#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 0.13 -4.72 1.08 5.75 -1.26 -5.05 116.55 112.48 2k23 n ASP 2 Ca 0.00 -0.51 -0.42 0.00 -0.01 0.00 0.00 54.79 53.85 2k23 n ASP 2 Cb 0.00 0.73 -0.03 0.00 -1.03 0.00 0.00 41.12 40.79 2k23 n ASP 2 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2k23 s SER 3 N -0.73 6.72 0.08 -1.12 0.01 -1.26 -5.01 113.70 112.38 2k23 s SER 3 Ca 0.00 2.46 0.02 0.00 1.31 0.00 0.00 55.95 59.74 2k23 s SER 3 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2k23 s SER 3 CO 0.00 -0.72 -0.07 0.28 0.41 0.00 0.00 173.24 173.14 2k23 s THR 4 N 1.06 0.65 -1.06 1.44 -1.32 -1.26 -4.85 115.64 110.30 2k23 s THR 4 Ca 0.66 -1.60 -0.05 0.00 -1.21 0.00 0.00 61.69 59.50 2k23 s THR 4 Cb -0.40 -1.27 0.01 0.00 -1.51 0.00 0.00 72.50 69.33 2k23 s THR 4 CO 0.31 -0.67 0.91 0.00 -2.21 0.00 0.00 174.62 172.96 2k23 n GLN 5 N 0.55 -6.11 0.00 7.08 1.13 -1.26 -5.03 117.38 113.74 2k23 n GLN 5 Ca -0.16 0.68 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 2k23 n GLN 5 Cb 0.58 -5.25 0.00 0.00 0.11 0.00 0.00 30.24 25.68 2k23 n GLN 5 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2k23 n ASN 6 N -2.38 0.00 -4.75 1.08 4.13 -1.26 -5.06 115.26 107.01 2k23 n ASN 6 Ca -0.08 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.77 2k23 n ASN 6 Cb 0.58 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.80 2k23 n ASN 6 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 2k23 s LEU 7 N 0.00 4.38 0.73 3.41 0.05 -1.26 -5.01 118.68 120.99 2k23 s LEU 7 Ca 0.00 2.74 -0.12 0.00 0.05 0.00 0.00 54.13 56.80 2k23 s LEU 7 Cb 0.00 -3.63 0.04 0.00 -2.05 0.00 0.00 46.19 40.54 2k23 s LEU 7 CO 0.00 -0.70 1.09 -0.63 -0.55 0.00 0.00 176.35 175.56 2k23 s ILE 8 N -0.38 3.39 0.00 1.48 1.01 -1.26 -4.78 121.20 120.65 2k23 s ILE 8 Ca 0.57 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.71 2k23 s ILE 8 Cb -0.42 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.03 2k23 s ILE 8 CO 0.48 -0.54 0.22 -2.65 0.00 0.00 0.00 174.94 172.45 2k23 n PRO 9 N -3.20 0.00 -2.72 2.79 -0.02 -1.26 -4.82 135.00 125.77 2k23 n PRO 9 Ca 0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.15 2k23 n PRO 9 Cb 0.53 -0.24 -0.03 0.00 -0.02 0.00 0.00 33.50 33.74 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 0.11 3.06 0.14 3.55 0.00 -1.26 -4.55 121.76 122.81 2k23 s ALA 10 Ca 0.00 -1.15 -0.22 0.00 0.00 0.00 0.00 51.96 50.59 2k23 s ALA 10 Cb 0.00 -3.90 -0.07 0.00 0.00 0.00 0.00 23.12 19.15 2k23 s ALA 10 CO 0.00 -2.60 0.68 -1.25 0.00 0.00 0.00 175.76 172.59 2k23 s PRO 11 N 4.48 4.36 0.94 0.00 0.05 -1.26 -5.07 135.00 138.49 2k23 s PRO 11 Ca 0.35 0.93 -0.11 0.00 0.05 0.00 0.00 61.00 62.21 2k23 s PRO 11 Cb -0.11 -3.19 0.15 0.00 0.05 0.00 0.00 34.50 31.41 2k23 s PRO 11 CO 0.20 0.57 1.09 -1.25 0.05 0.00 0.00 177.00 177.67 2k23 s PRO 12 N -1.28 0.91 0.29 0.56 0.04 -1.26 -4.89 135.00 129.38 2k23 s PRO 12 Ca 0.34 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.46 2k23 s PRO 12 Cb -0.21 -1.75 0.73 0.00 0.04 0.00 0.00 34.50 33.31 2k23 s PRO 12 CO 0.22 -2.54 1.67 1.25 0.04 0.00 0.00 177.00 177.64 2k23 h LEU 13 N -1.78 0.18 0.00 -3.56 7.12 -1.96 -0.26 115.31 115.06 2k23 h LEU 13 Ca -0.49 0.17 0.00 0.00 0.13 0.00 0.00 57.88 57.69 2k23 h LEU 13 Cb 1.28 0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.61 2k23 h LEU 13 CO 0.50 -0.08 0.00 2.30 -0.13 0.00 0.00 178.44 181.03 2k23 n ILE 14 N -5.13 1.57 0.45 4.05 -5.35 -1.26 -0.18 119.36 113.51 2k23 n ILE 14 Ca 0.22 0.39 0.12 0.00 -0.27 0.00 0.00 62.75 63.21 2k23 n ILE 14 Cb 0.68 -1.34 0.12 0.00 -1.74 0.00 0.00 39.64 37.36 2k23 n ILE 14 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2k23 h SER 15 N 0.00 0.00 -3.06 7.28 0.87 -1.38 -3.46 113.55 113.80 2k23 h SER 15 Ca 0.00 -0.17 -0.62 0.00 -1.23 0.00 0.00 61.79 59.77 2k23 h SER 15 Cb 0.05 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.91 2k23 h SER 15 CO 0.00 0.08 -0.47 0.54 -0.53 0.00 0.00 176.83 176.46 2k23 s VAL 16 N -3.22 5.43 0.91 2.23 0.11 0.75 -5.05 120.40 121.55 2k23 s VAL 16 Ca 0.04 0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 59.22 2k23 s VAL 16 Cb 0.12 -3.47 0.14 0.00 -1.53 0.00 0.00 36.38 31.65 2k23 s VAL 16 CO 0.74 0.50 1.11 -2.84 -3.33 0.00 0.00 175.10 171.28 2k23 s PRO 17 N -0.11 1.10 -0.06 1.54 0.02 -1.26 -4.98 135.00 131.25 2k23 s PRO 17 Ca 0.11 1.22 0.04 0.00 0.02 0.00 0.00 61.00 62.39 2k23 s PRO 17 Cb -0.12 -1.76 -0.02 0.00 0.02 0.00 0.00 34.50 32.62 2k23 s PRO 17 CO 0.01 -2.46 -0.17 -1.17 -0.33 0.00 0.00 177.00 172.88 2k23 s LEU 18 N -6.45 2.57 0.43 -5.54 2.96 -1.26 -3.51 118.68 107.88 2k23 s LEU 18 Ca 0.65 -0.29 -0.26 0.00 -0.22 0.00 0.00 54.13 54.01 2k23 s LEU 18 Cb -0.21 -1.52 -0.09 0.00 0.50 0.00 0.00 46.19 44.87 2k23 s LEU 18 CO 0.58 0.30 1.46 0.00 -1.32 0.00 0.00 176.35 177.37 2k23 n GLN 19 N 2.61 2.42 -2.85 1.98 0.00 -0.68 -4.85 117.38 116.01 2k23 n GLN 19 Ca -0.17 0.86 -0.41 0.00 0.00 0.00 0.00 57.00 57.27 2k23 n GLN 19 Cb 0.52 -2.66 -0.04 0.00 0.00 0.00 0.00 30.24 28.07 2k23 n GLN 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2k23 s PRO 20 N -2.34 4.40 -0.26 2.61 0.04 -1.26 -4.37 135.00 133.81 2k23 s PRO 20 Ca 0.58 1.14 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 2k23 s PRO 20 Cb -0.45 -3.52 -0.00 0.00 0.04 0.00 0.00 34.50 30.56 2k23 s PRO 20 CO 0.60 -0.19 0.24 0.41 0.04 0.00 0.00 177.00 178.10 2k23 n GLY 21 N 3.20 -0.42 3.86 0.56 0.00 -1.26 -5.01 105.19 106.11 2k23 n GLY 21 Ca 0.04 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.03 3.58 0.11 1.61 5.36 -1.26 -5.05 117.98 119.30 2k23 s PHE 22 Ca 0.03 0.52 0.03 0.00 -0.96 0.00 0.00 56.93 56.55 2k23 s PHE 22 Cb -0.00 -1.98 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 2k23 s PHE 22 CO 0.24 0.68 -0.08 -1.58 -1.46 0.00 0.00 175.22 173.02 2k23 s TRP 23 N -0.85 1.02 0.12 10.12 0.52 -1.26 -5.02 118.94 123.59 2k23 s TRP 23 Ca 0.14 -0.82 -0.30 0.00 0.02 0.00 0.00 56.10 55.15 2k23 s TRP 23 Cb -0.12 -0.56 -0.08 0.00 -1.15 0.00 0.00 33.47 31.56 2k23 s TRP 23 CO 0.03 -0.06 1.59 1.79 0.02 0.00 0.00 176.95 180.33 2k23 h THR 24 N 3.04 0.20 0.00 2.01 1.35 -1.98 -2.10 112.91 115.41 2k23 h THR 24 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2k23 h THR 24 Cb 1.18 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2k23 h THR 24 CO 0.62 0.00 0.00 -0.33 -0.25 0.00 0.00 175.52 175.56 2k23 h GLU 25 N -0.58 0.00 0.00 4.72 5.08 -1.97 -2.39 114.58 119.43 2k23 h GLU 25 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2k23 h GLU 25 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2k23 h GLU 25 CO -0.27 0.00 -0.05 -0.09 -1.00 0.00 0.00 179.01 177.61 2k23 h ARG 26 N 0.00 0.00 -1.39 2.33 9.65 -1.78 -2.26 114.38 120.94 2k23 h ARG 26 Ca 0.00 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 58.28 2k23 h ARG 26 Cb 0.61 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.79 2k23 h ARG 26 CO 0.00 0.05 -0.51 0.34 2.80 0.00 0.00 179.97 182.65 2k23 n PHE 27 N -3.57 3.23 -4.81 2.20 7.35 -0.90 -4.88 117.46 116.08 2k23 n PHE 27 Ca -0.02 -2.84 -0.25 0.00 -0.76 0.00 0.00 57.45 53.58 2k23 n PHE 27 Cb 0.15 -0.30 -0.15 0.00 0.35 0.00 0.00 39.48 39.54 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 -3.62 1.41 0.00 -4.13 0.74 -0.85 -4.75 119.66 108.47 2k23 s GLN 28 Ca 0.50 -0.60 0.00 0.00 0.05 0.00 0.00 55.36 55.30 2k23 s GLN 28 Cb 0.41 -1.35 0.00 0.00 1.10 0.00 0.00 33.01 33.17 2k23 s GLN 28 CO -0.16 0.35 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 2k23 n GLY 29 N 2.72 0.58 3.65 2.59 0.00 0.16 -4.95 105.19 109.94 2k23 n GLY 29 Ca -0.15 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.22 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 -0.18 4.17 -0.07 1.61 3.00 -1.26 -1.66 118.95 124.56 2k23 s ARG 30 Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 55.73 56.18 2k23 s ARG 30 Cb 0.00 -3.58 0.02 0.00 0.00 0.00 0.00 34.95 31.38 2k23 s ARG 30 CO 0.00 -0.21 -0.11 -1.58 0.00 0.00 0.00 175.30 173.41 2k23 s TRP 31 N 1.82 1.38 0.08 -0.53 0.51 -1.09 -4.78 118.94 116.35 2k23 s TRP 31 Ca 0.24 -0.53 -0.05 0.00 -2.12 0.00 0.00 56.10 53.64 2k23 s TRP 31 Cb -0.15 -1.05 -0.05 0.00 -0.81 0.00 0.00 33.47 31.41 2k23 s TRP 31 CO 0.10 -0.30 0.32 -0.06 -0.51 0.00 0.00 176.95 176.49 2k23 s PHE 32 N 0.83 3.52 -0.63 -1.98 0.40 -0.95 -1.94 117.98 117.23 2k23 s PHE 32 Ca -0.12 0.53 -0.23 0.00 -0.60 0.00 0.00 56.93 56.51 2k23 s PHE 32 Cb -0.15 -1.97 0.06 0.00 0.51 0.00 0.00 43.02 41.47 2k23 s PHE 32 CO 0.02 0.52 0.98 0.08 0.70 0.00 0.00 175.22 177.52 2k23 s VAL 33 N -1.51 4.29 -1.28 -0.44 1.01 -1.07 -1.40 120.40 120.00 2k23 s VAL 33 Ca 0.35 -0.10 0.25 0.00 0.00 0.00 0.00 61.98 62.48 2k23 s VAL 33 Cb -0.13 -4.66 0.10 0.00 0.00 0.00 0.00 36.38 31.69 2k23 s VAL 33 CO 0.22 -1.39 1.46 0.52 0.00 0.00 0.00 175.10 175.91 2k23 n VAL 34 N 6.04 0.00 -3.65 2.92 0.31 0.24 -4.36 118.33 119.83 2k23 n VAL 34 Ca -0.02 -0.05 -0.05 0.00 -0.01 0.00 0.00 64.34 64.21 2k23 n VAL 34 Cb 0.46 0.32 -0.02 0.00 -0.91 0.00 0.00 33.84 33.70 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 -2.82 -0.33 -0.22 2.92 0.00 -0.95 -1.26 107.32 104.66 2k23 s GLY 35 Ca 0.16 0.47 -0.24 0.00 0.00 0.00 0.00 44.72 45.10 2k23 s GLY 35 CO 0.64 0.13 0.67 -2.27 0.00 0.00 0.00 173.10 172.27 2k23 s LEU 36 N -2.77 -0.56 -0.10 0.66 2.96 -0.23 -0.71 118.68 117.93 2k23 s LEU 36 Ca 0.09 1.25 -0.05 0.00 -0.22 0.00 0.00 54.13 55.20 2k23 s LEU 36 Cb -0.01 2.32 0.05 0.00 0.50 0.00 0.00 46.19 49.05 2k23 s LEU 36 CO -0.02 -0.29 0.23 0.00 -1.32 0.00 0.00 176.35 174.95 2k23 s ALA 37 N 0.11 -0.49 0.00 5.97 0.00 0.20 0.85 121.76 128.41 2k23 s ALA 37 Ca -0.02 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2k23 s ALA 37 Cb -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2k23 s ALA 37 CO 0.02 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2k23 n GLY 38 N 4.48 2.28 0.23 0.00 0.00 0.42 0.12 105.19 112.72 2k23 n GLY 38 Ca -0.21 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.08 2k23 n GLY 38 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2k23 h ASN 39 N 0.00 0.00 -0.27 1.61 -0.00 -1.73 -2.09 115.58 113.10 2k23 h ASN 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2k23 h ASN 39 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 2k23 h ASN 39 CO 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 177.43 177.49 2k23 n ALA 40 N -2.12 2.46 -1.77 1.57 0.00 -1.25 -4.95 120.51 114.45 2k23 n ALA 40 Ca 0.02 -0.82 -0.39 0.00 0.00 0.00 0.00 53.44 52.26 2k23 n ALA 40 Cb 0.47 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.66 2.88 -1.25 0.00 1.01 -0.79 -4.93 120.40 115.66 2k23 s VAL 41 Ca 0.36 0.80 -0.20 0.00 0.00 0.00 0.00 61.98 62.94 2k23 s VAL 41 Cb 0.21 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2k23 s VAL 41 CO 0.30 0.13 1.84 0.00 0.00 0.00 0.00 175.10 177.37 2k23 n GLN 42 N 0.36 2.54 -3.77 2.72 1.13 -1.26 -4.86 117.38 114.23 2k23 n GLN 42 Ca 0.03 -2.90 -0.34 0.00 -1.94 0.00 0.00 57.00 51.84 2k23 n GLN 42 Cb 0.44 -3.56 -0.10 0.00 0.11 0.00 0.00 30.24 27.13 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 5.03 2.53 -0.11 -1.09 2.36 -1.26 -2.76 119.74 124.44 2k23 s LYS 43 Ca 0.59 -2.73 -0.04 0.00 -2.55 0.00 0.00 55.97 51.24 2k23 s LYS 43 Cb 0.03 -3.65 -0.03 0.00 -1.05 0.00 0.00 37.83 33.13 2k23 s LYS 43 CO 0.09 -1.18 0.03 1.05 1.55 0.00 0.00 175.35 176.89 2k23 h GLU 44 N 6.63 0.00 0.00 4.03 -0.00 -1.91 -3.47 114.58 119.86 2k23 h GLU 44 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 2k23 h GLU 44 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.65 2k23 h GLU 44 CO 0.72 0.10 0.00 -2.13 -0.00 0.00 0.00 179.01 177.70 2k23 n ARG 45 N -4.73 0.00 0.02 1.06 3.00 -1.26 -5.02 116.66 109.73 2k23 n ARG 45 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2k23 n ARG 45 Cb 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 32.46 32.30 2k23 n ARG 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2k23 n GLN 46 N -0.81 0.00 0.00 -0.14 6.02 -1.26 -5.10 117.38 116.09 2k23 n GLN 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2k23 n GLN 46 Cb 0.00 -0.08 0.00 0.00 1.02 0.00 0.00 30.24 31.18 2k23 n GLN 46 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2k23 n SER 47 N -2.72 0.00 -0.13 1.08 3.41 -1.26 -4.52 113.62 109.47 2k23 n SER 47 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 2k23 n SER 47 Cb 0.00 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.32 2k23 n SER 47 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2k23 n ARG 48 N 0.00 0.48 0.26 4.33 3.00 -1.11 -4.00 116.66 119.62 2k23 n ARG 48 Ca 0.00 -0.26 0.13 0.00 -0.00 0.00 0.00 57.85 57.72 2k23 n ARG 48 Cb 0.00 -1.49 0.70 0.00 0.00 0.00 0.00 32.46 31.66 2k23 n ARG 48 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 2k23 h PHE 49 N 0.64 0.00 0.00 -0.14 3.57 -1.84 -3.48 116.94 115.69 2k23 h PHE 49 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k23 h PHE 49 Cb 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 2k23 h PHE 49 CO 0.00 0.12 0.00 0.25 -2.23 0.00 0.00 178.31 176.45 2k23 n THR 50 N -3.50 0.00 -3.85 4.41 -2.24 -1.26 -4.76 114.28 103.08 2k23 n THR 50 Ca -0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 2k23 n THR 50 Cb 0.28 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.41 2k23 n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k23 s MET 51 N 0.00 0.58 0.33 -0.78 0.23 -0.94 -2.80 119.30 115.92 2k23 s MET 51 Ca 0.00 -0.47 0.01 0.00 -1.03 0.00 0.00 55.69 54.20 2k23 s MET 51 Cb 0.00 0.24 -0.01 0.00 -1.53 0.00 0.00 34.83 33.53 2k23 s MET 51 CO 0.00 -0.15 0.39 1.52 -2.03 0.00 0.00 175.02 174.75 2k23 s TYR 52 N -1.83 1.34 -0.09 3.16 -0.85 -1.26 -4.70 117.35 113.11 2k23 s TYR 52 Ca -0.11 -1.44 0.02 0.00 -0.52 0.00 0.00 57.07 55.02 2k23 s TYR 52 Cb -0.05 -0.34 -0.02 0.00 0.38 0.00 0.00 41.96 41.93 2k23 s TYR 52 CO -0.00 -1.02 -0.14 -1.12 -1.52 0.00 0.00 175.55 171.75 2k23 s SER 53 N -3.29 4.02 -0.38 -0.18 0.01 -1.26 -2.61 113.70 110.01 2k23 s SER 53 Ca 0.35 -0.26 -0.07 0.00 1.31 0.00 0.00 55.95 57.28 2k23 s SER 53 Cb 0.01 -1.25 0.07 0.00 0.21 0.00 0.00 66.02 65.06 2k23 s SER 53 CO 0.23 0.25 0.18 -0.89 0.41 0.00 0.00 173.24 173.43 2k23 s THR 54 N -0.17 3.86 -0.59 1.44 2.01 -0.82 -1.67 115.64 119.70 2k23 s THR 54 Ca -0.00 -1.41 -0.13 0.00 0.31 0.00 0.00 61.69 60.46 2k23 s THR 54 Cb -0.13 -3.34 0.15 0.00 0.01 0.00 0.00 72.50 69.19 2k23 s THR 54 CO 0.03 -0.40 0.51 -0.63 -0.69 0.00 0.00 174.62 173.44 2k23 s ILE 55 N 1.36 4.90 -0.24 1.82 -1.09 0.45 -2.65 121.20 125.75 2k23 s ILE 55 Ca 0.02 -1.92 -0.24 0.00 -2.23 0.00 0.00 60.65 56.28 2k23 s ILE 55 Cb -0.22 -4.14 -0.01 0.00 -1.58 0.00 0.00 42.46 36.52 2k23 s ILE 55 CO 0.01 -0.88 0.81 -0.31 -1.23 0.00 0.00 174.94 173.34 2k23 s TYR 56 N 1.07 3.31 0.01 3.97 2.02 -0.66 0.04 117.35 127.11 2k23 s TYR 56 Ca 0.08 1.11 0.08 0.00 -0.37 0.00 0.00 57.07 57.98 2k23 s TYR 56 Cb -0.24 -3.03 -0.02 0.00 -0.40 0.00 0.00 41.96 38.27 2k23 s TYR 56 CO -0.01 -0.39 -0.25 -2.00 -1.57 0.00 0.00 175.55 171.33 2k23 s GLU 57 N 2.79 1.89 0.22 -0.62 2.12 -0.85 0.36 118.70 124.60 2k23 s GLU 57 Ca 0.34 -0.98 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 2k23 s GLU 57 Cb -0.15 -1.93 -0.08 0.00 0.26 0.00 0.00 34.13 32.22 2k23 s GLU 57 CO 0.08 0.52 1.13 -0.51 -0.54 0.00 0.00 175.26 175.93 2k23 s LEU 58 N -0.88 4.50 0.41 2.70 2.01 -1.26 -0.29 118.68 125.87 2k23 s LEU 58 Ca 0.10 2.20 0.08 0.00 0.01 0.00 0.00 54.13 56.52 2k23 s LEU 58 Cb -0.10 -3.61 -0.03 0.00 0.01 0.00 0.00 46.19 42.46 2k23 s LEU 58 CO 0.00 -0.25 0.34 -1.58 1.01 0.00 0.00 176.35 175.88 2k23 s GLN 59 N -0.72 2.48 0.00 1.70 0.74 -0.93 -4.82 119.66 118.11 2k23 s GLN 59 Ca 0.49 -1.59 0.05 0.00 0.05 0.00 0.00 55.36 54.35 2k23 s GLN 59 Cb -0.31 -2.30 0.21 0.00 1.10 0.00 0.00 33.01 31.71 2k23 s GLN 59 CO 0.38 -0.17 1.06 -0.85 -0.55 0.00 0.00 175.29 175.16 2k23 n GLU 60 N -1.48 0.03 -2.64 1.67 0.28 -1.26 -2.13 120.64 115.10 2k23 n GLU 60 Ca 0.03 0.34 -0.11 0.00 -0.16 0.00 0.00 57.16 57.25 2k23 n GLU 60 Cb 0.62 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 32.02 2k23 n GLU 60 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2k23 n ASP 61 N -1.40 1.82 -0.06 -1.84 2.03 -1.26 -4.98 116.55 110.87 2k23 n ASP 61 Ca 0.02 -2.80 -0.00 0.00 0.52 0.00 0.00 54.79 52.52 2k23 n ASP 61 Cb 0.04 -0.52 -0.00 0.00 -0.72 0.00 0.00 41.12 39.92 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 -0.13 -2.05 -4.66 1.67 0.23 -0.91 -4.89 115.26 104.53 2k23 n ASN 62 Ca 0.12 0.01 -0.43 0.00 -0.53 0.00 0.00 54.58 53.75 2k23 n ASN 62 Cb 0.80 -1.55 -0.02 0.00 -2.08 0.00 0.00 39.78 36.93 2k23 n ASN 62 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2k23 s SER 63 N -0.73 7.00 -0.05 0.53 0.01 -1.26 -4.34 113.70 114.86 2k23 s SER 63 Ca 0.00 1.53 -0.20 0.00 1.31 0.00 0.00 55.95 58.59 2k23 s SER 63 Cb 0.00 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 2k23 s SER 63 CO 0.00 -0.74 0.57 -0.31 0.41 0.00 0.00 173.24 173.18 2k23 s TYR 64 N 3.41 3.61 -0.63 2.43 2.02 0.20 -2.18 117.35 126.21 2k23 s TYR 64 Ca 0.50 1.11 -0.22 0.00 -0.37 0.00 0.00 57.07 58.08 2k23 s TYR 64 Cb -0.18 -2.62 0.07 0.00 -0.40 0.00 0.00 41.96 38.83 2k23 s TYR 64 CO 0.11 0.25 0.91 -0.80 -1.57 0.00 0.00 175.55 174.45 2k23 s ASN 65 N 0.23 6.20 -0.32 2.29 0.01 0.61 -0.86 114.94 123.10 2k23 s ASN 65 Ca 0.30 -0.95 -0.09 0.00 -0.71 0.00 0.00 52.86 51.41 2k23 s ASN 65 Cb -0.17 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2k23 s ASN 65 CO 0.15 -1.34 0.14 -0.69 -1.51 0.00 0.00 177.10 173.86 2k23 s VAL 66 N 3.78 4.39 -0.79 1.60 1.01 0.23 -2.01 120.40 128.61 2k23 s VAL 66 Ca 0.21 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 2k23 s VAL 66 Cb -0.17 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.94 2k23 s VAL 66 CO 0.11 0.01 1.43 -0.89 0.00 0.00 0.00 175.10 175.76 2k23 s THR 67 N 1.56 3.70 -0.79 3.92 2.01 0.11 -0.92 115.64 125.23 2k23 s THR 67 Ca 0.03 0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.99 2k23 s THR 67 Cb -0.18 -4.77 0.21 0.00 0.01 0.00 0.00 72.50 67.77 2k23 s THR 67 CO 0.05 -1.71 0.72 -0.44 -0.69 0.00 0.00 174.62 172.56 2k23 s SER 68 N 4.80 6.63 0.40 3.53 0.01 0.11 -0.42 113.70 128.77 2k23 s SER 68 Ca 0.43 -2.61 -0.24 0.00 1.31 0.00 0.00 55.95 54.85 2k23 s SER 68 Cb -0.07 -2.19 -0.09 0.00 0.21 0.00 0.00 66.02 63.88 2k23 s SER 68 CO 0.10 -0.59 1.04 -0.51 0.41 0.00 0.00 173.24 173.69 2k23 s ILE 69 N 0.30 3.75 -0.02 1.44 2.07 -0.67 -0.47 121.20 127.60 2k23 s ILE 69 Ca 0.16 1.34 -0.20 0.00 -1.41 0.00 0.00 60.65 60.55 2k23 s ILE 69 Cb -0.13 -3.69 0.04 0.00 0.13 0.00 0.00 42.46 38.81 2k23 s ILE 69 CO -0.07 0.01 0.43 -1.48 -1.91 0.00 0.00 174.94 171.91 2k23 s LEU 70 N -2.62 0.36 0.08 8.50 0.05 0.17 -4.10 118.68 121.12 2k23 s LEU 70 Ca 0.57 0.26 -0.30 0.00 0.05 0.00 0.00 54.13 54.71 2k23 s LEU 70 Cb -0.22 1.69 -0.06 0.00 -2.05 0.00 0.00 46.19 45.56 2k23 s LEU 70 CO 0.27 -0.52 1.11 -0.69 -0.55 0.00 0.00 176.35 175.97 2k23 s VAL 71 N -1.42 4.20 0.42 1.48 1.01 -1.26 -1.27 120.40 123.56 2k23 s VAL 71 Ca -0.12 1.67 0.03 0.00 0.00 0.00 0.00 61.98 63.56 2k23 s VAL 71 Cb -0.03 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2k23 s VAL 71 CO 0.05 0.18 0.07 -0.13 0.00 0.00 0.00 175.10 175.27 2k23 s ARG 72 N 0.61 1.94 0.41 2.72 1.81 0.16 -4.91 118.95 121.69 2k23 s ARG 72 Ca 0.54 -2.17 0.18 0.00 -1.72 0.00 0.00 55.73 52.55 2k23 s ARG 72 Cb -0.27 -1.03 1.08 0.00 -0.45 0.00 0.00 34.95 34.28 2k23 s ARG 72 CO 0.30 -0.34 1.82 0.78 -0.68 0.00 0.00 175.30 177.19 2k23 h GLY 73 N 1.74 1.00 -3.99 -3.53 0.00 -1.97 -1.25 103.07 95.06 2k23 h GLY 73 Ca -0.40 -0.20 -0.63 0.00 0.00 0.00 0.00 47.33 46.10 2k23 h GLY 73 CO 0.67 -0.04 0.80 -0.18 0.00 0.00 0.00 176.54 177.78 2k23 n GLN 74 N -4.55 2.57 0.00 4.80 7.27 -1.26 -5.00 117.38 121.21 2k23 n GLN 74 Ca 0.21 -3.22 0.00 0.00 0.07 0.00 0.00 57.00 54.07 2k23 n GLN 74 Cb 0.76 -2.26 0.00 0.00 2.41 0.00 0.00 30.24 31.15 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 -0.98 0.91 3.57 1.69 0.00 -0.47 -4.89 105.19 105.02 2k23 n GLY 75 Ca 0.62 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.26 0.43 -0.35 0.00 3.52 -0.39 -4.79 118.95 115.10 2k23 s ARG 77 Ca 0.21 0.52 -0.21 0.00 -0.13 0.00 0.00 55.73 56.13 2k23 s ARG 77 Cb -0.11 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.48 2k23 s ARG 77 CO 0.14 -0.06 0.64 0.71 -0.81 0.00 0.00 175.30 175.92 2k23 s TYR 78 N 0.25 3.15 -0.50 5.12 2.02 -1.26 -0.66 117.35 125.47 2k23 s TYR 78 Ca -0.00 0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.89 2k23 s TYR 78 Cb -0.03 -3.15 0.08 0.00 -0.40 0.00 0.00 41.96 38.46 2k23 s TYR 78 CO -0.00 -0.63 0.53 -0.46 -1.57 0.00 0.00 175.55 173.42 2k23 s TRP 79 N 2.73 3.14 -0.27 2.71 -0.11 0.37 -4.88 118.94 122.63 2k23 s TRP 79 Ca 0.25 -0.81 -0.13 0.00 1.22 0.00 0.00 56.10 56.62 2k23 s TRP 79 Cb -0.14 -3.46 -0.04 0.00 -1.50 0.00 0.00 33.47 28.32 2k23 s TRP 79 CO 0.15 -0.96 0.29 0.42 -4.62 0.00 0.00 176.95 172.23 2k23 s ILE 80 N 2.13 5.23 0.42 5.86 1.09 -1.26 0.06 121.20 134.74 2k23 s ILE 80 Ca 0.09 0.40 0.04 0.00 -1.10 0.00 0.00 60.65 60.09 2k23 s ILE 80 Cb -0.23 -3.63 -0.02 0.00 -1.06 0.00 0.00 42.46 37.53 2k23 s ILE 80 CO 0.08 0.20 0.16 0.00 -0.10 0.00 0.00 174.94 175.28 2k23 s ARG 81 N 1.90 1.97 -0.21 2.79 1.70 -0.10 -4.87 118.95 122.13 2k23 s ARG 81 Ca 0.12 -2.21 -0.05 0.00 -0.47 0.00 0.00 55.73 53.12 2k23 s ARG 81 Cb -0.16 -0.49 -0.02 0.00 -0.57 0.00 0.00 34.95 33.71 2k23 s ARG 81 CO 0.10 -0.54 -0.00 0.99 -1.08 0.00 0.00 175.30 174.77 2k23 s THR 82 N -3.20 3.85 -0.20 4.99 2.01 -1.25 0.75 115.64 122.59 2k23 s THR 82 Ca 0.24 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 2k23 s THR 82 Cb 0.02 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 2k23 s THR 82 CO 0.16 0.42 0.00 -0.36 -0.69 0.00 0.00 174.62 174.15 2k23 s PHE 83 N 1.17 3.04 0.01 4.92 0.08 -0.04 0.25 117.98 127.41 2k23 s PHE 83 Ca 0.03 -0.49 0.06 0.00 0.12 0.00 0.00 56.93 56.66 2k23 s PHE 83 Cb -0.14 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2k23 s PHE 83 CO 0.01 -0.27 -0.20 0.14 -0.10 0.00 0.00 175.22 174.81 2k23 s VAL 84 N 1.06 1.57 -0.02 -0.44 -7.23 0.11 0.61 120.40 116.06 2k23 s VAL 84 Ca 0.02 -0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.90 2k23 s VAL 84 Cb -0.14 -1.34 -0.07 0.00 0.56 0.00 0.00 36.38 35.39 2k23 s VAL 84 CO 0.02 0.32 1.85 -2.84 -0.31 0.00 0.00 175.10 174.13 2k23 s PRO 85 N -0.78 4.09 0.00 4.82 0.02 -1.26 -0.85 135.00 141.03 2k23 s PRO 85 Ca 0.07 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.47 2k23 s PRO 85 Cb -0.08 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.34 2k23 s PRO 85 CO 0.00 -0.99 0.00 -1.13 -0.33 0.00 0.00 177.00 174.55 2k23 n SER 86 N 7.65 0.00 0.14 2.53 3.41 -0.43 -4.72 113.62 122.20 2k23 n SER 86 Ca 0.19 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.88 2k23 n SER 86 Cb 0.42 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.79 2k23 n SER 86 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k23 n SER 87 N 0.00 0.40 -3.63 4.04 2.88 -1.26 -4.55 113.62 111.49 2k23 n SER 87 Ca 0.00 0.64 -0.13 0.00 -1.33 0.00 0.00 58.87 58.05 2k23 n SER 87 Cb 0.00 -0.66 -0.07 0.00 -0.75 0.00 0.00 64.21 62.73 2k23 n SER 87 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k23 s ARG 88 N -3.36 0.79 -0.00 -1.46 1.70 -1.26 -5.09 118.95 110.27 2k23 s ARG 88 Ca -0.02 0.97 -0.30 0.00 -0.47 0.00 0.00 55.73 55.91 2k23 s ARG 88 Cb 0.04 0.37 -0.08 0.00 -0.57 0.00 0.00 34.95 34.72 2k23 s ARG 88 CO 0.14 -0.10 1.91 -2.14 -1.08 0.00 0.00 175.30 174.03 2k23 s PRO 89 N 0.44 4.09 0.00 3.89 0.02 -1.26 -1.57 135.00 140.61 2k23 s PRO 89 Ca -0.00 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2k23 s PRO 89 Cb -0.05 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.34 2k23 s PRO 89 CO -0.01 -1.00 0.00 0.41 -0.33 0.00 0.00 177.00 176.07 2k23 n GLY 90 N 4.52 3.57 3.61 0.52 0.00 -1.26 -4.94 105.19 111.21 2k23 n GLY 90 Ca 0.20 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 3.86 -0.08 1.61 0.74 -0.61 -3.60 119.66 121.59 2k23 s GLN 91 Ca 0.00 0.72 0.01 0.00 0.05 0.00 0.00 55.36 56.14 2k23 s GLN 91 Cb 0.00 -3.82 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 2k23 s GLN 91 CO 0.00 -1.10 -0.08 -0.06 -0.55 0.00 0.00 175.29 173.50 2k23 s PHE 92 N 3.90 2.91 0.41 1.67 0.08 0.28 -1.32 117.98 125.92 2k23 s PHE 92 Ca 0.44 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.42 2k23 s PHE 92 Cb -0.10 -1.74 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2k23 s PHE 92 CO 0.23 0.22 0.08 -2.37 -0.10 0.00 0.00 175.22 173.28 2k23 n THR 93 N 2.50 0.00 -3.55 0.64 5.66 -0.03 -0.40 114.28 119.09 2k23 n THR 93 Ca -0.18 -2.17 -0.38 0.00 -3.05 0.00 0.00 64.05 58.27 2k23 n THR 93 Cb 0.53 0.64 -0.06 0.00 -1.55 0.00 0.00 70.33 69.88 2k23 n THR 93 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2k23 s LEU 94 N 0.00 4.45 0.59 1.09 2.01 -1.26 0.08 118.68 125.64 2k23 s LEU 94 Ca 0.11 0.88 0.29 0.00 0.01 0.00 0.00 54.13 55.42 2k23 s LEU 94 Cb 0.01 -2.51 1.45 0.00 0.01 0.00 0.00 46.19 45.15 2k23 s LEU 94 CO 0.08 0.32 1.86 1.23 1.01 0.00 0.00 176.35 180.86 2k23 h GLY 95 N 4.84 0.00 -4.67 -3.19 0.00 -0.51 -0.28 103.07 99.27 2k23 h GLY 95 Ca -0.52 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.54 2k23 h GLY 95 CO 0.62 0.00 -1.04 0.70 0.00 0.00 0.00 176.54 176.81 2k23 n ASN 96 N -3.72 2.00 -0.02 0.19 3.02 -1.26 -4.90 115.26 110.57 2k23 n ASN 96 Ca 0.10 -2.34 0.01 0.00 -0.03 0.00 0.00 54.58 52.32 2k23 n ASN 96 Cb 0.74 -0.43 0.33 0.00 -0.61 0.00 0.00 39.78 39.81 2k23 n ASN 96 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2k23 h ILE 97 N 5.14 1.17 -0.02 2.41 6.09 -1.40 -2.28 117.51 128.62 2k23 h ILE 97 Ca -0.07 -0.57 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 2k23 h ILE 97 Cb 1.39 0.74 0.00 0.00 0.47 0.00 0.00 36.82 39.42 2k23 h ILE 97 CO 0.25 0.21 0.00 1.57 -3.07 0.00 0.00 178.15 177.11 2k23 n HIS 98 N -4.35 0.02 0.68 2.19 -0.00 -1.26 -1.09 115.22 111.41 2k23 n HIS 98 Ca 0.02 -0.01 0.12 0.00 0.46 0.00 0.00 57.72 58.32 2k23 n HIS 98 Cb 0.17 0.00 0.27 0.00 -0.12 0.00 0.00 29.99 30.32 2k23 n HIS 98 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k23 n SER 99 N -0.69 0.63 -4.67 0.26 2.88 -0.86 -4.80 113.62 106.38 2k23 n SER 99 Ca 0.14 0.20 -0.39 0.00 -1.33 0.00 0.00 58.87 57.50 2k23 n SER 99 Cb 0.09 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2k23 n SER 99 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2k23 s TYR 100 N -3.11 3.37 -0.06 0.66 1.51 -0.25 -5.00 117.35 114.47 2k23 s TYR 100 Ca 0.09 0.67 -0.24 0.00 -1.01 0.00 0.00 57.07 56.58 2k23 s TYR 100 Cb 0.14 -2.58 -0.26 0.00 -0.11 0.00 0.00 41.96 39.15 2k23 s TYR 100 CO 0.67 -0.04 0.94 -1.00 -1.11 0.00 0.00 175.55 175.02 2k23 h PRO 101 N 7.40 0.19 0.00 -1.71 0.13 -1.87 -3.32 132.00 132.83 2k23 h PRO 101 Ca -0.35 -0.26 -0.05 0.00 -0.87 0.00 0.00 66.00 64.47 2k23 h PRO 101 Cb 1.16 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2k23 h PRO 101 CO 0.72 1.05 -0.23 0.37 -0.23 0.00 0.00 178.00 179.68 2k23 h GLN 102 N -0.53 0.00 -6.13 0.86 4.15 -1.94 -3.43 115.11 108.09 2k23 h GLN 102 Ca -0.06 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.83 2k23 h GLN 102 Cb 1.21 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 2k23 h GLN 102 CO 0.07 0.23 1.31 0.42 -1.93 0.00 0.00 178.83 178.93 2k23 s ILE 103 N -3.65 3.44 0.14 2.39 1.09 -1.25 -1.73 121.20 121.63 2k23 s ILE 103 Ca 0.01 0.37 -0.17 0.00 -1.10 0.00 0.00 60.65 59.75 2k23 s ILE 103 Cb 0.10 -3.81 -0.01 0.00 -1.06 0.00 0.00 42.46 37.68 2k23 s ILE 103 CO 0.64 -0.66 1.77 1.56 -0.10 0.00 0.00 174.94 178.15 2k23 h GLN 104 N 13.92 0.32 -2.05 2.79 1.08 -0.70 -3.46 115.11 127.00 2k23 h GLN 104 Ca -0.29 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.00 2k23 h GLN 104 Cb 1.16 -0.07 -0.17 0.00 -0.05 0.00 0.00 27.48 28.35 2k23 h GLN 104 CO 1.13 0.21 0.53 -1.54 -0.95 0.00 0.00 178.83 178.21 2k23 s SER 105 N -5.41 -0.35 -0.19 1.46 1.04 -1.24 -5.00 113.70 104.02 2k23 s SER 105 Ca -0.13 0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.35 2k23 s SER 105 Cb 0.10 0.35 0.08 0.00 0.10 0.00 0.00 66.02 66.65 2k23 s SER 105 CO 0.71 -0.53 0.17 -0.47 0.98 0.00 0.00 173.24 174.10 2k23 s TYR 106 N -2.61 -0.08 -0.07 5.02 6.14 -1.26 -1.40 117.35 123.09 2k23 s TYR 106 Ca 0.04 0.00 -0.04 0.00 0.64 0.00 0.00 57.07 57.70 2k23 s TYR 106 Cb -0.01 -0.50 0.03 0.00 0.42 0.00 0.00 41.96 41.90 2k23 s TYR 106 CO -0.06 -0.56 0.17 -0.51 0.64 0.00 0.00 175.55 175.22 2k23 s ASP 107 N 2.25 -0.16 -0.03 4.32 1.01 -0.96 -4.12 116.67 118.99 2k23 s ASP 107 Ca 0.05 0.34 0.03 0.00 0.71 0.00 0.00 52.55 53.68 2k23 s ASP 107 Cb -0.16 0.28 0.00 0.00 1.01 0.00 0.00 42.92 44.06 2k23 s ASP 107 CO -0.11 -0.10 -0.11 0.68 0.21 0.00 0.00 175.17 175.73 2k23 s VAL 108 N 0.65 0.97 -0.06 -1.27 -7.23 0.46 -1.94 120.40 111.98 2k23 s VAL 108 Ca -0.05 -0.47 0.04 0.00 -1.81 0.00 0.00 61.98 59.69 2k23 s VAL 108 Cb -0.06 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 36.03 2k23 s VAL 108 CO -0.03 0.29 -0.18 -1.10 -0.31 0.00 0.00 175.10 173.77 2k23 s GLN 109 N 0.10 2.08 -0.24 4.82 -0.21 -0.70 0.10 119.66 125.61 2k23 s GLN 109 Ca -0.02 -0.65 -0.17 0.00 0.02 0.00 0.00 55.36 54.54 2k23 s GLN 109 Cb -0.09 -1.72 -0.03 0.00 1.00 0.00 0.00 33.01 32.16 2k23 s GLN 109 CO 0.01 0.20 0.45 0.54 -2.12 0.00 0.00 175.29 174.36 2k23 s VAL 110 N 0.21 5.13 0.22 1.09 0.11 -1.24 -0.36 120.40 125.57 2k23 s VAL 110 Ca -0.09 0.76 -0.04 0.00 -2.93 0.00 0.00 61.98 59.68 2k23 s VAL 110 Cb -0.14 -3.77 0.07 0.00 -1.53 0.00 0.00 36.38 31.01 2k23 s VAL 110 CO 0.04 0.15 1.67 0.00 -3.33 0.00 0.00 175.10 173.64 2k23 h ALA 111 N 7.85 0.94 -2.70 1.54 0.00 0.02 -1.80 119.26 125.11 2k23 h ALA 111 Ca -0.32 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.13 2k23 h ALA 111 Cb 1.15 -0.18 -0.28 0.00 0.00 0.00 0.00 17.79 18.49 2k23 h ALA 111 CO 0.70 0.62 -0.36 0.16 0.00 0.00 0.00 179.25 180.37 2k23 s ASP 112 N -6.69 -0.37 -0.06 0.00 -4.77 -1.25 -3.27 116.67 100.26 2k23 s ASP 112 Ca -0.10 0.83 -0.01 0.00 -3.30 0.00 0.00 52.55 49.97 2k23 s ASP 112 Cb 0.14 0.80 0.03 0.00 -1.09 0.00 0.00 42.92 42.80 2k23 s ASP 112 CO 0.83 -0.20 -0.00 0.28 0.70 0.00 0.00 175.17 176.78 2k23 s THR 113 N 1.66 0.37 0.11 2.11 -1.32 -1.26 -1.89 115.64 115.42 2k23 s THR 113 Ca -0.07 0.09 -0.02 0.00 -1.21 0.00 0.00 61.69 60.48 2k23 s THR 113 Cb -0.10 -0.51 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 2k23 s THR 113 CO -0.12 0.25 0.05 -0.62 -2.21 0.00 0.00 174.62 171.97 2k23 s ASP 114 N 1.77 0.34 0.06 8.08 2.15 -1.17 -5.01 116.67 122.89 2k23 s ASP 114 Ca 0.02 -1.10 -0.15 0.00 0.43 0.00 0.00 52.55 51.75 2k23 s ASP 114 Cb -0.13 0.28 -0.24 0.00 -0.30 0.00 0.00 42.92 42.53 2k23 s ASP 114 CO -0.04 -0.70 1.16 0.10 -0.17 0.00 0.00 175.17 175.52 2k23 h TYR 115 N 2.93 0.98 0.00 -5.34 -0.00 -1.91 -3.38 116.97 110.24 2k23 h TYR 115 Ca -0.34 -0.54 -0.39 0.00 0.00 0.00 0.00 58.73 57.45 2k23 h TYR 115 Cb 1.18 -0.11 -0.07 0.00 0.00 0.00 0.00 36.73 37.74 2k23 h TYR 115 CO 0.46 1.38 -2.48 -3.47 -0.00 0.00 0.00 178.16 174.05 2k23 n ASP 116 N -3.91 1.95 -4.02 0.10 2.03 -1.26 -3.62 116.55 107.82 2k23 n ASP 116 Ca -0.11 -0.14 -0.30 0.00 0.52 0.00 0.00 54.79 54.76 2k23 n ASP 116 Cb 0.86 -0.39 0.22 0.00 -0.72 0.00 0.00 41.12 41.09 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 -2.52 -0.61 0.52 -0.67 -1.52 -1.26 -4.49 119.66 109.10 2k23 s GLN 117 Ca -0.35 -0.04 0.08 0.00 -1.95 0.00 0.00 55.36 53.11 2k23 s GLN 117 Cb 0.09 -1.67 0.08 0.00 -0.22 0.00 0.00 33.01 31.30 2k23 s GLN 117 CO 0.60 -3.31 0.69 1.97 -0.25 0.00 0.00 175.29 174.99 2k23 n PHE 118 N -4.48 -2.19 -3.73 0.91 -1.74 -1.26 -4.16 117.46 100.81 2k23 n PHE 118 Ca 0.12 -1.93 -0.15 0.00 -0.56 0.00 0.00 57.45 54.93 2k23 n PHE 118 Cb 0.59 -0.49 -0.16 0.00 1.52 0.00 0.00 39.48 40.95 2k23 n PHE 118 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k23 s ALA 119 N -2.64 -0.08 -0.36 1.98 0.00 0.81 -3.03 121.76 118.45 2k23 s ALA 119 Ca 0.52 0.48 -0.06 0.00 0.00 0.00 0.00 51.96 52.90 2k23 s ALA 119 Cb -0.04 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.65 2k23 s ALA 119 CO 0.33 -0.26 0.14 -1.64 0.00 0.00 0.00 175.76 174.33 2k23 s MET 120 N 1.47 2.56 -0.12 0.00 -1.94 -0.79 0.42 119.30 120.90 2k23 s MET 120 Ca -0.05 -1.29 0.01 0.00 -1.71 0.00 0.00 55.69 52.65 2k23 s MET 120 Cb -0.12 -3.52 -0.01 0.00 2.01 0.00 0.00 34.83 33.18 2k23 s MET 120 CO -0.05 -0.75 -0.16 0.08 -0.01 0.00 0.00 175.02 174.13 2k23 s VAL 121 N 1.38 2.76 -0.41 -6.03 1.01 -0.93 0.51 120.40 118.69 2k23 s VAL 121 Ca -0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 2k23 s VAL 121 Cb -0.20 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.06 2k23 s VAL 121 CO 0.02 0.54 0.48 0.12 0.00 0.00 0.00 175.10 176.26 2k23 s PHE 122 N 0.27 3.15 -0.23 5.22 2.19 0.51 0.14 117.98 129.24 2k23 s PHE 122 Ca -0.12 -0.25 -0.16 0.00 0.33 0.00 0.00 56.93 56.74 2k23 s PHE 122 Cb -0.16 -2.97 -0.04 0.00 -1.31 0.00 0.00 43.02 38.54 2k23 s PHE 122 CO 0.06 -0.71 0.40 -0.06 1.83 0.00 0.00 175.22 176.75 2k23 s PHE 123 N 2.28 3.33 -0.13 10.12 0.40 0.14 -1.72 117.98 132.39 2k23 s PHE 123 Ca 0.15 0.56 0.02 0.00 -0.60 0.00 0.00 56.93 57.06 2k23 s PHE 123 Cb -0.16 -2.56 0.00 0.00 0.51 0.00 0.00 43.02 40.81 2k23 s PHE 123 CO 0.14 -0.10 -0.21 -1.14 0.70 0.00 0.00 175.22 174.61 2k23 s GLN 124 N 1.64 3.08 -0.18 0.44 0.74 -0.82 -1.02 119.66 123.53 2k23 s GLN 124 Ca 0.18 -0.83 -0.00 0.00 0.05 0.00 0.00 55.36 54.75 2k23 s GLN 124 Cb -0.15 -2.45 0.04 0.00 1.10 0.00 0.00 33.01 31.56 2k23 s GLN 124 CO 0.09 0.04 -0.06 0.21 -0.55 0.00 0.00 175.29 175.02 2k23 s LYS 125 N 0.69 1.56 -0.14 1.67 2.20 0.20 -2.26 119.74 123.67 2k23 s LYS 125 Ca -0.10 -0.65 -0.07 0.00 -0.36 0.00 0.00 55.97 54.80 2k23 s LYS 125 Cb -0.16 -2.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.94 2k23 s LYS 125 CO 0.01 -0.46 0.10 0.99 -0.36 0.00 0.00 175.35 175.63 2k23 s THR 126 N 1.56 5.14 -0.23 3.43 2.01 -0.49 -0.12 115.64 126.94 2k23 s THR 126 Ca -0.01 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.98 2k23 s THR 126 Cb -0.16 -3.26 0.09 0.00 0.01 0.00 0.00 72.50 69.19 2k23 s THR 126 CO -0.08 0.56 0.51 -0.44 -0.69 0.00 0.00 174.62 174.48 2k23 s SER 127 N -0.52 -0.60 -1.39 3.53 0.01 0.44 -0.01 113.70 115.16 2k23 s SER 127 Ca 0.11 1.18 -0.09 0.00 1.31 0.00 0.00 55.95 58.46 2k23 s SER 127 Cb -0.12 1.50 0.03 0.00 0.21 0.00 0.00 66.02 67.63 2k23 s SER 127 CO 0.02 -0.22 1.13 1.21 0.41 0.00 0.00 173.24 175.78 2k23 n GLU 128 N 5.09 -7.35 -0.16 12.44 4.07 -0.70 -0.52 120.64 133.50 2k23 n GLU 128 Ca -0.13 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 57.75 2k23 n GLU 128 Cb 0.51 -5.79 0.00 0.00 -0.06 0.00 0.00 31.44 26.10 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 -2.99 0.00 -4.62 4.31 4.05 -1.26 -4.93 115.26 109.82 2k23 n ASN 129 Ca -0.01 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.59 2k23 n ASN 129 Cb 0.56 -0.99 -0.02 0.00 1.23 0.00 0.00 39.78 40.56 2k23 n ASN 129 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2k23 s LYS 130 N -0.13 3.90 -0.31 1.20 -0.14 0.32 -5.00 119.74 119.58 2k23 s LYS 130 Ca 0.00 0.88 -0.18 0.00 -1.36 0.00 0.00 55.97 55.31 2k23 s LYS 130 Cb 0.00 -3.83 -0.01 0.00 -1.68 0.00 0.00 37.83 32.31 2k23 s LYS 130 CO 0.00 -1.14 0.54 -0.65 -0.76 0.00 0.00 175.35 173.33 2k23 s GLN 131 N 4.07 3.86 -0.10 1.68 -0.21 -1.26 -0.42 119.66 127.27 2k23 s GLN 131 Ca 0.48 0.12 0.01 0.00 0.02 0.00 0.00 55.36 55.99 2k23 s GLN 131 Cb -0.11 -3.73 -0.02 0.00 1.00 0.00 0.00 33.01 30.16 2k23 s GLN 131 CO 0.23 -0.51 -0.14 0.71 -2.12 0.00 0.00 175.29 173.46 2k23 s TYR 132 N 2.41 2.78 -0.16 0.91 1.51 0.83 -4.72 117.35 120.90 2k23 s TYR 132 Ca 0.21 -0.50 -0.19 0.00 -1.01 0.00 0.00 57.07 55.58 2k23 s TYR 132 Cb -0.15 -1.78 0.05 0.00 -0.11 0.00 0.00 41.96 39.97 2k23 s TYR 132 CO 0.11 -0.09 0.52 -0.59 -1.11 0.00 0.00 175.55 174.40 2k23 s PHE 133 N 0.01 -0.55 0.08 2.71 -0.71 -1.26 0.62 117.98 118.88 2k23 s PHE 133 Ca -0.04 1.27 -0.18 0.00 -1.04 0.00 0.00 56.93 56.94 2k23 s PHE 133 Cb -0.14 0.21 0.04 0.00 -1.21 0.00 0.00 43.02 41.92 2k23 s PHE 133 CO 0.04 -0.33 0.42 -1.59 -1.34 0.00 0.00 175.22 172.42 2k23 s LYS 134 N -0.05 1.00 -0.17 1.99 -2.85 -0.19 -2.68 119.74 116.78 2k23 s LYS 134 Ca -0.03 -0.50 -0.04 0.00 -1.00 0.00 0.00 55.97 54.40 2k23 s LYS 134 Cb -0.03 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 2k23 s LYS 134 CO 0.02 -0.37 -0.02 0.54 0.10 0.00 0.00 175.35 175.63 2k23 s VAL 135 N -3.05 4.00 0.21 1.79 0.11 0.33 0.27 120.40 124.05 2k23 s VAL 135 Ca -0.02 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 2k23 s VAL 135 Cb 0.00 -2.77 -0.03 0.00 -1.53 0.00 0.00 36.38 32.05 2k23 s VAL 135 CO -0.07 0.47 0.35 0.42 -3.33 0.00 0.00 175.10 172.94 2k23 s THR 136 N 0.51 5.27 -0.32 5.04 -4.23 0.37 -0.63 115.64 121.65 2k23 s THR 136 Ca -0.02 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 2k23 s THR 136 Cb -0.14 -3.80 0.09 0.00 1.34 0.00 0.00 72.50 69.99 2k23 s THR 136 CO 0.02 -0.23 0.01 -0.22 -0.54 0.00 0.00 174.62 173.67 2k23 s LEU 137 N -3.63 4.24 0.24 4.79 1.98 0.12 -2.18 118.68 124.23 2k23 s LEU 137 Ca 0.35 -1.92 0.05 0.00 -2.89 0.00 0.00 54.13 49.72 2k23 s LEU 137 Cb -0.10 -1.55 -0.03 0.00 0.66 0.00 0.00 46.19 45.17 2k23 s LEU 137 CO 0.29 -0.33 0.33 -0.31 -1.89 0.00 0.00 176.35 174.44 2k23 s TYR 138 N 1.01 3.40 0.31 5.38 2.02 0.17 0.80 117.35 130.43 2k23 s TYR 138 Ca 0.06 -0.03 -0.13 0.00 -0.37 0.00 0.00 57.07 56.60 2k23 s TYR 138 Cb -0.19 -1.55 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2k23 s TYR 138 CO -0.08 0.46 0.60 0.20 -1.57 0.00 0.00 175.55 175.15 2k23 s GLY 139 N -3.92 0.61 0.18 0.71 0.00 -0.49 -0.13 107.32 104.27 2k23 s GLY 139 Ca 0.34 -0.90 -0.14 0.00 0.00 0.00 0.00 44.72 44.02 2k23 s GLY 139 CO 0.28 -0.54 1.69 -0.09 0.00 0.00 0.00 173.10 174.44 2k23 h ARG 140 N 2.11 0.12 0.00 2.90 9.65 -1.72 -2.53 114.38 124.91 2k23 h ARG 140 Ca -0.27 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 2k23 h ARG 140 Cb 1.25 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 2k23 h ARG 140 CO 0.35 0.08 0.00 -2.37 2.80 0.00 0.00 179.97 180.83 2k23 n THR 141 N -5.21 0.00 1.11 0.20 5.66 -1.26 -4.50 114.28 110.28 2k23 n THR 141 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 2k23 n THR 141 Cb 0.25 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 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 0.87 -3.77 1.09 5.02 -1.26 -4.49 118.16 115.62 2k23 n LYS 142 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2k23 n LYS 142 Cb 0.00 -1.32 -0.13 0.00 -0.02 0.00 0.00 35.03 33.56 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 -0.40 1.89 0.10 0.72 0.00 -1.26 -5.06 107.32 103.32 2k23 s GLY 143 Ca 0.00 -2.79 0.07 0.00 0.00 0.00 0.00 44.72 42.00 2k23 s GLY 143 CO 0.00 1.40 -0.18 1.08 0.00 0.00 0.00 173.10 175.41 2k23 s LEU 144 N 0.15 2.33 0.43 0.66 1.43 -1.26 -4.84 118.68 117.57 2k23 s LEU 144 Ca 0.18 -0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 52.32 2k23 s LEU 144 Cb -0.24 -0.72 -0.08 0.00 0.03 0.00 0.00 46.19 45.18 2k23 s LEU 144 CO -0.00 -0.02 1.34 -0.55 0.23 0.00 0.00 176.35 177.34 2k23 s SER 145 N -2.03 6.08 0.59 2.29 0.15 -1.26 -4.89 113.70 114.62 2k23 s SER 145 Ca 0.05 2.73 0.35 0.00 0.70 0.00 0.00 55.95 59.78 2k23 s SER 145 Cb -0.09 -2.64 1.84 0.00 -1.71 0.00 0.00 66.02 63.42 2k23 s SER 145 CO 0.04 -1.02 2.19 0.44 1.20 0.00 0.00 173.24 176.09 2k23 h ASP 146 N 2.43 0.00 -0.11 5.45 3.32 -2.00 -2.56 116.42 122.95 2k23 h ASP 146 Ca -0.50 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.56 2k23 h ASP 146 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2k23 h ASP 146 CO 0.61 0.04 0.05 -0.08 -1.72 0.00 0.00 179.24 178.15 2k23 h GLU 147 N 0.00 0.11 0.00 3.56 4.81 -1.99 0.21 114.58 121.28 2k23 h GLU 147 Ca -0.00 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 2k23 h GLU 147 Cb 0.19 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2k23 h GLU 147 CO 0.01 0.07 -0.38 1.37 -0.73 0.00 0.00 179.01 179.35 2k23 h LEU 148 N 0.11 0.00 0.15 1.64 8.10 -1.84 -1.05 115.31 122.42 2k23 h LEU 148 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.03 2k23 h LEU 148 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 2k23 h LEU 148 CO -0.03 0.38 -0.07 0.11 -4.11 0.00 0.00 178.44 174.71 2k23 h LYS 149 N 0.00 -0.19 -0.56 0.17 1.57 -1.26 -2.30 116.57 114.00 2k23 h LYS 149 Ca -0.00 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2k23 h LYS 149 Cb 0.71 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 2k23 h LYS 149 CO 0.05 0.18 0.38 0.93 -0.57 0.00 0.00 179.45 180.42 2k23 h GLU 150 N -0.60 0.41 -0.56 3.15 4.39 -0.38 0.35 114.58 121.35 2k23 h GLU 150 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k23 h GLU 150 Cb 0.46 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2k23 h GLU 150 CO 0.03 0.27 0.37 -0.09 -1.16 0.00 0.00 179.01 178.43 2k23 h ARG 151 N 0.43 0.74 -0.53 2.33 2.43 -1.06 -1.51 114.38 117.20 2k23 h ARG 151 Ca 0.26 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2k23 h ARG 151 Cb 0.45 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2k23 h ARG 151 CO -0.07 0.49 -0.08 0.27 -1.51 0.00 0.00 179.97 179.07 2k23 h PHE 152 N 0.76 1.11 -0.74 2.20 -5.15 -0.39 -1.04 116.94 113.69 2k23 h PHE 152 Ca 0.20 -0.22 -0.03 0.00 -0.20 0.00 0.00 57.97 57.72 2k23 h PHE 152 Cb -0.08 -0.28 -0.03 0.00 0.22 0.00 0.00 35.95 35.78 2k23 h PHE 152 CO -0.03 1.03 0.34 -0.39 -2.00 0.00 0.00 178.31 177.25 2k23 h VAL 153 N 0.87 1.24 -0.28 0.88 -1.51 -1.10 0.27 116.25 116.61 2k23 h VAL 153 Ca 0.14 -0.70 -0.07 0.00 -1.23 0.00 0.00 66.70 64.85 2k23 h VAL 153 Cb 0.64 0.31 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 2k23 h VAL 153 CO 0.04 0.29 -0.11 0.28 -1.23 0.00 0.00 177.57 176.84 2k23 h SER 154 N 1.06 0.46 0.06 4.19 0.02 -0.92 -1.42 113.55 117.00 2k23 h SER 154 Ca 0.25 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 2k23 h SER 154 Cb 0.14 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2k23 h SER 154 CO -0.03 0.61 -0.42 0.15 -1.14 0.00 0.00 176.83 176.00 2k23 h PHE 155 N 0.44 0.53 -0.53 3.45 3.57 0.16 -2.43 116.94 122.14 2k23 h PHE 155 Ca 0.08 -0.15 0.07 0.00 3.53 0.00 0.00 57.97 61.50 2k23 h PHE 155 Cb 0.47 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 2k23 h PHE 155 CO 0.01 0.80 0.19 0.00 -2.23 0.00 0.00 178.31 177.08 2k23 h ALA 156 N 1.18 0.65 0.00 2.41 0.00 0.56 -0.62 119.26 123.45 2k23 h ALA 156 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k23 h ALA 156 Cb 0.89 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k23 h ALA 156 CO 0.08 -0.21 -0.12 0.87 0.00 0.00 0.00 179.25 179.87 2k23 h LYS 157 N 0.37 0.00 0.00 0.00 6.56 -1.30 -1.74 116.57 120.46 2k23 h LYS 157 Ca 0.26 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.72 2k23 h LYS 157 Cb 0.29 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.93 2k23 h LYS 157 CO -0.26 0.12 -0.60 1.03 -2.06 0.00 0.00 179.45 177.68 2k23 h SER 158 N 0.00 0.00 0.52 0.86 0.87 -0.63 -2.23 113.55 112.93 2k23 h SER 158 Ca -0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.40 2k23 h SER 158 Cb 0.71 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2k23 h SER 158 CO 0.02 0.60 -0.68 -0.07 -0.53 0.00 0.00 176.83 176.16 2k23 h LEU 159 N 0.00 0.17 0.00 2.23 -0.00 -1.19 -3.47 115.31 113.05 2k23 h LEU 159 Ca -0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2k23 h LEU 159 Cb 1.09 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2k23 h LEU 159 CO 0.08 0.80 0.00 0.61 -0.00 0.00 0.00 178.44 179.93 2k23 n GLY 160 N 0.43 -0.34 1.80 0.83 0.00 -0.84 -4.60 105.19 102.48 2k23 n GLY 160 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2k23 n GLY 160 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k23 n LEU 161 N 0.00 0.00 -3.82 0.99 4.77 -0.67 -4.59 117.00 113.68 2k23 n LEU 161 Ca 0.00 -0.90 -0.11 0.00 -0.03 0.00 0.00 56.01 54.97 2k23 n LEU 161 Cb 0.00 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 2k23 n LEU 161 CO 0.00 -0.78 -0.06 -1.59 -1.33 0.00 0.00 177.39 173.63 2k23 s LYS 162 N -3.83 0.67 0.64 3.23 0.00 -1.26 -3.70 119.74 115.49 2k23 s LYS 162 Ca 0.32 -0.47 0.31 0.00 0.00 0.00 0.00 55.97 56.13 2k23 s LYS 162 Cb -0.02 0.28 1.69 0.00 0.00 0.00 0.00 37.83 39.79 2k23 s LYS 162 CO 0.21 -0.19 1.99 0.22 0.00 0.00 0.00 175.35 177.58 2k23 h ASP 163 N 3.65 0.00 0.29 0.03 3.58 -1.92 0.16 116.42 122.21 2k23 h ASP 163 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2k23 h ASP 163 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2k23 h ASP 163 CO 0.45 0.00 0.00 -1.13 -2.88 0.00 0.00 179.24 175.68 2k23 h ASN 164 N 0.00 0.00 -0.57 2.28 -0.00 -2.00 -1.90 115.58 113.39 2k23 h ASN 164 Ca 0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 56.30 55.99 2k23 h ASN 164 Cb 0.66 0.00 -0.41 0.00 -0.00 0.00 0.00 38.32 38.57 2k23 h ASN 164 CO -0.00 0.00 -1.00 -3.20 -0.00 0.00 0.00 177.43 173.23 2k23 n ASN 165 N -2.65 2.91 -4.03 1.15 2.85 0.57 -4.91 115.26 111.15 2k23 n ASN 165 Ca -0.01 -2.72 -0.27 0.00 -0.11 0.00 0.00 54.58 51.47 2k23 n ASN 165 Cb 0.12 -0.43 -0.17 0.00 1.24 0.00 0.00 39.78 40.55 2k23 n ASN 165 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k23 s ILE 166 N -4.13 1.34 0.46 -1.44 1.01 -0.72 -0.44 121.20 117.29 2k23 s ILE 166 Ca 0.37 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.49 2k23 s ILE 166 Cb 0.36 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 2k23 s ILE 166 CO -0.01 0.41 0.05 0.68 0.00 0.00 0.00 174.94 176.07 2k23 s VAL 167 N 0.99 1.08 0.19 2.92 -7.23 0.25 -4.94 120.40 113.66 2k23 s VAL 167 Ca -0.07 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.14 2k23 s VAL 167 Cb -0.15 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 2k23 s VAL 167 CO -0.01 0.00 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.35 2k23 s PHE 168 N -2.99 1.46 0.32 2.82 0.08 -1.26 -1.07 117.98 117.34 2k23 s PHE 168 Ca 0.16 -0.79 -0.29 0.00 0.12 0.00 0.00 56.93 56.13 2k23 s PHE 168 Cb 0.03 -0.78 -0.12 0.00 -0.57 0.00 0.00 43.02 41.58 2k23 s PHE 168 CO 0.09 0.08 1.35 -1.13 -0.10 0.00 0.00 175.22 175.51 2k23 n SER 169 N -0.32 2.92 -4.05 1.36 3.41 -0.39 -4.37 113.62 112.18 2k23 n SER 169 Ca -0.08 1.19 -0.29 0.00 -0.26 0.00 0.00 58.87 59.44 2k23 n SER 169 Cb 0.62 -1.49 -0.17 0.00 -0.26 0.00 0.00 64.21 62.91 2k23 n SER 169 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2k23 s VAL 170 N -0.81 1.52 -1.02 -3.33 1.01 -1.12 -4.89 120.40 111.76 2k23 s VAL 170 Ca 0.58 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 2k23 s VAL 170 Cb -0.57 -1.40 -0.22 0.00 0.00 0.00 0.00 36.38 34.19 2k23 s VAL 170 CO 0.59 0.45 2.08 -2.65 0.00 0.00 0.00 175.10 175.57 2k23 n PRO 171 N 4.33 0.11 -1.75 2.72 -0.02 -1.26 -2.22 135.00 136.91 2k23 n PRO 171 Ca -0.18 -1.58 -0.34 0.00 -2.02 0.00 0.00 63.50 59.38 2k23 n PRO 171 Cb 0.51 -3.80 0.05 0.00 -0.02 0.00 0.00 33.50 30.24 2k23 n PRO 171 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2k23 s THR 172 N 16.55 3.01 -0.98 3.45 -1.32 -1.26 -4.94 115.64 130.14 2k23 s THR 172 Ca 0.79 0.50 -0.13 0.00 -1.21 0.00 0.00 61.69 61.63 2k23 s THR 172 Cb -0.05 -3.04 0.21 0.00 -1.51 0.00 0.00 72.50 68.11 2k23 s THR 172 CO 0.18 -0.27 1.02 -0.62 -2.21 0.00 0.00 174.62 172.72 2k23 s ASP 173 N -2.34 6.94 0.32 8.08 2.15 -1.26 -4.92 116.67 125.64 2k23 s ASP 173 Ca 0.69 -2.87 -0.11 0.00 0.43 0.00 0.00 52.55 50.69 2k23 s ASP 173 Cb -0.23 -2.27 0.02 0.00 -0.30 0.00 0.00 42.92 40.14 2k23 s ASP 173 CO 0.40 -0.61 0.59 -1.10 -0.17 0.00 0.00 175.17 174.29 2k23 s GLN 174 N 0.41 1.88 0.05 4.34 -1.52 -1.26 -4.98 119.66 118.58 2k23 s GLN 174 Ca 0.28 -1.43 -0.18 0.00 -1.95 0.00 0.00 55.36 52.07 2k23 s GLN 174 Cb -0.08 0.52 -0.08 0.00 -0.22 0.00 0.00 33.01 33.15 2k23 s GLN 174 CO -0.08 -0.82 1.28 0.00 -0.25 0.00 0.00 175.29 175.42 2k23 n ILE 176 N -3.98 -0.57 -4.01 0.00 3.06 -1.26 -4.90 119.36 107.70 2k23 n ILE 176 Ca -0.05 -0.29 -0.35 0.00 -2.50 0.00 0.00 62.75 59.57 2k23 n ILE 176 Cb 0.21 -0.71 -0.13 0.00 0.54 0.00 0.00 39.64 39.55 2k23 n ILE 176 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2k23 s ASP 177 N -3.77 4.79 0.00 9.51 2.15 -1.26 -4.95 116.67 123.14 2k23 s ASP 177 Ca 0.24 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 52.99 2k23 s ASP 177 Cb -0.14 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.65 2k23 s ASP 177 CO 0.87 0.04 0.01 -0.46 -0.17 0.00 0.00 175.17 175.45