25 0.19 115.64 122.41 2k23 s THR 82 Ca 0.33 -0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 2k23 s THR 82 Cb 0.02 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 2k23 s THR 82 CO 0.18 0.34 0.01 -0.36 -0.69 0.00 0.00 174.62 174.10 2k23 s PHE 83 N 1.45 3.03 0.02 4.92 0.08 0.12 0.50 117.98 128.11 2k23 s PHE 83 Ca 0.06 -0.80 0.08 0.00 0.12 0.00 0.00 56.93 56.39 2k23 s PHE 83 Cb -0.15 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 2k23 s PHE 83 CO 0.05 -0.50 -0.25 0.14 -0.10 0.00 0.00 175.22 174.56 2k23 s VAL 84 N 1.52 2.00 0.28 -0.44 -7.23 0.04 0.90 120.40 117.47 2k23 s VAL 84 Ca 0.05 -1.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 2k23 s VAL 84 Cb -0.15 -1.69 -0.12 0.00 0.56 0.00 0.00 36.38 34.97 2k23 s VAL 84 CO -0.00 0.41 1.49 -2.65 -0.31 0.00 0.00 175.10 174.04 2k23 n PRO 85 N 2.04 2.40 0.00 4.82 -0.02 -1.26 0.43 135.00 143.40 2k23 n PRO 85 Ca -0.17 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2k23 n PRO 85 Cb 0.52 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2k23 n PRO 85 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k23 n SER 86 N 1.91 0.00 0.08 2.55 2.88 0.20 -4.69 113.62 116.55 2k23 n SER 86 Ca 0.09 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.72 2k23 n SER 86 Cb 0.35 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.21 2k23 n SER 86 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k23 n SER 87 N 0.00 0.39 -3.64 -3.46 7.64 -1.26 -4.69 113.62 108.60 2k23 n SER 87 Ca 0.00 0.62 -0.15 0.00 1.01 0.00 0.00 58.87 60.35 2k23 n SER 87 Cb 0.00 -0.69 -0.08 0.00 -1.01 0.00 0.00 64.21 62.43 2k23 n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k23 s ARG 88 N -3.23 0.79 0.13 1.43 3.03 -1.26 -5.12 118.95 114.73 2k23 s ARG 88 Ca 0.04 0.58 -0.33 0.00 2.03 0.00 0.00 55.73 58.04 2k23 s ARG 88 Cb 0.08 0.38 -0.13 0.00 -1.03 0.00 0.00 34.95 34.25 2k23 s ARG 88 CO 0.29 -0.16 1.66 -2.30 -1.13 0.00 0.00 175.30 173.66 2k23 n PRO 89 N 2.11 2.28 0.00 3.89 -0.02 -1.26 -2.11 135.00 139.89 2k23 n PRO 89 Ca -0.16 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2k23 n PRO 89 Cb 0.56 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2k23 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k23 n GLY 90 N 3.68 3.32 3.67 -1.23 0.00 -1.26 -4.95 105.19 108.42 2k23 n GLY 90 Ca 0.18 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 2k23 n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k23 s GLN 91 N 0.00 4.32 0.05 1.61 0.74 -0.90 -3.81 119.66 121.68 2k23 s GLN 91 Ca 0.00 1.23 0.06 0.00 0.05 0.00 0.00 55.36 56.70 2k23 s GLN 91 Cb 0.00 -3.58 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 2k23 s GLN 91 CO 0.00 -0.41 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.14 2k23 s PHE 92 N 2.41 2.69 0.45 1.67 0.08 0.34 0.59 117.98 126.22 2k23 s PHE 92 Ca 0.43 -0.17 0.03 0.00 0.12 0.00 0.00 56.93 57.33 2k23 s PHE 92 Cb -0.17 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2k23 s PHE 92 CO 0.12 0.34 0.08 0.95 -0.10 0.00 0.00 175.22 176.61 2k23 s THR 93 N -1.03 0.81 0.01 0.64 -4.23 0.17 -0.94 115.64 111.07 2k23 s THR 93 Ca 0.17 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.53 2k23 s THR 93 Cb -0.11 -2.25 -0.06 0.00 1.34 0.00 0.00 72.50 71.42 2k23 s THR 93 CO 0.08 0.00 0.42 -0.76 -0.54 0.00 0.00 174.62 173.82 2k23 s LEU 94 N -3.72 4.48 0.39 4.79 2.01 -1.26 -0.78 118.68 124.57 2k23 s LEU 94 Ca 0.16 0.98 0.22 0.00 0.01 0.00 0.00 54.13 55.50 2k23 s LEU 94 Cb 0.02 -2.62 1.27 0.00 0.01 0.00 0.00 46.19 44.88 2k23 s LEU 94 CO 0.10 0.32 1.64 1.23 1.01 0.00 0.00 176.35 180.64 2k23 h GLY 95 N 4.66 1.75 -5.36 -3.19 0.00 -0.27 0.17 103.07 100.83 2k23 h GLY 95 Ca -0.51 -0.17 -0.44 0.00 0.00 0.00 0.00 47.33 46.20 2k23 h GLY 95 CO 0.62 -0.49 -1.11 -2.01 0.00 0.00 0.00 176.54 173.54 2k23 n ASN 96 N -4.92 1.74 0.18 0.19 2.85 -1.26 -4.87 115.26 109.17 2k23 n ASN 96 Ca 0.35 -2.99 0.03 0.00 -0.11 0.00 0.00 54.58 51.85 2k23 n ASN 96 Cb 1.21 -0.56 0.38 0.00 1.24 0.00 0.00 39.78 42.05 2k23 n ASN 96 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 2k23 h ILE 97 N 2.20 1.24 0.00 -1.44 6.09 -1.02 -3.26 117.51 121.31 2k23 h ILE 97 Ca 0.03 -1.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.37 2k23 h ILE 97 Cb 1.02 1.60 0.00 0.00 0.47 0.00 0.00 36.82 39.91 2k23 h ILE 97 CO 0.56 0.33 0.00 0.00 -3.07 0.00 0.00 178.15 175.97 2k23 n HIS 98 N -4.14 0.00 0.94 2.19 1.44 -1.26 0.64 115.22 115.03 2k23 n HIS 98 Ca -0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 2k23 n HIS 98 Cb 0.37 0.00 0.30 0.00 0.12 0.00 0.00 29.99 30.79 2k23 n HIS 98 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2k23 n SER 99 N -0.74 2.40 -4.68 4.39 2.88 -1.23 -4.99 113.62 111.65 2k23 n SER 99 Ca 0.05 -1.81 -0.58 0.00 -1.33 0.00 0.00 58.87 55.20 2k23 n SER 99 Cb 0.02 -0.12 -0.08 0.00 -0.75 0.00 0.00 64.21 63.29 2k23 n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k23 n TYR 100 N 0.82 1.98 -0.07 0.66 0.18 0.21 -4.90 117.16 116.03 2k23 n TYR 100 Ca 0.17 0.56 -0.13 0.00 1.88 0.00 0.00 57.90 60.38 2k23 n TYR 100 Cb 0.46 -2.45 -0.11 0.00 -0.38 0.00 0.00 39.34 36.86 2k23 n TYR 100 CO 0.00 0.00 0.00 -1.00 -2.08 0.00 0.00 176.86 173.78 2k23 h PRO 101 N 7.55 0.00 0.00 -3.48 0.14 -1.94 -3.42 132.00 130.86 2k23 h PRO 101 Ca -0.44 0.00 -0.32 0.00 0.14 0.00 0.00 66.00 65.38 2k23 h PRO 101 Cb 1.32 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 32.41 2k23 h PRO 101 CO 0.97 0.85 -1.96 0.94 0.14 0.00 0.00 178.00 178.94 2k23 n GLN 102 N -4.61 0.65 -1.95 0.86 7.27 -1.26 -4.89 117.38 113.45 2k23 n GLN 102 Ca -0.11 0.19 -0.42 0.00 0.07 0.00 0.00 57.00 56.72 2k23 n GLN 102 Cb 0.44 -1.69 -0.03 0.00 2.41 0.00 0.00 30.24 31.37 2k23 n GLN 102 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2k23 s ILE 103 N -2.56 3.03 -0.01 1.69 1.09 -1.26 -2.10 121.20 121.08 2k23 s ILE 103 Ca -0.07 0.53 0.03 0.00 -1.10 0.00 0.00 60.65 60.04 2k23 s ILE 103 Cb 0.07 -3.34 -0.25 0.00 -1.06 0.00 0.00 42.46 37.88 2k23 s ILE 103 CO 0.82 0.00 0.78 1.56 -0.10 0.00 0.00 174.94 178.01 2k23 h GLN 104 N 8.09 0.14 -1.21 2.79 1.08 -0.69 -3.46 115.11 121.85 2k23 h GLN 104 Ca -0.42 -0.23 0.19 0.00 -1.45 0.00 0.00 58.65 56.73 2k23 h GLN 104 Cb 1.20 0.09 -0.27 0.00 -0.05 0.00 0.00 27.48 28.45 2k23 h GLN 104 CO 0.92 0.90 0.82 -1.54 -0.95 0.00 0.00 178.83 178.99 2k23 s SER 105 N -6.66 -0.14 -0.18 1.46 1.04 -1.24 -4.99 113.70 103.00 2k23 s SER 105 Ca -0.08 0.17 -0.05 0.00 0.48 0.00 0.00 55.95 56.48 2k23 s SER 105 Cb 0.08 0.14 0.07 0.00 0.10 0.00 0.00 66.02 66.41 2k23 s SER 105 CO 0.83 -0.11 0.11 -0.47 0.98 0.00 0.00 173.24 174.57 2k23 s TYR 106 N -0.85 0.14 -0.07 5.02 6.14 -1.26 -1.26 117.35 125.21 2k23 s TYR 106 Ca 0.06 -0.27 -0.03 0.00 0.64 0.00 0.00 57.07 57.47 2k23 s TYR 106 Cb -0.01 -0.66 0.04 0.00 0.42 0.00 0.00 41.96 41.75 2k23 s TYR 106 CO -0.06 -0.53 0.14 -0.51 0.64 0.00 0.00 175.55 175.23 2k23 s ASP 107 N 2.16 0.44 -0.06 4.32 1.01 -0.92 -4.36 116.67 119.26 2k23 s ASP 107 Ca 0.03 0.29 0.01 0.00 0.71 0.00 0.00 52.55 53.59 2k23 s ASP 107 Cb -0.16 0.20 0.02 0.00 1.01 0.00 0.00 42.92 44.00 2k23 s ASP 107 CO -0.10 -0.21 -0.06 0.54 0.21 0.00 0.00 175.17 175.55 2k23 s VAL 108 N 1.84 0.71 0.06 -1.27 0.11 -0.11 -1.15 120.40 120.58 2k23 s VAL 108 Ca -0.02 -0.20 0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2k23 s VAL 108 Cb -0.12 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2k23 s VAL 108 CO -0.06 0.27 -0.11 0.00 -3.33 0.00 0.00 175.10 171.88 2k23 s GLN 109 N 1.05 0.69 -0.07 1.54 -2.07 -0.66 0.13 119.66 120.27 2k23 s GLN 109 Ca -0.09 -0.88 -0.20 0.00 -1.82 0.00 0.00 55.36 52.37 2k23 s GLN 109 Cb -0.14 -0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 31.18 2k23 s GLN 109 CO -0.00 0.11 0.58 0.54 -1.32 0.00 0.00 175.29 175.19 2k23 s VAL 110 N -1.42 5.06 0.20 3.63 0.11 -1.25 -1.23 120.40 125.50 2k23 s VAL 110 Ca -0.05 1.18 -0.06 0.00 -2.93 0.00 0.00 61.98 60.12 2k23 s VAL 110 Cb -0.09 -3.91 0.03 0.00 -1.53 0.00 0.00 36.38 30.87 2k23 s VAL 110 CO 0.01 0.34 1.61 0.00 -3.33 0.00 0.00 175.10 173.73 2k23 h ALA 111 N 6.35 0.83 -2.04 1.54 0.00 0.38 -2.46 119.26 123.87 2k23 h ALA 111 Ca -0.43 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2k23 h ALA 111 Cb 1.19 -0.16 -0.21 0.00 0.00 0.00 0.00 17.79 18.61 2k23 h ALA 111 CO 0.73 0.64 0.05 0.16 0.00 0.00 0.00 179.25 180.84 2k23 s ASP 112 N -6.74 -0.84 -0.05 0.00 1.47 -1.23 -3.66 116.67 105.62 2k23 s ASP 112 Ca -0.10 1.46 0.00 0.00 1.18 0.00 0.00 52.55 55.09 2k23 s ASP 112 Cb 0.13 1.39 0.02 0.00 -0.34 0.00 0.00 42.92 44.13 2k23 s ASP 112 CO 0.85 -0.24 -0.02 0.28 0.68 0.00 0.00 175.17 176.72 2k23 s THR 113 N 1.09 0.38 0.22 2.11 -1.32 -1.26 -1.61 115.64 115.24 2k23 s THR 113 Ca -0.06 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.48 2k23 s THR 113 Cb -0.05 -0.46 -0.05 0.00 -1.51 0.00 0.00 72.50 70.43 2k23 s THR 113 CO -0.11 0.21 -0.09 -1.81 -2.21 0.00 0.00 174.62 170.61 2k23 s ASP 114 N 1.19 2.31 0.37 8.08 1.01 -1.21 -4.97 116.67 123.46 2k23 s ASP 114 Ca -0.07 -1.10 0.20 0.00 0.71 0.00 0.00 52.55 52.29 2k23 s ASP 114 Cb -0.14 -0.09 0.60 0.00 1.01 0.00 0.00 42.92 44.31 2k23 s ASP 114 CO -0.02 -0.31 1.69 0.10 0.21 0.00 0.00 175.17 176.84 2k23 h TYR 115 N 2.52 0.00 0.00 4.23 -0.00 -1.93 -3.39 116.97 118.40 2k23 h TYR 115 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.35 2k23 h TYR 115 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.95 2k23 h TYR 115 CO 0.67 0.35 -0.53 -3.47 -0.00 0.00 0.00 178.16 175.17 2k23 n ASP 116 N -3.40 1.84 -3.51 0.10 2.03 -1.26 -4.92 116.55 107.43 2k23 n ASP 116 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.01 2k23 n ASP 116 Cb 0.54 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 41.21 2k23 n ASP 116 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k23 s GLN 117 N -1.60 -2.37 0.64 -0.67 -1.52 -1.26 -4.54 119.66 108.34 2k23 s GLN 117 Ca 0.00 -0.01 0.07 0.00 -1.95 0.00 0.00 55.36 53.48 2k23 s GLN 117 Cb 0.00 -1.46 0.11 0.00 -0.22 0.00 0.00 33.01 31.45 2k23 s GLN 117 CO 0.00 -4.48 0.88 -0.59 -0.25 0.00 0.00 175.29 170.85 2k23 s PHE 118 N -2.59 1.21 -0.04 0.91 -0.71 -1.26 -4.17 117.98 111.34 2k23 s PHE 118 Ca 0.70 -0.67 0.00 0.00 -1.04 0.00 0.00 56.93 55.92 2k23 s PHE 118 Cb -0.11 -2.40 0.03 0.00 -1.21 0.00 0.00 43.02 39.33 2k23 s PHE 118 CO 0.57 -1.43 -0.00 0.00 -1.34 0.00 0.00 175.22 173.02 2k23 s ALA 119 N -2.84 0.43 -0.31 1.99 0.00 0.12 -3.29 121.76 117.85 2k23 s ALA 119 Ca 0.64 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.62 2k23 s ALA 119 Cb -0.05 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.68 2k23 s ALA 119 CO 0.41 -0.15 0.08 -1.64 0.00 0.00 0.00 175.76 174.47 2k23 s MET 120 N 1.21 2.86 -0.05 0.00 -1.94 -0.64 -0.74 119.30 120.00 2k23 s MET 120 Ca -0.07 -1.01 0.04 0.00 -1.71 0.00 0.00 55.69 52.94 2k23 s MET 120 Cb -0.13 -3.39 -0.02 0.00 2.01 0.00 0.00 34.83 33.29 2k23 s MET 120 CO -0.02 -0.54 -0.16 0.08 -0.01 0.00 0.00 175.02 174.37 2k23 s VAL 121 N 1.44 2.89 -0.28 -6.03 1.01 -0.98 0.73 120.40 119.19 2k23 s VAL 121 Ca 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 2k23 s VAL 121 Cb -0.18 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2k23 s VAL 121 CO 0.02 0.58 0.16 0.12 0.00 0.00 0.00 175.10 175.98 2k23 s PHE 122 N -0.60 3.18 -0.26 5.22 2.19 -0.36 0.33 117.98 127.68 2k23 s PHE 122 Ca 0.09 -0.13 -0.08 0.00 0.33 0.00 0.00 56.93 57.13 2k23 s PHE 122 Cb -0.11 -2.35 -0.03 0.00 -1.31 0.00 0.00 43.02 39.22 2k23 s PHE 122 CO 0.01 -0.26 0.11 -0.06 1.83 0.00 0.00 175.22 176.84 2k23 s PHE 123 N 1.70 3.13 -0.23 10.12 0.40 0.21 -1.65 117.98 131.66 2k23 s PHE 123 Ca 0.06 -0.32 -0.10 0.00 -0.60 0.00 0.00 56.93 55.97 2k23 s PHE 123 Cb -0.16 -2.28 -0.05 0.00 0.51 0.00 0.00 43.02 41.04 2k23 s PHE 123 CO 0.08 -0.33 0.14 -1.14 0.70 0.00 0.00 175.22 174.67 2k23 s GLN 124 N 1.65 4.02 -0.17 0.44 2.00 -0.30 -2.25 119.66 125.04 2k23 s GLN 124 Ca 0.06 -0.30 -0.02 0.00 -2.00 0.00 0.00 55.36 53.10 2k23 s GLN 124 Cb -0.16 -3.47 0.05 0.00 0.80 0.00 0.00 33.01 30.23 2k23 s GLN 124 CO 0.06 0.07 0.02 0.21 -0.50 0.00 0.00 175.29 175.14 2k23 s LYS 125 N 1.01 0.77 -0.13 1.67 2.20 -0.31 -2.17 119.74 122.78 2k23 s LYS 125 Ca 0.07 -0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 55.30 2k23 s LYS 125 Cb -0.13 -1.92 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 2k23 s LYS 125 CO 0.04 -0.55 -0.06 0.99 -0.36 0.00 0.00 175.35 175.40 2k23 s THR 126 N 1.83 3.68 -0.25 3.43 2.01 -0.39 0.70 115.64 126.66 2k23 s THR 126 Ca 0.00 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 2k23 s THR 126 Cb -0.16 -2.57 0.07 0.00 0.01 0.00 0.00 72.50 69.85 2k23 s THR 126 CO -0.07 0.53 0.63 -0.94 -0.69 0.00 0.00 174.62 174.07 2k23 s SER 127 N 0.05 -0.80 -1.25 3.53 1.04 0.43 0.10 113.70 116.80 2k23 s SER 127 Ca -0.01 1.35 -0.06 0.00 0.48 0.00 0.00 55.95 57.71 2k23 s SER 127 Cb -0.14 1.26 0.01 0.00 0.10 0.00 0.00 66.02 67.24 2k23 s SER 127 CO 0.03 -0.23 0.76 1.21 0.98 0.00 0.00 173.24 176.00 2k23 n GLU 128 N 3.95 -5.49 0.00 4.02 4.07 -0.89 -1.87 120.64 124.42 2k23 n GLU 128 Ca -0.19 0.74 0.00 0.00 -0.06 0.00 0.00 57.16 57.65 2k23 n GLU 128 Cb 0.57 -5.38 0.00 0.00 -0.06 0.00 0.00 31.44 26.58 2k23 n GLU 128 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2k23 n ASN 129 N -2.12 0.00 -4.73 4.31 5.15 -1.26 -4.97 115.26 111.65 2k23 n ASN 129 Ca -0.05 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.60 2k23 n ASN 129 Cb 0.58 -0.14 -0.08 0.00 -0.53 0.00 0.00 39.78 39.60 2k23 n ASN 129 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2k23 s LYS 130 N 0.00 2.97 -0.13 1.20 1.02 -0.78 -5.10 119.74 118.92 2k23 s LYS 130 Ca 0.00 -0.48 -0.07 0.00 0.02 0.00 0.00 55.97 55.44 2k23 s LYS 130 Cb 0.00 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 2k23 s LYS 130 CO 0.00 0.66 0.13 -0.65 -0.92 0.00 0.00 175.35 174.58 2k23 s GLN 131 N -1.40 3.49 -0.04 1.68 -0.21 -1.26 -0.43 119.66 121.49 2k23 s GLN 131 Ca 0.19 -0.15 0.03 0.00 0.02 0.00 0.00 55.36 55.44 2k23 s GLN 131 Cb -0.12 -3.19 0.01 0.00 1.00 0.00 0.00 33.01 30.71 2k23 s GLN 131 CO 0.09 0.73 -0.11 0.71 -2.12 0.00 0.00 175.29 174.59 2k23 s TYR 132 N -0.89 1.23 0.11 0.91 2.02 0.22 -4.70 117.35 116.23 2k23 s TYR 132 Ca 0.14 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.42 2k23 s TYR 132 Cb -0.12 -0.89 -0.02 0.00 -0.40 0.00 0.00 41.96 40.53 2k23 s TYR 132 CO 0.03 -0.18 0.12 -0.59 -1.57 0.00 0.00 175.55 173.37 2k23 s PHE 133 N 0.39 0.47 0.03 2.71 -0.71 -1.26 -1.16 117.98 118.44 2k23 s PHE 133 Ca -0.08 -0.90 -0.19 0.00 -1.04 0.00 0.00 56.93 54.72 2k23 s PHE 133 Cb -0.12 -0.24 0.04 0.00 -1.21 0.00 0.00 43.02 41.48 2k23 s PHE 133 CO 0.02 -0.53 0.42 -1.59 -1.34 0.00 0.00 175.22 172.19 2k23 s LYS 134 N -3.94 0.89 -0.13 1.99 -2.85 -0.95 -2.34 119.74 112.41 2k23 s LYS 134 Ca 0.13 -0.28 -0.01 0.00 -1.00 0.00 0.00 55.97 54.80 2k23 s LYS 134 Cb 0.06 0.40 -0.02 0.00 -2.06 0.00 0.00 37.83 36.21 2k23 s LYS 134 CO -0.05 -0.30 -0.09 0.54 0.10 0.00 0.00 175.35 175.55 2k23 s VAL 135 N -2.19 3.45 0.07 1.79 0.11 0.21 -0.61 120.40 123.22 2k23 s VAL 135 Ca -0.07 -0.53 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 2k23 s VAL 135 Cb -0.01 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.33 2k23 s VAL 135 CO -0.00 0.53 0.13 0.42 -3.33 0.00 0.00 175.10 172.84 2k23 s THR 136 N 0.15 4.87 -0.46 5.04 -4.23 0.15 -0.80 115.64 120.36 2k23 s THR 136 Ca -0.04 -0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 59.83 2k23 s THR 136 Cb -0.14 -3.35 0.12 0.00 1.34 0.00 0.00 72.50 70.47 2k23 s THR 136 CO 0.04 0.14 0.27 -0.22 -0.54 0.00 0.00 174.62 174.31 2k23 s LEU 137 N -2.40 5.27 0.30 4.79 1.98 0.04 -2.32 118.68 126.33 2k23 s LEU 137 Ca 0.31 -2.22 0.07 0.00 -2.89 0.00 0.00 54.13 49.40 2k23 s LEU 137 Cb -0.12 -1.84 -0.03 0.00 0.66 0.00 0.00 46.19 44.85 2k23 s LEU 137 CO 0.24 -0.51 0.29 -0.31 -1.89 0.00 0.00 176.35 174.17 2k23 s TYR 138 N 0.86 3.04 0.27 5.38 2.02 0.08 0.01 117.35 129.00 2k23 s TYR 138 Ca 0.10 -0.21 -0.13 0.00 -0.37 0.00 0.00 57.07 56.47 2k23 s TYR 138 Cb -0.22 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 2k23 s TYR 138 CO -0.04 0.29 0.52 0.20 -1.57 0.00 0.00 175.55 174.95 2k23 s GLY 139 N -3.96 0.56 0.48 0.71 0.00 -0.60 -0.71 107.32 103.81 2k23 s GLY 139 Ca 0.38 -0.88 0.26 0.00 0.00 0.00 0.00 44.72 44.48 2k23 s GLY 139 CO 0.27 -0.60 1.84 0.07 0.00 0.00 0.00 173.10 174.68 2k23 h ARG 140 N 2.21 0.18 0.00 2.90 0.11 -1.80 -2.64 114.38 115.34 2k23 h ARG 140 Ca -0.26 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.81 2k23 h ARG 140 Cb 1.25 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2k23 h ARG 140 CO 0.35 0.12 0.00 -2.37 0.10 0.00 0.00 179.97 178.17 2k23 n THR 141 N -4.39 0.00 1.50 0.08 5.66 -1.26 -4.70 114.28 111.17 2k23 n THR 141 Ca 0.21 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.27 2k23 n THR 141 Cb 0.93 0.00 0.33 0.00 -1.55 0.00 0.00 70.33 70.04 2k23 n THR 141 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k23 n LYS 142 N 0.00 0.75 -3.52 1.09 5.02 -1.26 -4.44 118.16 115.80 2k23 n LYS 142 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2k23 n LYS 142 Cb 0.00 -1.23 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 2k23 n LYS 142 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2k23 s GLY 143 N -1.59 3.07 -0.05 0.72 0.00 -1.26 -4.99 107.32 103.22 2k23 s GLY 143 Ca 0.16 -3.78 0.02 0.00 0.00 0.00 0.00 44.72 41.13 2k23 s GLY 143 CO 0.13 1.24 -0.08 1.08 0.00 0.00 0.00 173.10 175.47 2k23 s LEU 144 N -1.15 1.53 0.79 0.66 1.43 -1.26 -4.87 118.68 115.81 2k23 s LEU 144 Ca 0.27 -0.20 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 2k23 s LEU 144 Cb -0.09 -0.59 0.06 0.00 0.03 0.00 0.00 46.19 45.60 2k23 s LEU 144 CO -0.10 -0.00 1.13 -1.20 0.23 0.00 0.00 176.35 176.41 2k23 n SER 145 N 3.81 0.85 0.25 2.29 7.64 -1.26 -4.89 113.62 122.30 2k23 n SER 145 Ca -0.23 0.61 0.12 0.00 1.01 0.00 0.00 58.87 60.37 2k23 n SER 145 Cb 0.52 -1.48 0.61 0.00 -1.01 0.00 0.00 64.21 62.85 2k23 n SER 145 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2k23 h ASP 146 N -0.72 0.00 -0.61 6.43 3.32 -2.00 -2.91 116.42 119.92 2k23 h ASP 146 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2k23 h ASP 146 Cb 1.31 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 2k23 h ASP 146 CO 0.46 0.17 0.39 -0.08 -1.72 0.00 0.00 179.24 178.46 2k23 h GLU 147 N 0.00 0.82 0.00 3.56 4.81 -1.99 0.13 114.58 121.90 2k23 h GLU 147 Ca -0.00 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 2k23 h GLU 147 Cb 0.52 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2k23 h GLU 147 CO 0.02 0.56 -0.63 1.37 -0.73 0.00 0.00 179.01 179.60 2k23 h LEU 148 N 0.83 0.00 -0.25 1.64 8.10 -1.88 -2.60 115.31 121.14 2k23 h LEU 148 Ca 0.22 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 58.03 2k23 h LEU 148 Cb -0.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.16 2k23 h LEU 148 CO -0.05 0.63 -0.54 0.11 -4.11 0.00 0.00 178.44 174.49 2k23 h LYS 149 N 0.00 0.81 -0.62 0.17 1.57 -1.34 -2.16 116.57 115.00 2k23 h LYS 149 Ca -0.01 -0.53 0.05 0.00 -1.87 0.00 0.00 60.65 58.29 2k23 h LYS 149 Cb 1.17 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 2k23 h LYS 149 CO 0.08 1.16 0.41 1.49 -0.57 0.00 0.00 179.45 182.03 2k23 h GLU 150 N 0.56 0.64 -0.41 3.15 4.57 -0.71 -0.34 114.58 122.05 2k23 h GLU 150 Ca 0.00 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 2k23 h GLU 150 Cb 1.15 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 2k23 h GLU 150 CO 0.12 0.42 -0.00 -0.09 -1.18 0.00 0.00 179.01 178.28 2k23 h ARG 151 N 0.66 0.66 -0.19 1.92 2.43 -1.10 -1.03 114.38 117.73 2k23 h ARG 151 Ca 0.26 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 2k23 h ARG 151 Cb 0.20 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2k23 h ARG 151 CO -0.08 0.68 -0.37 0.27 -1.51 0.00 0.00 179.97 178.96 2k23 h PHE 152 N 0.62 0.74 -0.42 2.20 -5.15 -0.46 -0.57 116.94 113.90 2k23 h PHE 152 Ca 0.13 -0.27 -0.03 0.00 -0.20 0.00 0.00 57.97 57.60 2k23 h PHE 152 Cb 0.39 -0.14 -0.02 0.00 0.22 0.00 0.00 35.95 36.40 2k23 h PHE 152 CO 0.02 1.01 0.13 -0.39 -2.00 0.00 0.00 178.31 177.08 2k23 h VAL 153 N 0.25 1.17 -0.36 0.88 -1.51 -1.13 0.47 116.25 116.03 2k23 h VAL 153 Ca 0.01 -0.58 -0.04 0.00 -1.23 0.00 0.00 66.70 64.86 2k23 h VAL 153 Cb 0.97 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 2k23 h VAL 153 CO 0.08 0.22 0.06 0.28 -1.23 0.00 0.00 177.57 176.98 2k23 h SER 154 N 0.59 0.57 0.24 4.19 0.02 -1.05 -2.19 113.55 115.92 2k23 h SER 154 Ca 0.14 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 2k23 h SER 154 Cb 0.17 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2k23 h SER 154 CO -0.01 0.68 -0.26 0.15 -1.14 0.00 0.00 176.83 176.24 2k23 h PHE 155 N 0.43 0.04 -0.98 3.45 3.57 -0.16 -1.18 116.94 122.12 2k23 h PHE 155 Ca 0.11 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.66 2k23 h PHE 155 Cb 0.35 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 2k23 h PHE 155 CO 0.02 0.30 0.63 0.00 -2.23 0.00 0.00 178.31 177.04 2k23 h ALA 156 N 1.70 1.34 0.00 2.41 0.00 0.44 -1.38 119.26 123.77 2k23 h ALA 156 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2k23 h ALA 156 Cb 0.49 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2k23 h ALA 156 CO 0.04 0.44 -0.23 0.87 0.00 0.00 0.00 179.25 180.37 2k23 h LYS 157 N 1.17 0.00 -0.30 0.00 1.79 -0.65 -1.24 116.57 117.34 2k23 h LYS 157 Ca 0.41 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.77 2k23 h LYS 157 Cb 0.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2k23 h LYS 157 CO -0.16 0.23 -0.29 0.77 -1.08 0.00 0.00 179.45 178.92 2k23 h SER 158 N 0.00 0.63 1.11 0.86 0.02 -0.60 -2.03 113.55 113.54 2k23 h SER 158 Ca -0.00 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 2k23 h SER 158 Cb 0.96 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2k23 h SER 158 CO 0.03 0.89 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.15 2k23 h LEU 159 N 0.53 0.00 0.00 5.07 -0.00 -1.42 -3.47 115.31 116.02 2k23 h LEU 159 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2k23 h LEU 159 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2k23 h LEU 159 CO 0.06 0.39 0.00 0.61 -0.00 0.00 0.00 178.44 179.50 2k23 n GLY 160 N 0.59 1.94 4.02 0.83 0.00 -0.76 -4.63 105.19 107.19 2k23 n GLY 160 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2k23 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k23 s LEU 161 N 0.00 3.42 0.11 0.99 1.43 -0.48 -4.47 118.68 119.67 2k23 s LEU 161 Ca 0.00 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2k23 s LEU 161 Cb 0.00 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2k23 s LEU 161 CO 0.00 -1.02 -0.13 -0.54 0.23 0.00 0.00 176.35 174.90 2k23 s LYS 162 N -4.50 0.93 0.62 1.70 3.01 -1.26 -4.05 119.74 116.19 2k23 s LYS 162 Ca 0.58 -1.17 0.30 0.00 -1.01 0.00 0.00 55.97 54.67 2k23 s LYS 162 Cb -0.08 -0.75 1.63 0.00 -1.01 0.00 0.00 37.83 37.61 2k23 s LYS 162 CO 0.36 0.14 1.98 -0.44 0.51 0.00 0.00 175.35 177.90 2k23 h ASP 163 N 3.63 0.00 0.23 2.83 3.32 -1.94 0.21 116.42 124.70 2k23 h ASP 163 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2k23 h ASP 163 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2k23 h ASP 163 CO 0.50 0.00 0.00 0.78 -1.72 0.00 0.00 179.24 178.80 2k23 h ASN 164 N 0.00 0.00 -0.23 6.45 4.21 -1.96 -1.28 115.58 122.76 2k23 h ASN 164 Ca 0.09 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.40 2k23 h ASN 164 Cb 0.76 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 37.69 2k23 h ASN 164 CO -0.00 0.00 -0.83 0.59 -1.29 0.00 0.00 177.43 175.90 2k23 n ASN 165 N -2.55 2.14 -3.81 5.81 4.13 0.73 -4.71 115.26 117.01 2k23 n ASN 165 Ca -0.01 -3.00 -0.28 0.00 1.68 0.00 0.00 54.58 52.97 2k23 n ASN 165 Cb 0.10 -0.42 -0.16 0.00 -1.54 0.00 0.00 39.78 37.76 2k23 n ASN 165 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2k23 s ILE 166 N -2.70 0.85 0.51 2.41 1.01 -0.49 0.30 121.20 123.09 2k23 s ILE 166 Ca 0.38 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.46 2k23 s ILE 166 Cb 0.38 -1.20 0.04 0.00 0.01 0.00 0.00 42.46 41.68 2k23 s ILE 166 CO -0.07 -0.07 0.53 0.68 0.00 0.00 0.00 174.94 176.01 2k23 s VAL 167 N 1.72 2.16 -0.16 2.92 -7.23 0.78 -4.88 120.40 115.71 2k23 s VAL 167 Ca -0.01 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 2k23 s VAL 167 Cb -0.17 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.37 2k23 s VAL 167 CO -0.07 0.00 -0.19 -0.36 -0.31 0.00 0.00 175.10 174.17 2k23 s PHE 168 N -2.63 2.57 -0.29 2.82 0.08 -1.26 -1.77 117.98 117.49 2k23 s PHE 168 Ca 0.48 -1.42 -0.33 0.00 0.12 0.00 0.00 56.93 55.78 2k23 s PHE 168 Cb -0.04 -1.79 -0.09 0.00 -0.57 0.00 0.00 43.02 40.53 2k23 s PHE 168 CO 0.29 -0.70 2.19 0.43 -0.10 0.00 0.00 175.22 177.33 2k23 n SER 169 N 4.46 2.57 -4.70 1.36 7.64 -1.10 -4.88 113.62 118.98 2k23 n SER 169 Ca -0.20 0.36 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 2k23 n SER 169 Cb 0.51 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.31 2k23 n SER 169 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2k23 s VAL 170 N 7.54 3.50 -0.54 0.44 1.01 -1.21 -4.42 120.40 126.72 2k23 s VAL 170 Ca 1.06 0.98 -0.26 0.00 0.00 0.00 0.00 61.98 63.76 2k23 s VAL 170 Cb -0.67 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 2k23 s VAL 170 CO 0.44 0.03 2.39 -2.84 0.00 0.00 0.00 175.10 175.12 2k23 s PRO 171 N 1.92 2.05 0.49 2.72 0.02 -1.26 0.43 135.00 141.36 2k23 s PRO 171 Ca 0.65 1.24 -0.22 0.00 0.02 0.00 0.00 61.00 62.69 2k23 s PRO 171 Cb -0.34 -4.61 -0.06 0.00 0.02 0.00 0.00 34.50 29.50 2k23 s PRO 171 CO 0.29 -3.43 1.21 -0.08 -0.33 0.00 0.00 177.00 174.66 2k23 s THR 172 N 12.46 2.82 -1.13 0.99 -1.32 -1.26 -4.89 115.64 123.31 2k23 s THR 172 Ca 0.95 0.60 -0.20 0.00 -1.21 0.00 0.00 61.69 61.83 2k23 s THR 172 Cb -0.16 -3.30 0.07 0.00 -1.51 0.00 0.00 72.50 67.60 2k23 s THR 172 CO 0.23 -0.02 1.53 -0.62 -2.21 0.00 0.00 174.62 173.53 2k23 s ASP 173 N -1.30 6.66 -0.00 8.08 2.15 -1.26 -4.81 116.67 126.19 2k23 s ASP 173 Ca 0.67 -1.94 -0.23 0.00 0.43 0.00 0.00 52.55 51.48 2k23 s ASP 173 Cb -0.31 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 39.83 2k23 s ASP 173 CO 0.37 -1.32 1.03 0.00 -0.17 0.00 0.00 175.17 175.09 2k23 n GLN 174 N 8.39 0.18 -2.51 4.34 1.13 -1.26 -5.06 117.38 122.58 2k23 n GLN 174 Ca 0.39 -0.67 -0.40 0.00 -1.94 0.00 0.00 57.00 54.38 2k23 n GLN 174 Cb 0.49 1.09 -0.04 0.00 0.11 0.00 0.00 30.24 31.88 2k23 n GLN 174 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k23 n ILE 176 N 1.04 0.00 -2.13 0.00 3.06 -1.26 -4.84 119.36 115.22 2k23 n ILE 176 Ca -0.00 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.82 2k23 n ILE 176 Cb 0.46 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.61 2k23 n ILE 176 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 2k23 s ASP 177 N -1.11 6.28 0.00 9.51 1.11 -1.26 -4.60 116.67 126.60 2k23 s ASP 177 Ca 0.00 1.44 0.30 0.00 0.18 0.00 0.00 52.55 54.47 2k23 s ASP 177 Cb 0.00 -2.53 1.45 0.00 1.07 0.00 0.00 42.92 42.90 2k23 s ASP 177 CO 0.00 -1.37 1.97 -3.20 1.18 0.00 0.00 175.17 173.75