#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k22 s VAL 2 N 0.00 1.80 -0.09 1.12 -7.23 0.83 -4.02 120.40 112.82 2k22 s VAL 2 Ca 0.00 -0.90 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 2k22 s VAL 2 Cb 0.00 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 2k22 s VAL 2 CO 0.00 0.50 -0.18 -0.89 -0.31 0.00 0.00 175.10 174.23 2k22 s THR 3 N 0.17 2.69 0.41 5.32 2.01 -1.26 -1.52 115.64 123.47 2k22 s THR 3 Ca -0.11 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.09 2k22 s THR 3 Cb -0.15 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.32 2k22 s THR 3 CO 0.05 0.56 0.20 1.33 -0.69 0.00 0.00 174.62 176.07 2k22 n VAL 4 N 3.03 0.00 -3.50 3.82 0.24 -1.25 -0.12 118.33 120.54 2k22 n VAL 4 Ca -0.18 -1.76 -0.15 0.00 -2.04 0.00 0.00 64.34 60.22 2k22 n VAL 4 Cb 0.52 0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.91 2k22 n VAL 4 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2k22 s ARG 5 N -3.62 1.12 -0.06 7.34 0.52 -1.21 -4.85 118.95 118.19 2k22 s ARG 5 Ca 0.15 -0.11 -0.06 0.00 -0.52 0.00 0.00 55.73 55.19 2k22 s ARG 5 Cb -0.01 0.52 0.02 0.00 0.52 0.00 0.00 34.95 35.99 2k22 s ARG 5 CO 0.10 -0.42 0.17 0.71 0.02 0.00 0.00 175.30 175.88 2k22 s TYR 6 N -2.36 -0.17 0.37 -0.53 2.02 -1.26 -3.85 117.35 111.58 2k22 s TYR 6 Ca -0.06 0.40 0.05 0.00 -0.37 0.00 0.00 57.07 57.10 2k22 s TYR 6 Cb -0.01 0.05 0.05 0.00 -0.40 0.00 0.00 41.96 41.66 2k22 s TYR 6 CO -0.01 -0.12 0.45 0.66 -1.57 0.00 0.00 175.55 174.97 2k22 n TYR 7 N 2.79 -2.08 -0.25 2.71 4.02 -1.26 -4.93 117.16 118.16 2k22 n TYR 7 Ca -0.14 -1.42 0.23 0.00 -0.01 0.00 0.00 57.90 56.57 2k22 n TYR 7 Cb 0.58 -0.34 0.58 0.00 -0.02 0.00 0.00 39.34 40.14 2k22 n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k22 h ALA 8 N 0.38 2.43 -0.92 -0.72 0.00 -1.99 0.99 119.26 119.44 2k22 h ALA 8 Ca -0.19 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k22 h ALA 8 Cb 0.82 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2k22 h ALA 8 CO 0.28 -0.74 0.59 1.79 0.00 0.00 0.00 179.25 181.17 2k22 h THR 9 N 0.27 1.11 -0.85 0.00 1.35 -2.01 -2.10 112.91 110.69 2k22 h THR 9 Ca 0.49 -0.38 -0.54 0.00 -0.55 0.00 0.00 66.41 65.43 2k22 h THR 9 Cb 1.45 -0.09 -0.29 0.00 -1.73 0.00 0.00 68.15 67.49 2k22 h THR 9 CO -0.15 0.20 0.37 0.18 -0.25 0.00 0.00 175.52 175.87 2k22 n LEU 10 N -4.54 6.42 0.21 3.87 4.32 0.31 -4.68 117.00 122.91 2k22 n LEU 10 Ca 0.13 -4.15 -0.13 0.00 -0.02 0.00 0.00 56.01 51.84 2k22 n LEU 10 Cb 0.14 -0.78 -0.07 0.00 -1.62 0.00 0.00 43.42 41.09 2k22 n LEU 10 CO 0.33 1.46 0.43 -0.09 -1.22 0.00 0.00 177.39 178.30 2k22 h ARG 11 N 1.65 -0.54 0.00 3.23 9.65 -0.98 -2.68 114.38 124.71 2k22 h ARG 11 Ca 0.51 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.43 2k22 h ARG 11 Cb 1.52 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.22 2k22 h ARG 11 CO 1.15 -0.24 0.00 -0.35 2.80 0.00 0.00 179.97 183.33 2k22 n PRO 12 N -5.19 0.20 -0.02 0.20 -0.04 -1.26 -0.86 135.00 128.03 2k22 n PRO 12 Ca -0.10 0.15 -0.01 0.00 -0.04 0.00 0.00 63.50 63.50 2k22 n PRO 12 Cb 0.29 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2k22 n PRO 12 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2k22 h ILE 13 N 0.00 0.00 0.00 0.52 1.08 -1.86 -3.39 117.51 113.87 2k22 h ILE 13 Ca 0.00 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 2k22 h ILE 13 Cb 0.15 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.90 2k22 h ILE 13 CO 0.00 0.00 0.00 1.07 -0.69 0.00 0.00 178.15 178.53 2k22 n THR 14 N -3.13 0.55 -3.17 -0.27 5.66 -1.02 -4.92 114.28 107.99 2k22 n THR 14 Ca -0.02 -0.10 -0.14 0.00 -3.05 0.00 0.00 64.05 60.74 2k22 n THR 14 Cb 0.07 -0.71 0.07 0.00 -1.55 0.00 0.00 70.33 68.22 2k22 n THR 14 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k22 n LYS 15 N -2.07 -5.43 -4.51 1.09 5.02 -0.03 -2.72 118.16 109.50 2k22 n LYS 15 Ca 0.05 0.69 -0.41 0.00 -2.02 0.00 0.00 58.31 56.62 2k22 n LYS 15 Cb 0.36 -5.24 -0.08 0.00 -0.02 0.00 0.00 35.03 30.05 2k22 n LYS 15 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k22 n LYS 16 N -3.56 -0.81 -3.71 1.97 2.85 -1.18 -4.89 118.16 108.82 2k22 n LYS 16 Ca -0.23 0.14 -0.29 0.00 -1.05 0.00 0.00 58.31 56.88 2k22 n LYS 16 Cb 0.64 -4.58 -0.15 0.00 -0.65 0.00 0.00 35.03 30.29 2k22 n LYS 16 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2k22 s LYS 17 N -7.26 0.66 -0.02 -1.58 -0.14 -1.10 -5.12 119.74 105.17 2k22 s LYS 17 Ca 0.72 -0.91 0.01 0.00 -1.36 0.00 0.00 55.97 54.43 2k22 s LYS 17 Cb -0.42 -1.92 -0.03 0.00 -1.68 0.00 0.00 37.83 33.78 2k22 s LYS 17 CO 1.02 -0.93 -0.01 -2.00 -0.76 0.00 0.00 175.35 172.67 2k22 s GLU 18 N 1.71 2.79 0.18 1.68 2.12 -1.26 -4.93 118.70 120.98 2k22 s GLU 18 Ca 0.08 -0.58 -0.18 0.00 0.36 0.00 0.00 54.97 54.64 2k22 s GLU 18 Cb -0.17 -2.67 0.04 0.00 0.26 0.00 0.00 34.13 31.59 2k22 s GLU 18 CO -0.24 0.64 0.52 -2.00 -0.54 0.00 0.00 175.26 173.64 2k22 s GLU 19 N -1.38 1.31 0.21 4.30 2.12 -1.26 -5.11 118.70 118.89 2k22 s GLU 19 Ca 0.18 -0.76 0.04 0.00 0.36 0.00 0.00 54.97 54.79 2k22 s GLU 19 Cb -0.11 0.53 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 2k22 s GLU 19 CO 0.08 -0.56 0.31 0.95 -0.54 0.00 0.00 175.26 175.50 2k22 s THR 20 N -3.84 5.17 0.03 -1.70 -4.23 -1.26 -4.30 115.64 105.51 2k22 s THR 20 Ca 0.06 -0.92 0.04 0.00 -1.18 0.00 0.00 61.69 59.69 2k22 s THR 20 Cb -0.01 -3.75 -0.02 0.00 1.34 0.00 0.00 72.50 70.07 2k22 s THR 20 CO -0.06 -0.24 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.30 2k22 s PHE 21 N -1.90 1.07 0.24 3.99 0.08 -0.58 -4.95 117.98 115.94 2k22 s PHE 21 Ca 0.34 -0.33 0.10 0.00 0.12 0.00 0.00 56.93 57.16 2k22 s PHE 21 Cb -0.10 -0.64 -0.05 0.00 -0.57 0.00 0.00 43.02 41.66 2k22 s PHE 21 CO 0.28 0.01 -0.18 0.54 -0.10 0.00 0.00 175.22 175.77 2k22 s ASN 22 N -0.99 3.12 0.00 1.36 2.20 -1.26 -0.12 114.94 119.26 2k22 s ASN 22 Ca 0.01 -1.01 0.00 0.00 -0.94 0.00 0.00 52.86 50.91 2k22 s ASN 22 Cb -0.07 -0.22 0.00 0.00 -2.00 0.00 0.00 41.25 38.95 2k22 s ASN 22 CO 0.01 -0.05 0.00 0.61 -2.94 0.00 0.00 177.10 174.73 2k22 n GLY 23 N -0.46 2.25 3.69 0.45 0.00 -1.26 -5.02 105.19 104.84 2k22 n GLY 23 Ca -0.07 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 2k22 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k22 s ILE 24 N 0.00 4.27 -0.66 -0.61 -1.09 -1.26 -5.04 121.20 116.81 2k22 s ILE 24 Ca 0.00 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 58.02 2k22 s ILE 24 Cb 0.00 -2.86 0.36 0.00 -1.58 0.00 0.00 42.46 38.38 2k22 s ILE 24 CO 0.00 0.48 1.31 -1.54 -1.23 0.00 0.00 174.94 173.95 2k22 n SER 25 N 1.70 5.52 -3.70 3.58 3.41 -1.26 -4.81 113.62 118.07 2k22 n SER 25 Ca -0.16 -3.72 -0.13 0.00 -0.26 0.00 0.00 58.87 54.60 2k22 n SER 25 Cb 0.53 -0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 2k22 n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k22 s LYS 26 N -3.74 0.84 0.33 4.33 1.02 -1.26 -1.96 119.74 119.29 2k22 s LYS 26 Ca 0.47 -0.29 0.12 0.00 0.02 0.00 0.00 55.97 56.29 2k22 s LYS 26 Cb 0.32 0.37 0.55 0.00 -0.52 0.00 0.00 37.83 38.55 2k22 s LYS 26 CO -0.19 -0.27 1.72 0.82 -0.92 0.00 0.00 175.35 176.51 2k22 h ILE 27 N 3.29 1.32 -0.18 2.17 1.08 -1.66 -2.63 117.51 120.90 2k22 h ILE 27 Ca -0.30 -1.69 0.05 0.00 -0.39 0.00 0.00 64.86 62.53 2k22 h ILE 27 Cb 1.19 1.92 -0.06 0.00 -3.07 0.00 0.00 36.82 36.79 2k22 h ILE 27 CO 0.43 0.48 -0.25 -1.28 -0.69 0.00 0.00 178.15 176.83 2k22 h SER 28 N 0.00 -0.79 0.64 1.72 0.87 -1.77 0.20 113.55 114.42 2k22 h SER 28 Ca -0.00 0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.53 2k22 h SER 28 Cb 0.88 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 2k22 h SER 28 CO 0.06 -0.29 -0.73 -0.33 -0.53 0.00 0.00 176.83 175.01 2k22 h GLU 29 N -0.29 0.07 0.16 2.24 4.39 -1.89 -2.80 114.58 116.47 2k22 h GLU 29 Ca 0.12 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2k22 h GLU 29 Cb 0.47 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2k22 h GLU 29 CO -0.35 0.77 -0.08 1.25 -1.16 0.00 0.00 179.01 179.44 2k22 h LEU 30 N 0.05 -0.18 0.09 1.33 6.46 -0.94 0.12 115.31 122.24 2k22 h LEU 30 Ca -0.01 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2k22 h LEU 30 Cb 1.29 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 2k22 h LEU 30 CO 0.10 -0.06 -0.05 -0.07 -0.62 0.00 0.00 178.44 177.74 2k22 h LEU 31 N -0.29 -0.11 -1.01 2.25 3.38 -0.69 0.22 115.31 119.06 2k22 h LEU 31 Ca -0.02 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.90 2k22 h LEU 31 Cb 0.23 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2k22 h LEU 31 CO 0.04 0.07 0.65 -0.33 0.09 0.00 0.00 178.44 178.95 2k22 h GLU 32 N -0.28 1.10 0.01 1.13 4.39 -1.47 0.92 114.58 120.38 2k22 h GLU 32 Ca -0.01 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2k22 h GLU 32 Cb 0.23 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2k22 h GLU 32 CO 0.02 0.73 -0.00 0.00 -1.16 0.00 0.00 179.01 178.59 2k22 h ARG 33 N 1.13 -0.01 -0.80 2.33 2.47 -0.55 -3.19 114.38 115.75 2k22 h ARG 33 Ca 0.45 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 59.25 2k22 h ARG 33 Cb 0.26 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.52 2k22 h ARG 33 CO -0.20 0.54 0.47 -0.07 0.56 0.00 0.00 179.97 181.27 2k22 h LEU 34 N -0.57 0.70 -1.10 3.04 4.07 -0.21 -1.16 115.31 120.08 2k22 h LEU 34 Ca -0.00 0.03 0.17 0.00 0.08 0.00 0.00 57.88 58.16 2k22 h LEU 34 Cb 0.56 -0.11 -0.09 0.00 1.08 0.00 0.00 40.66 42.09 2k22 h LEU 34 CO 0.00 0.43 0.61 0.50 -1.08 0.00 0.00 178.44 178.91 2k22 h LYS 35 N 0.83 0.74 0.00 1.13 3.64 -0.86 0.82 116.57 122.88 2k22 h LYS 35 Ca 0.36 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.52 2k22 h LYS 35 Cb 0.24 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2k22 h LYS 35 CO -0.20 0.49 -0.86 0.28 -2.27 0.00 0.00 179.45 176.89 2k22 h VAL 36 N 0.76 1.59 -0.61 2.00 2.07 -1.24 0.50 116.25 121.32 2k22 h VAL 36 Ca 0.54 -2.86 0.12 0.00 0.82 0.00 0.00 66.70 65.32 2k22 h VAL 36 Cb 0.84 2.56 -0.12 0.00 -1.52 0.00 0.00 31.29 33.05 2k22 h VAL 36 CO -0.31 0.82 -0.24 -0.08 0.02 0.00 0.00 177.57 177.77 2k22 h GLU 37 N 0.02 -0.08 0.00 1.57 4.81 0.06 -3.30 114.58 117.65 2k22 h GLU 37 Ca -0.02 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2k22 h GLU 37 Cb 1.50 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.87 2k22 h GLU 37 CO 0.11 -0.06 -1.63 0.98 -0.73 0.00 0.00 179.01 177.69 2k22 n TYR 38 N -5.44 0.00 0.00 0.92 9.36 -1.19 -5.12 117.16 115.69 2k22 n TYR 38 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 2k22 n TYR 38 Cb 0.35 -0.42 0.00 0.00 -0.63 0.00 0.00 39.34 38.63 2k22 n TYR 38 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k22 n GLY 39 N 2.96 0.46 0.14 2.98 0.00 0.17 -4.76 105.19 107.14 2k22 n GLY 39 Ca -0.19 -1.90 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 2k22 n GLY 39 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2k22 h SER 40 N 0.00 0.17 -0.32 1.61 0.87 -1.96 -3.00 113.55 110.92 2k22 h SER 40 Ca 0.00 -0.11 0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2k22 h SER 40 Cb 0.00 -0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 61.84 2k22 h SER 40 CO 0.00 0.82 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.68 2k22 h GLU 41 N 0.10 -0.05 0.14 2.24 4.39 -1.92 0.32 114.58 119.80 2k22 h GLU 41 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2k22 h GLU 41 Cb 1.26 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2k22 h GLU 41 CO 0.10 -0.03 -0.07 0.35 -1.16 0.00 0.00 179.01 178.20 2k22 h PHE 42 N -0.05 -0.17 -0.95 4.33 3.57 -1.88 -0.41 116.94 121.38 2k22 h PHE 42 Ca 0.16 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.82 2k22 h PHE 42 Cb 0.30 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.00 2k22 h PHE 42 CO -0.33 0.20 0.55 1.15 -2.23 0.00 0.00 178.31 177.65 2k22 h THR 43 N -0.57 0.74 -0.03 4.41 2.02 -1.35 0.33 112.91 118.47 2k22 h THR 43 Ca -0.02 -0.26 -0.18 0.00 0.77 0.00 0.00 66.41 66.72 2k22 h THR 43 Cb 0.44 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2k22 h THR 43 CO 0.03 0.14 -0.79 0.11 0.37 0.00 0.00 175.52 175.38 2k22 h LYS 44 N 0.75 0.25 -0.25 6.66 1.79 -0.32 0.27 116.57 125.72 2k22 h LYS 44 Ca 0.53 -0.23 -0.16 0.00 -2.18 0.00 0.00 60.65 58.61 2k22 h LYS 44 Cb 0.76 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 2k22 h LYS 44 CO -0.36 0.91 -0.47 0.37 -1.08 0.00 0.00 179.45 178.82 2k22 h GLN 45 N 0.16 0.68 -0.39 3.15 5.75 0.83 -2.38 115.11 122.90 2k22 h GLN 45 Ca -0.03 -0.39 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 2k22 h GLN 45 Cb 1.38 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.95 2k22 h GLN 45 CO 0.12 1.00 0.00 0.00 -2.65 0.00 0.00 178.83 177.31 2k22 n MET 46 N -4.00 2.47 -2.71 1.69 0.00 0.93 -4.51 117.12 110.98 2k22 n MET 46 Ca -0.03 -2.27 0.01 0.00 0.00 0.00 0.00 57.70 55.42 2k22 n MET 46 Cb 0.57 -1.49 0.01 0.00 0.00 0.00 0.00 33.22 32.31 2k22 n MET 46 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 2k22 s TYR 47 N -1.41 -0.21 -1.01 3.17 5.04 0.96 -4.68 117.35 119.21 2k22 s TYR 47 Ca 0.38 0.01 -0.22 0.00 -2.44 0.00 0.00 57.07 54.80 2k22 s TYR 47 Cb 0.22 0.04 0.06 0.00 0.35 0.00 0.00 41.96 42.63 2k22 s TYR 47 CO 0.30 -0.14 1.42 0.34 -1.34 0.00 0.00 175.55 176.13 2k22 s ASP 48 N 1.82 6.52 0.00 4.32 2.15 0.89 -3.68 116.67 128.69 2k22 s ASP 48 Ca 0.16 -1.54 0.00 0.00 0.43 0.00 0.00 52.55 51.60 2k22 s ASP 48 Cb 0.06 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2k22 s ASP 48 CO -0.15 -1.45 0.00 0.61 -0.17 0.00 0.00 175.17 174.01 2k22 n GLY 49 N 6.69 1.83 0.00 2.66 0.00 -1.26 -3.22 105.19 111.89 2k22 n GLY 49 Ca 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2k22 n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k22 n ASN 50 N 5.28 0.35 -3.73 1.61 3.02 -1.26 -5.07 115.26 115.46 2k22 n ASN 50 Ca 0.00 -0.67 -0.10 0.00 -0.03 0.00 0.00 54.58 53.79 2k22 n ASN 50 Cb 0.00 0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 39.72 2k22 n ASN 50 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2k22 s ASN 51 N -0.59 -0.21 0.87 6.41 2.20 -1.20 -5.11 114.94 117.31 2k22 s ASN 51 Ca 0.00 -0.48 -0.14 0.00 -0.94 0.00 0.00 52.86 51.30 2k22 s ASN 51 Cb 0.00 0.52 -0.02 0.00 -2.00 0.00 0.00 41.25 39.76 2k22 s ASN 51 CO 0.00 -0.96 0.27 0.18 -2.94 0.00 0.00 177.10 173.65 2k22 n LEU 52 N -0.28 -0.72 0.00 3.54 7.99 -1.26 -0.08 117.00 126.19 2k22 n LEU 52 Ca -0.12 0.40 -0.01 0.00 -0.01 0.00 0.00 56.01 56.28 2k22 n LEU 52 Cb 0.63 -1.14 -0.00 0.00 -0.11 0.00 0.00 43.42 42.79 2k22 n LEU 52 CO 0.18 -3.81 0.05 0.15 -1.51 0.00 0.00 177.39 172.45 2k22 h PHE 53 N -1.07 -0.06 0.00 -1.77 3.57 -1.79 -3.41 116.94 112.41 2k22 h PHE 53 Ca -0.44 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 60.99 2k22 h PHE 53 Cb 1.31 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2k22 h PHE 53 CO 0.35 -0.04 -0.61 -0.22 -2.23 0.00 0.00 178.31 175.56 2k22 h LYS 54 N -0.52 0.00 0.00 1.11 3.64 -1.93 -3.49 116.57 115.39 2k22 h LYS 54 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2k22 h LYS 54 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2k22 h LYS 54 CO 0.01 0.40 0.00 0.09 -2.27 0.00 0.00 179.45 177.68 2k22 n ASN 55 N -4.59 0.00 -4.77 4.20 3.02 -1.26 -5.01 115.26 106.85 2k22 n ASN 55 Ca -0.14 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 2k22 n ASN 55 Cb 0.37 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 2k22 n ASN 55 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k22 s VAL 56 N 0.00 2.69 -0.28 2.41 1.01 -1.26 -3.70 120.40 121.28 2k22 s VAL 56 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.70 2k22 s VAL 56 Cb 0.00 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 33.01 2k22 s VAL 56 CO 0.00 0.16 -0.07 -0.63 0.00 0.00 0.00 175.10 174.56 2k22 s ILE 57 N -1.15 2.24 -0.05 2.22 1.01 0.16 -4.89 121.20 120.74 2k22 s ILE 57 Ca 0.50 -1.77 0.06 0.00 0.00 0.00 0.00 60.65 59.43 2k22 s ILE 57 Cb -0.40 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 2k22 s ILE 57 CO 0.53 -0.15 -0.23 -0.51 0.00 0.00 0.00 174.94 174.58 2k22 s ILE 58 N 1.07 1.87 0.27 2.92 2.07 -1.26 0.28 121.20 128.43 2k22 s ILE 58 Ca -0.05 -0.97 0.09 0.00 -1.41 0.00 0.00 60.65 58.31 2k22 s ILE 58 Cb -0.20 -1.59 -0.05 0.00 0.13 0.00 0.00 42.46 40.75 2k22 s ILE 58 CO -0.05 0.52 -0.12 -0.76 -1.91 0.00 0.00 174.94 172.62 2k22 s LEU 59 N -0.10 2.57 -0.05 8.50 2.01 -0.06 -4.92 118.68 126.64 2k22 s LEU 59 Ca -0.04 -1.11 0.02 0.00 0.01 0.00 0.00 54.13 53.01 2k22 s LEU 59 Cb -0.13 -0.82 0.01 0.00 0.01 0.00 0.00 46.19 45.26 2k22 s LEU 59 CO 0.03 -0.18 -0.09 0.54 1.01 0.00 0.00 176.35 177.66 2k22 s VAL 60 N -2.81 0.86 -0.96 -1.59 0.11 -0.95 -1.17 120.40 113.89 2k22 s VAL 60 Ca 0.28 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2k22 s VAL 60 Cb 0.00 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 2k22 s VAL 60 CO 0.12 0.29 0.00 -3.20 -3.33 0.00 0.00 175.10 168.98 2k22 n ASN 61 N 3.69 -3.62 -2.28 3.54 5.15 0.85 -0.65 115.26 121.94 2k22 n ASN 61 Ca -0.22 0.23 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 2k22 n ASN 61 Cb 0.52 -3.10 0.05 0.00 -0.53 0.00 0.00 39.78 36.72 2k22 n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k22 n GLY 62 N -0.76 0.08 3.64 8.20 0.00 -1.26 -4.93 105.19 110.16 2k22 n GLY 62 Ca -0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 2k22 n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k22 s ASN 63 N -3.34 -0.11 0.47 1.61 3.84 0.17 -5.16 114.94 112.42 2k22 s ASN 63 Ca 0.24 0.20 -0.22 0.00 0.21 0.00 0.00 52.86 53.29 2k22 s ASN 63 Cb -0.11 0.20 -0.07 0.00 -0.55 0.00 0.00 41.25 40.72 2k22 s ASN 63 CO 0.41 -0.04 1.12 0.54 -2.79 0.00 0.00 177.10 176.33 2k22 s ASN 64 N -0.10 6.20 0.33 -4.21 2.20 -1.26 -2.25 114.94 115.84 2k22 s ASN 64 Ca 0.07 2.17 0.17 0.00 -0.94 0.00 0.00 52.86 54.33 2k22 s ASN 64 Cb -0.04 -2.59 0.41 0.00 -2.00 0.00 0.00 41.25 37.03 2k22 s ASN 64 CO -0.13 -0.89 1.60 0.16 -2.94 0.00 0.00 177.10 174.90 2k22 h ILE 65 N 1.73 0.93 0.00 0.54 3.07 -1.87 -3.09 117.51 118.82 2k22 h ILE 65 Ca -0.49 -1.89 -0.03 0.00 1.55 0.00 0.00 64.86 64.00 2k22 h ILE 65 Cb 1.24 2.16 -0.00 0.00 -0.27 0.00 0.00 36.82 39.95 2k22 h ILE 65 CO 0.60 0.45 -0.14 0.71 -1.05 0.00 0.00 178.15 178.72 2k22 h THR 66 N 0.00 0.81 -0.78 0.16 1.35 -1.85 -1.36 112.91 111.24 2k22 h THR 66 Ca -0.00 -0.52 0.16 0.00 -0.55 0.00 0.00 66.41 65.49 2k22 h THR 66 Cb 1.12 1.31 -0.10 0.00 -1.73 0.00 0.00 68.15 68.75 2k22 h THR 66 CO 0.06 0.13 0.30 -1.28 -0.25 0.00 0.00 175.52 174.48 2k22 h SER 67 N 0.00 0.25 0.00 5.36 0.87 -1.94 -3.40 113.55 114.69 2k22 h SER 67 Ca -0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2k22 h SER 67 Cb 0.29 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2k22 h SER 67 CO 0.02 0.07 0.00 1.15 -0.53 0.00 0.00 176.83 177.53 2k22 n MET 68 N -5.03 0.00 -4.32 2.24 -0.00 -1.06 -5.07 117.12 103.88 2k22 n MET 68 Ca 0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 57.70 57.56 2k22 n MET 68 Cb 0.46 -0.00 -0.17 0.00 -0.00 0.00 0.00 33.22 33.52 2k22 n MET 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2k22 s LYS 69 N -0.41 2.37 0.00 3.17 1.02 -0.54 -5.06 119.74 120.29 2k22 s LYS 69 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.39 2k22 s LYS 69 Cb 0.00 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2k22 s LYS 69 CO 0.00 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 2k22 n GLY 70 N 4.39 -1.95 0.12 -3.33 0.00 -1.11 -2.51 105.19 100.81 2k22 n GLY 70 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 2k22 n GLY 70 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k22 n LEU 71 N 0.00 0.79 -0.36 0.99 7.94 -1.26 -2.67 117.00 122.43 2k22 n LEU 71 Ca 0.00 0.62 0.05 0.00 -1.11 0.00 0.00 56.01 55.57 2k22 n LEU 71 Cb 0.00 -0.42 0.19 0.00 0.53 0.00 0.00 43.42 43.72 2k22 n LEU 71 CO 0.00 -0.34 0.64 0.47 -1.11 0.00 0.00 177.39 177.05 2k22 n ASP 72 N -2.29 1.06 -4.77 1.96 9.92 -1.26 -2.54 116.55 118.64 2k22 n ASP 72 Ca 0.04 -1.88 -0.40 0.00 -0.53 0.00 0.00 54.79 52.02 2k22 n ASP 72 Cb 0.35 -0.12 0.01 0.00 -0.64 0.00 0.00 41.12 40.73 2k22 n ASP 72 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2k22 s THR 73 N -1.77 2.14 -0.16 -3.53 2.01 -1.04 -4.86 115.64 108.43 2k22 s THR 73 Ca 0.18 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.24 2k22 s THR 73 Cb 0.09 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2k22 s THR 73 CO 0.14 0.02 0.08 -1.61 -0.69 0.00 0.00 174.62 172.56 2k22 s GLU 74 N -2.31 3.75 -0.17 4.92 2.02 -1.26 -2.65 118.70 123.00 2k22 s GLU 74 Ca 0.58 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.29 2k22 s GLU 74 Cb -0.44 -3.18 0.04 0.00 0.10 0.00 0.00 34.13 30.64 2k22 s GLU 74 CO 0.57 0.46 -0.08 0.96 0.02 0.00 0.00 175.26 177.19 2k22 s ILE 75 N -0.14 1.31 0.79 -1.63 -4.36 -0.83 -4.97 121.20 111.38 2k22 s ILE 75 Ca 0.08 -0.69 -0.09 0.00 -0.26 0.00 0.00 60.65 59.69 2k22 s ILE 75 Cb -0.12 -1.40 0.11 0.00 1.25 0.00 0.00 42.46 42.30 2k22 s ILE 75 CO 0.01 0.22 1.11 -0.54 0.24 0.00 0.00 174.94 175.98 2k22 s LYS 76 N 1.56 1.67 0.55 0.37 1.02 -1.26 -4.33 119.74 119.31 2k22 s LYS 76 Ca 0.01 -0.38 0.24 0.00 0.02 0.00 0.00 55.97 55.86 2k22 s LYS 76 Cb -0.15 -2.08 1.45 0.00 -0.52 0.00 0.00 37.83 36.53 2k22 s LYS 76 CO -0.08 -1.63 2.08 0.38 -0.92 0.00 0.00 175.35 175.18 2k22 h ASP 77 N -0.92 0.00 0.49 2.83 2.03 -1.99 -0.89 116.42 117.96 2k22 h ASP 77 Ca -0.43 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 55.59 2k22 h ASP 77 Cb 1.29 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.80 2k22 h ASP 77 CO 0.52 0.00 -1.23 -0.78 -1.03 0.00 0.00 179.24 176.72 2k22 h ASP 78 N 0.00 0.54 -3.29 4.15 3.58 -1.93 -3.40 116.42 116.08 2k22 h ASP 78 Ca 0.12 -0.55 -0.56 0.00 0.42 0.00 0.00 57.03 56.46 2k22 h ASP 78 Cb 0.51 -0.17 0.19 0.00 1.72 0.00 0.00 39.33 41.57 2k22 h ASP 78 CO -0.00 1.41 -0.38 0.47 -2.88 0.00 0.00 179.24 177.86 2k22 n ASP 79 N -3.62 -1.17 -3.77 2.28 9.92 -0.34 -5.01 116.55 114.84 2k22 n ASP 79 Ca -0.10 0.56 -0.13 0.00 -0.53 0.00 0.00 54.79 54.60 2k22 n ASP 79 Cb 1.00 -1.23 -0.11 0.00 -0.64 0.00 0.00 41.12 40.14 2k22 n ASP 79 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2k22 s LYS 80 N -2.93 0.32 -0.16 -1.24 -2.85 -1.26 -4.43 119.74 107.19 2k22 s LYS 80 Ca 0.65 0.43 -0.06 0.00 -1.00 0.00 0.00 55.97 55.99 2k22 s LYS 80 Cb -0.33 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.53 2k22 s LYS 80 CO 0.59 -0.06 0.06 0.42 0.10 0.00 0.00 175.35 176.46 2k22 s ILE 81 N 0.32 4.77 -0.04 3.79 1.09 0.83 -0.11 121.20 131.85 2k22 s ILE 81 Ca -0.01 -0.05 0.02 0.00 -1.10 0.00 0.00 60.65 59.51 2k22 s ILE 81 Cb -0.03 -3.12 0.01 0.00 -1.06 0.00 0.00 42.46 38.26 2k22 s ILE 81 CO -0.01 0.50 -0.10 -0.62 -0.10 0.00 0.00 174.94 174.61 2k22 s ASP 82 N 0.01 1.47 -0.07 3.58 2.15 -0.32 -3.33 116.67 120.17 2k22 s ASP 82 Ca 0.06 -0.24 0.01 0.00 0.43 0.00 0.00 52.55 52.81 2k22 s ASP 82 Cb -0.12 -0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 41.93 2k22 s ASP 82 CO 0.01 0.05 -0.07 -0.22 -0.17 0.00 0.00 175.17 174.77 2k22 s LEU 83 N 0.43 3.18 0.06 -1.34 0.20 -1.25 -0.88 118.68 119.07 2k22 s LEU 83 Ca -0.08 -0.02 0.06 0.00 0.69 0.00 0.00 54.13 54.77 2k22 s LEU 83 Cb -0.12 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.92 2k22 s LEU 83 CO 0.02 0.36 -0.16 -0.36 -0.29 0.00 0.00 176.35 175.92 2k22 s PHE 84 N -0.82 1.38 0.86 5.38 0.08 0.14 -4.46 117.98 120.55 2k22 s PHE 84 Ca 0.13 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.67 2k22 s PHE 84 Cb -0.11 -0.80 0.11 0.00 -0.57 0.00 0.00 43.02 41.65 2k22 s PHE 84 CO 0.02 0.07 1.09 -1.25 -0.10 0.00 0.00 175.22 175.05 2k22 s PRO 85 N -1.43 1.51 0.50 0.24 0.04 -1.26 -0.66 135.00 133.94 2k22 s PRO 85 Ca 0.02 0.91 -0.21 0.00 0.04 0.00 0.00 61.00 61.75 2k22 s PRO 85 Cb -0.09 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 2k22 s PRO 85 CO 0.02 -2.09 1.15 -1.25 0.04 0.00 0.00 177.00 174.87 2k22 s PRO 86 N -4.93 3.58 0.45 0.56 0.04 -1.24 -4.41 135.00 129.04 2k22 s PRO 86 Ca 0.63 1.69 0.19 0.00 0.04 0.00 0.00 61.00 63.55 2k22 s PRO 86 Cb -0.18 -2.22 1.14 0.00 0.04 0.00 0.00 34.50 33.28 2k22 s PRO 86 CO 0.57 -0.68 1.92 -0.39 0.04 0.00 0.00 177.00 178.45 2k22 h VAL 87 N 1.56 0.75 -0.98 -0.36 -1.51 -1.95 0.13 116.25 113.89 2k22 h VAL 87 Ca -0.50 -0.11 -0.56 0.00 -1.23 0.00 0.00 66.70 64.30 2k22 h VAL 87 Cb 1.25 0.39 -0.30 0.00 -2.13 0.00 0.00 31.29 30.51 2k22 h VAL 87 CO 0.59 0.06 0.72 0.00 -1.23 0.00 0.00 177.57 177.71 2k22 n ALA 88 N -2.55 5.80 -1.00 5.19 0.00 -1.26 -4.73 120.51 121.96 2k22 n ALA 88 Ca 0.15 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.56 2k22 n ALA 88 Cb 0.60 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2k22 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k22 n GLY 89 N -1.02 1.24 0.00 0.00 0.00 0.44 -5.11 105.19 100.74 2k22 n GLY 89 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93