#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 1.47 -0.09 1.12 -7.23 0.88 -3.70 120.40 112.86 2k22 s VAL 2 Ca 0.00 -0.72 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 2k22 s VAL 2 Cb 0.00 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.65 2k22 s VAL 2 CO 0.00 0.42 -0.20 -0.89 -0.31 0.00 0.00 175.10 174.13 2k22 s THR 3 N 0.16 2.50 0.02 5.32 2.01 -1.26 -1.47 115.64 122.91 2k22 s THR 3 Ca -0.07 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.11 2k22 s THR 3 Cb -0.13 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 2k22 s THR 3 CO 0.03 0.56 -0.21 0.68 -0.69 0.00 0.00 174.62 174.99 2k22 s VAL 4 N 0.04 1.65 0.22 3.82 -7.23 -1.25 -0.47 120.40 117.18 2k22 s VAL 4 Ca -0.08 -1.05 0.09 0.00 -1.81 0.00 0.00 61.98 59.13 2k22 s VAL 4 Cb -0.15 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 2k22 s VAL 4 CO 0.05 0.32 -0.01 -0.13 -0.31 0.00 0.00 175.10 175.02 2k22 s ARG 5 N -0.86 2.31 -0.00 4.82 0.52 -1.09 -4.56 118.95 120.08 2k22 s ARG 5 Ca 0.08 -1.28 -0.01 0.00 -0.52 0.00 0.00 55.73 54.00 2k22 s ARG 5 Cb -0.08 -2.24 -0.00 0.00 0.52 0.00 0.00 34.95 33.15 2k22 s ARG 5 CO 0.01 0.41 0.02 0.71 0.02 0.00 0.00 175.30 176.46 2k22 s TYR 6 N -2.02 0.03 0.37 -0.53 2.02 -1.26 -3.64 117.35 112.32 2k22 s TYR 6 Ca 0.29 -0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.99 2k22 s TYR 6 Cb -0.08 -0.03 0.05 0.00 -0.40 0.00 0.00 41.96 41.50 2k22 s TYR 6 CO 0.19 -0.05 0.39 0.66 -1.57 0.00 0.00 175.55 175.16 2k22 n TYR 7 N 2.75 -1.65 0.11 2.71 4.02 -1.26 -4.87 117.16 118.96 2k22 n TYR 7 Ca -0.15 -1.47 0.20 0.00 -0.01 0.00 0.00 57.90 56.47 2k22 n TYR 7 Cb 0.59 -0.33 0.76 0.00 -0.02 0.00 0.00 39.34 40.34 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 0.49 2.09 -0.23 -0.72 0.00 -1.98 0.35 119.26 119.25 2k22 h ALA 8 Ca -0.21 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 2k22 h ALA 8 Cb 0.83 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k22 h ALA 8 CO 0.31 -0.58 -0.54 1.79 0.00 0.00 0.00 179.25 180.23 2k22 h THR 9 N 0.00 1.30 -0.44 0.00 1.35 -2.01 -3.09 112.91 110.02 2k22 h THR 9 Ca 0.18 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 2k22 h THR 9 Cb 0.96 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2k22 h THR 9 CO -0.00 0.56 0.00 0.18 -0.25 0.00 0.00 175.52 176.01 2k22 n LEU 10 N -3.98 3.53 0.35 3.87 7.99 0.30 -4.55 117.00 124.52 2k22 n LEU 10 Ca -0.04 -1.59 -0.19 0.00 -0.01 0.00 0.00 56.01 54.19 2k22 n LEU 10 Cb 0.61 -0.29 -0.10 0.00 -0.11 0.00 0.00 43.42 43.54 2k22 n LEU 10 CO 0.48 0.78 0.53 0.03 -1.51 0.00 0.00 177.39 177.71 2k22 h ARG 11 N 4.37 -1.05 0.00 3.23 3.08 -0.34 0.29 114.38 123.95 2k22 h ARG 11 Ca 0.00 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2k22 h ARG 11 Cb 0.98 0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2k22 h ARG 11 CO 0.00 -0.70 0.00 -0.35 -1.07 0.00 0.00 179.97 177.85 2k22 n PRO 12 N -5.52 0.11 0.00 0.04 -0.04 -1.26 -0.10 135.00 128.23 2k22 n PRO 12 Ca -0.13 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2k22 n PRO 12 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 2k22 n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2k22 n ILE 13 N -1.38 0.18 -0.07 0.52 5.41 -0.77 -4.34 119.36 118.90 2k22 n ILE 13 Ca 0.05 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.27 2k22 n ILE 13 Cb 0.14 -0.08 0.00 0.00 -0.71 0.00 0.00 39.64 38.98 2k22 n ILE 13 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k22 n THR 14 N -2.36 0.83 -3.69 1.39 5.66 0.94 -4.80 114.28 112.26 2k22 n THR 14 Ca -0.05 -0.88 -0.25 0.00 -3.05 0.00 0.00 64.05 59.82 2k22 n THR 14 Cb 0.60 0.59 0.06 0.00 -1.55 0.00 0.00 70.33 70.03 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 -0.42 -6.92 -4.06 1.09 5.02 0.86 -2.21 118.16 111.52 2k22 n LYS 15 Ca 0.00 0.75 -0.32 0.00 -2.02 0.00 0.00 58.31 56.71 2k22 n LYS 15 Cb 0.24 -5.72 -0.07 0.00 -0.02 0.00 0.00 35.03 29.46 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 -4.78 -0.83 -3.80 1.97 0.00 0.08 -4.89 118.16 105.91 2k22 n LYS 16 Ca -0.03 0.10 -0.24 0.00 -0.00 0.00 0.00 58.31 58.14 2k22 n LYS 16 Cb 0.57 -3.61 -0.17 0.00 -0.00 0.00 0.00 35.03 31.81 2k22 n LYS 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2k22 s LYS 17 N -6.44 0.82 -0.01 -1.58 2.20 -0.94 -5.14 119.74 108.65 2k22 s LYS 17 Ca 0.43 -0.03 0.04 0.00 -0.36 0.00 0.00 55.97 56.05 2k22 s LYS 17 Cb -0.25 -1.22 -0.03 0.00 -1.51 0.00 0.00 37.83 34.81 2k22 s LYS 17 CO 0.86 -0.33 -0.09 -2.00 -0.36 0.00 0.00 175.35 173.43 2k22 s GLU 18 N 1.90 2.50 0.17 4.03 -6.30 -1.26 -4.95 118.70 114.79 2k22 s GLU 18 Ca 0.04 -0.73 -0.19 0.00 -2.50 0.00 0.00 54.97 51.60 2k22 s GLU 18 Cb -0.13 -2.45 0.04 0.00 0.00 0.00 0.00 34.13 31.59 2k22 s GLU 18 CO -0.06 0.60 0.52 -2.00 0.02 0.00 0.00 175.26 174.34 2k22 s GLU 19 N -1.24 1.29 0.19 4.30 2.12 -1.26 -5.11 118.70 118.99 2k22 s GLU 19 Ca 0.15 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.79 2k22 s GLU 19 Cb -0.11 0.53 -0.04 0.00 0.26 0.00 0.00 34.13 34.77 2k22 s GLU 19 CO 0.05 -0.55 0.23 0.95 -0.54 0.00 0.00 175.26 175.41 2k22 s THR 20 N -3.83 4.88 0.02 -1.70 -4.23 -1.26 -4.25 115.64 105.27 2k22 s THR 20 Ca 0.06 -0.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 2k22 s THR 20 Cb -0.00 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.27 2k22 s THR 20 CO -0.07 -0.18 -0.14 0.12 -0.54 0.00 0.00 174.62 173.81 2k22 s PHE 21 N -1.85 1.24 0.16 3.99 5.36 -0.54 -4.94 117.98 121.40 2k22 s PHE 21 Ca 0.33 -0.30 0.07 0.00 -0.96 0.00 0.00 56.93 56.07 2k22 s PHE 21 Cb -0.10 -0.76 -0.04 0.00 -0.34 0.00 0.00 43.02 41.78 2k22 s PHE 21 CO 0.26 0.01 -0.15 0.54 -1.46 0.00 0.00 175.22 174.42 2k22 s ASN 22 N -0.78 2.36 0.00 6.13 4.22 -1.26 -0.08 114.94 125.52 2k22 s ASN 22 Ca 0.03 -0.90 0.00 0.00 -2.14 0.00 0.00 52.86 49.85 2k22 s ASN 22 Cb -0.07 -0.11 0.00 0.00 1.28 0.00 0.00 41.25 42.35 2k22 s ASN 22 CO 0.00 -0.13 0.00 0.61 -2.04 0.00 0.00 177.10 175.54 2k22 n GLY 23 N 0.14 2.76 3.76 0.45 0.00 -1.26 -5.02 105.19 106.02 2k22 n GLY 23 Ca -0.12 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 2k22 n GLY 23 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k22 s ILE 24 N 0.00 4.45 -0.59 -0.61 2.07 -1.26 -5.04 121.20 120.22 2k22 s ILE 24 Ca 0.00 -0.75 0.03 0.00 -1.41 0.00 0.00 60.65 58.52 2k22 s ILE 24 Cb 0.00 -3.12 0.39 0.00 0.13 0.00 0.00 42.46 39.86 2k22 s ILE 24 CO 0.00 0.16 1.37 -1.54 -1.91 0.00 0.00 174.94 173.03 2k22 n SER 25 N 0.61 5.56 -3.69 4.50 3.41 -1.26 -4.75 113.62 118.00 2k22 n SER 25 Ca -0.10 -3.75 -0.13 0.00 -0.26 0.00 0.00 58.87 54.63 2k22 n SER 25 Cb 0.52 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.73 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 -3.71 0.86 0.41 4.33 1.02 -1.26 -1.45 119.74 119.93 2k22 s LYS 26 Ca 0.49 -0.29 0.22 0.00 0.02 0.00 0.00 55.97 56.41 2k22 s LYS 26 Cb 0.39 0.38 0.55 0.00 -0.52 0.00 0.00 37.83 38.64 2k22 s LYS 26 CO -0.24 -0.28 1.67 0.82 -0.92 0.00 0.00 175.35 176.40 2k22 h ILE 27 N 3.23 0.42 -0.19 2.17 1.08 -1.38 -3.16 117.51 119.69 2k22 h ILE 27 Ca -0.31 -1.34 0.05 0.00 -0.39 0.00 0.00 64.86 62.88 2k22 h ILE 27 Cb 1.19 2.00 -0.06 0.00 -3.07 0.00 0.00 36.82 36.88 2k22 h ILE 27 CO 0.43 0.21 -0.26 -1.28 -0.69 0.00 0.00 178.15 176.56 2k22 h SER 28 N 0.00 -0.81 0.74 1.72 0.87 -0.81 0.25 113.55 115.51 2k22 h SER 28 Ca -0.00 0.14 -0.15 0.00 -1.23 0.00 0.00 61.79 60.54 2k22 h SER 28 Cb 0.98 0.37 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 2k22 h SER 28 CO 0.03 -0.30 -0.73 -0.08 -0.53 0.00 0.00 176.83 175.22 2k22 h GLU 29 N -0.30 0.00 0.18 2.24 4.81 -1.86 -2.24 114.58 117.41 2k22 h GLU 29 Ca 0.12 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2k22 h GLU 29 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2k22 h GLU 29 CO -0.36 0.73 -0.08 1.25 -0.73 0.00 0.00 179.01 179.82 2k22 h LEU 30 N 0.00 -0.20 -0.40 1.64 6.46 -1.28 0.26 115.31 121.78 2k22 h LEU 30 Ca -0.01 -0.11 -0.13 0.00 -0.12 0.00 0.00 57.88 57.52 2k22 h LEU 30 Cb 1.29 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.27 2k22 h LEU 30 CO 0.09 -0.02 -0.24 -0.07 -0.62 0.00 0.00 178.44 177.59 2k22 h LEU 31 N -0.38 0.91 -1.03 2.25 3.38 -0.60 0.82 115.31 120.67 2k22 h LEU 31 Ca -0.02 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 2k22 h LEU 31 Cb 0.30 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2k22 h LEU 31 CO 0.04 1.13 0.04 -0.08 0.09 0.00 0.00 178.44 179.67 2k22 h GLU 32 N 0.69 0.74 0.01 1.13 4.81 -1.35 0.28 114.58 120.89 2k22 h GLU 32 Ca 0.08 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 2k22 h GLU 32 Cb 0.81 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.09 2k22 h GLU 32 CO 0.07 0.72 -0.27 -0.09 -0.73 0.00 0.00 179.01 178.71 2k22 h ARG 33 N 0.70 0.16 -0.43 1.92 9.65 -0.36 -3.18 114.38 122.84 2k22 h ARG 33 Ca 0.15 -0.19 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 2k22 h ARG 33 Cb 0.37 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 2k22 h ARG 33 CO 0.01 0.97 -0.01 -0.07 2.80 0.00 0.00 179.97 183.67 2k22 h LEU 34 N -0.56 0.67 -0.18 3.80 -0.00 -0.77 0.10 115.31 118.38 2k22 h LEU 34 Ca -0.04 -0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.72 2k22 h LEU 34 Cb 1.07 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 41.52 2k22 h LEU 34 CO 0.05 0.75 -0.04 0.50 -0.00 0.00 0.00 178.44 179.71 2k22 h LYS 35 N 0.66 0.01 0.01 1.13 3.64 -0.53 -2.37 116.57 119.12 2k22 h LYS 35 Ca 0.13 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.29 2k22 h LYS 35 Cb 0.43 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2k22 h LYS 35 CO 0.02 0.01 -0.95 -0.24 -2.27 0.00 0.00 179.45 176.01 2k22 h VAL 36 N 0.01 1.43 -0.49 2.00 3.04 -1.50 0.37 116.25 121.11 2k22 h VAL 36 Ca 0.08 -2.53 0.10 0.00 -1.01 0.00 0.00 66.70 63.35 2k22 h VAL 36 Cb 0.13 2.47 -0.10 0.00 -2.01 0.00 0.00 31.29 31.78 2k22 h VAL 36 CO -0.18 0.75 -0.17 -0.08 -1.01 0.00 0.00 177.57 176.88 2k22 h GLU 37 N 0.19 -0.06 0.05 4.17 4.57 -0.47 -3.07 114.58 119.97 2k22 h GLU 37 Ca -0.08 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.74 2k22 h GLU 37 Cb 1.59 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 30.15 2k22 h GLU 37 CO 0.16 -0.04 -2.19 0.66 -1.18 0.00 0.00 179.01 176.42 2k22 n TYR 38 N -5.39 0.63 0.00 0.92 4.01 -0.92 -5.08 117.16 111.32 2k22 n TYR 38 Ca 0.04 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 2k22 n TYR 38 Cb 0.29 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.24 2k22 n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k22 n GLY 39 N 2.03 0.76 0.18 2.72 0.00 0.13 -4.81 105.19 106.20 2k22 n GLY 39 Ca -0.36 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.43 2k22 n GLY 39 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k22 h SER 40 N 0.00 0.21 -1.00 1.61 4.64 -1.91 -3.06 113.55 114.03 2k22 h SER 40 Ca 0.00 -0.10 0.18 0.00 -0.47 0.00 0.00 61.79 61.40 2k22 h SER 40 Cb 0.00 -0.06 -0.11 0.00 -0.31 0.00 0.00 62.40 61.93 2k22 h SER 40 CO 0.00 0.68 0.61 -0.33 -0.87 0.00 0.00 176.83 176.91 2k22 h GLU 41 N 0.15 0.76 0.18 4.77 5.08 -1.90 0.25 114.58 123.87 2k22 h GLU 41 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2k22 h GLU 41 Cb 0.94 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2k22 h GLU 41 CO 0.07 0.50 -0.09 0.35 -1.00 0.00 0.00 179.01 178.85 2k22 h PHE 42 N 0.78 -0.22 -1.00 4.33 3.04 -1.85 0.25 116.94 122.26 2k22 h PHE 42 Ca 0.57 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.59 2k22 h PHE 42 Cb 0.86 0.07 -0.07 0.00 2.56 0.00 0.00 35.95 39.37 2k22 h PHE 42 CO -0.01 0.17 0.65 1.15 -2.02 0.00 0.00 178.31 178.25 2k22 h THR 43 N -0.69 1.06 -0.06 4.41 2.02 -1.40 0.17 112.91 118.42 2k22 h THR 43 Ca -0.02 -0.39 -0.22 0.00 0.77 0.00 0.00 66.41 66.54 2k22 h THR 43 Cb 0.49 -0.19 0.02 0.00 -1.74 0.00 0.00 68.15 66.73 2k22 h THR 43 CO 0.04 0.21 -0.84 0.11 0.37 0.00 0.00 175.52 175.41 2k22 h LYS 44 N 1.14 0.67 -0.71 6.66 1.57 -0.53 0.27 116.57 125.66 2k22 h LYS 44 Ca 0.45 -0.64 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2k22 h LYS 44 Cb 0.23 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2k22 h LYS 44 CO -0.19 1.24 0.41 0.37 -0.57 0.00 0.00 179.45 180.71 2k22 h GLN 45 N 0.34 0.96 -0.35 3.15 5.75 0.10 -0.50 115.11 124.56 2k22 h GLN 45 Ca -0.09 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 2k22 h GLN 45 Cb 1.49 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2k22 h GLN 45 CO 0.17 0.69 0.00 0.00 -2.65 0.00 0.00 178.83 177.04 2k22 n MET 46 N -4.38 2.35 -2.70 1.69 0.00 -0.01 -4.55 117.12 109.52 2k22 n MET 46 Ca 0.07 -2.16 -0.01 0.00 0.00 0.00 0.00 57.70 55.60 2k22 n MET 46 Cb 0.08 -1.46 0.02 0.00 0.00 0.00 0.00 33.22 31.87 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 -1.38 -0.32 -0.57 3.17 5.04 0.96 -4.67 117.35 119.59 2k22 s TYR 47 Ca 0.34 -0.05 -0.18 0.00 -2.44 0.00 0.00 57.07 54.74 2k22 s TYR 47 Cb 0.20 0.06 0.11 0.00 0.35 0.00 0.00 41.96 42.69 2k22 s TYR 47 CO 0.28 -0.24 0.62 0.34 -1.34 0.00 0.00 175.55 175.21 2k22 s ASP 48 N 1.33 6.19 0.00 4.32 -1.08 0.10 -3.69 116.67 123.83 2k22 s ASP 48 Ca 0.20 -1.55 0.00 0.00 -0.52 0.00 0.00 52.55 50.68 2k22 s ASP 48 Cb 0.09 -2.26 0.00 0.00 -1.46 0.00 0.00 42.92 39.29 2k22 s ASP 48 CO -0.12 -1.00 0.00 0.61 0.52 0.00 0.00 175.17 175.18 2k22 n GLY 49 N 5.27 0.96 2.54 2.66 0.00 -1.26 -3.89 105.19 111.46 2k22 n GLY 49 Ca -0.11 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 0.86 -5.08 -3.62 1.61 3.02 -1.26 -4.94 115.26 105.85 2k22 n ASN 50 Ca 0.00 0.35 -0.12 0.00 -0.03 0.00 0.00 54.58 54.78 2k22 n ASN 50 Cb 0.31 -3.83 -0.05 0.00 -0.61 0.00 0.00 39.78 35.60 2k22 n ASN 50 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2k22 s ASN 51 N -2.69 -0.29 0.22 6.41 2.47 -1.25 -5.10 114.94 114.69 2k22 s ASN 51 Ca 0.00 -0.14 -0.31 0.00 0.42 0.00 0.00 52.86 52.83 2k22 s ASN 51 Cb 0.00 0.47 -0.11 0.00 -1.45 0.00 0.00 41.25 40.16 2k22 s ASN 51 CO 0.00 -0.79 1.57 -0.76 -3.72 0.00 0.00 177.10 173.41 2k22 s LEU 52 N -2.46 4.37 -0.04 3.21 1.43 -1.26 0.01 118.68 123.94 2k22 s LEU 52 Ca -0.01 2.74 -0.01 0.00 -1.03 0.00 0.00 54.13 55.83 2k22 s LEU 52 Cb 0.01 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 2k22 s LEU 52 CO -0.08 -0.84 0.09 0.15 0.23 0.00 0.00 176.35 175.89 2k22 h PHE 53 N 6.02 -0.04 0.00 0.29 3.57 -1.82 -3.43 116.94 121.52 2k22 h PHE 53 Ca -0.44 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 60.96 2k22 h PHE 53 Cb 1.21 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 2k22 h PHE 53 CO 0.62 -0.02 -0.74 -0.22 -2.23 0.00 0.00 178.31 175.72 2k22 h LYS 54 N -0.42 0.00 0.00 1.11 1.63 -1.93 -3.48 116.57 113.48 2k22 h LYS 54 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2k22 h LYS 54 Cb 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2k22 h LYS 54 CO 0.01 0.53 0.00 0.09 -3.45 0.00 0.00 179.45 176.63 2k22 n ASN 55 N -4.55 0.00 -4.65 4.20 5.03 -1.26 -4.86 115.26 109.16 2k22 n ASN 55 Ca -0.18 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 54.85 2k22 n ASN 55 Cb 0.44 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.18 2k22 n ASN 55 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2k22 s VAL 56 N 0.00 3.71 -0.30 2.41 1.01 -1.26 -3.70 120.40 122.27 2k22 s VAL 56 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 2k22 s VAL 56 Cb 0.00 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.82 2k22 s VAL 56 CO 0.00 -0.15 -0.01 -0.63 0.00 0.00 0.00 175.10 174.31 2k22 s ILE 57 N 4.43 2.87 -0.09 2.22 1.01 -0.54 -4.86 121.20 126.24 2k22 s ILE 57 Ca 0.70 -1.46 0.04 0.00 0.00 0.00 0.00 60.65 59.93 2k22 s ILE 57 Cb -0.29 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2k22 s ILE 57 CO 0.27 -0.13 -0.21 -0.51 0.00 0.00 0.00 174.94 174.36 2k22 s ILE 58 N 1.22 1.84 0.29 2.92 2.07 -1.26 -0.87 121.20 127.41 2k22 s ILE 58 Ca -0.05 -0.89 0.08 0.00 -1.41 0.00 0.00 60.65 58.37 2k22 s ILE 58 Cb -0.20 -1.61 -0.04 0.00 0.13 0.00 0.00 42.46 40.75 2k22 s ILE 58 CO -0.02 0.51 0.19 -0.76 -1.91 0.00 0.00 174.94 172.95 2k22 s LEU 59 N 0.42 3.58 -0.10 8.50 2.01 -0.76 -4.91 118.68 127.43 2k22 s LEU 59 Ca -0.18 -0.46 0.00 0.00 0.01 0.00 0.00 54.13 53.51 2k22 s LEU 59 Cb -0.17 -2.13 0.02 0.00 0.01 0.00 0.00 46.19 43.92 2k22 s LEU 59 CO 0.08 -0.16 -0.09 -0.69 1.01 0.00 0.00 176.35 176.50 2k22 s VAL 60 N -2.25 1.09 -1.48 -1.59 1.01 -1.23 -2.32 120.40 113.62 2k22 s VAL 60 Ca 0.36 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2k22 s VAL 60 Cb -0.06 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.25 2k22 s VAL 60 CO 0.24 0.37 0.00 -3.20 0.00 0.00 0.00 175.10 172.51 2k22 n ASN 61 N 4.66 -4.65 -0.67 3.32 5.15 0.12 -0.49 115.26 122.70 2k22 n ASN 61 Ca -0.15 0.19 -0.06 0.00 -0.60 0.00 0.00 54.58 53.95 2k22 n ASN 61 Cb 0.50 -3.99 -0.01 0.00 -0.53 0.00 0.00 39.78 35.75 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 -0.73 0.24 3.45 8.20 0.00 -1.26 -4.89 105.19 110.21 2k22 n GLY 62 Ca -0.18 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.19 2k22 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k22 s ASN 63 N -2.76 -0.71 -0.00 1.61 0.01 0.35 -5.13 114.94 108.31 2k22 s ASN 63 Ca 0.00 0.96 -0.36 0.00 -0.71 0.00 0.00 52.86 52.76 2k22 s ASN 63 Cb 0.00 1.80 -0.14 0.00 0.41 0.00 0.00 41.25 43.32 2k22 s ASN 63 CO 0.00 -0.14 1.63 -3.20 -1.51 0.00 0.00 177.10 173.89 2k22 n ASN 64 N 5.09 2.72 0.24 -1.22 2.85 -1.26 -3.48 115.26 120.20 2k22 n ASN 64 Ca -0.10 1.06 0.13 0.00 -0.11 0.00 0.00 54.58 55.56 2k22 n ASN 64 Cb 0.52 -1.31 0.76 0.00 1.24 0.00 0.00 39.78 40.99 2k22 n ASN 64 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 2k22 h ILE 65 N 4.32 0.75 -0.06 -1.44 3.07 -1.84 -0.85 117.51 121.47 2k22 h ILE 65 Ca -0.47 0.00 0.02 0.00 1.55 0.00 0.00 64.86 65.96 2k22 h ILE 65 Cb 1.29 0.95 -0.00 0.00 -0.27 0.00 0.00 36.82 38.79 2k22 h ILE 65 CO 0.89 0.00 0.05 0.71 -1.05 0.00 0.00 178.15 178.75 2k22 h THR 66 N 0.00 0.66 -0.84 0.16 1.35 -1.86 -1.39 112.91 111.00 2k22 h THR 66 Ca 0.04 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.08 2k22 h THR 66 Cb 0.18 0.96 -0.11 0.00 -1.73 0.00 0.00 68.15 67.45 2k22 h THR 66 CO -0.00 0.00 0.35 0.28 -0.25 0.00 0.00 175.52 175.90 2k22 h SER 67 N 0.00 0.31 0.00 5.36 0.02 -1.51 -3.40 113.55 114.33 2k22 h SER 67 Ca 0.03 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2k22 h SER 67 Cb 0.13 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2k22 h SER 67 CO -0.00 0.06 0.00 1.15 -1.14 0.00 0.00 176.83 176.90 2k22 n MET 68 N -5.02 0.00 -4.84 3.45 -0.00 -0.88 -5.09 117.12 104.74 2k22 n MET 68 Ca 0.18 0.00 -0.27 0.00 -0.00 0.00 0.00 57.70 57.61 2k22 n MET 68 Cb 0.54 0.00 -0.17 0.00 -0.00 0.00 0.00 33.22 33.59 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 -0.47 2.09 0.00 3.17 -0.14 -0.58 -5.06 119.74 118.75 2k22 s LYS 69 Ca 0.00 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.01 2k22 s LYS 69 Cb 0.00 -1.70 0.00 0.00 -1.68 0.00 0.00 37.83 34.45 2k22 s LYS 69 CO 0.00 0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.14 2k22 n GLY 70 N 3.51 -2.03 0.16 -3.33 0.00 -1.22 -3.10 105.19 99.17 2k22 n GLY 70 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2k22 n GLY 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k22 h LEU 71 N 0.00 0.00 0.00 0.99 4.07 -1.91 -2.92 115.31 115.54 2k22 h LEU 71 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2k22 h LEU 71 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2k22 h LEU 71 CO 0.00 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 177.83 2k22 n ASP 72 N -2.58 0.00 -4.71 -0.43 9.92 -1.26 -0.15 116.55 117.35 2k22 n ASP 72 Ca 0.04 0.08 -0.42 0.00 -0.53 0.00 0.00 54.79 53.96 2k22 n ASP 72 Cb 0.39 -0.34 -0.03 0.00 -0.64 0.00 0.00 41.12 40.50 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 -2.68 2.39 0.46 -3.53 2.01 -1.11 -4.86 115.64 108.32 2k22 s THR 73 Ca 0.20 0.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.12 2k22 s THR 73 Cb 0.16 -3.08 -0.10 0.00 0.01 0.00 0.00 72.50 69.50 2k22 s THR 73 CO 0.38 0.00 0.97 -1.83 -0.69 0.00 0.00 174.62 173.46 2k22 s GLU 74 N 1.94 4.10 -0.04 4.92 1.03 -1.26 -2.12 118.70 127.26 2k22 s GLU 74 Ca 0.77 1.11 -0.05 0.00 0.03 0.00 0.00 54.97 56.83 2k22 s GLU 74 Cb -0.47 -2.16 0.01 0.00 -0.80 0.00 0.00 34.13 30.72 2k22 s GLU 74 CO 0.34 -0.14 0.13 0.96 -1.33 0.00 0.00 175.26 175.21 2k22 s ILE 75 N -2.26 0.01 0.47 1.83 -4.36 -0.53 -4.89 121.20 111.47 2k22 s ILE 75 Ca 0.62 -0.07 0.06 0.00 -0.26 0.00 0.00 60.65 61.00 2k22 s ILE 75 Cb -0.10 -0.21 -0.01 0.00 1.25 0.00 0.00 42.46 43.39 2k22 s ILE 75 CO 0.18 -0.04 0.26 -0.54 0.24 0.00 0.00 174.94 175.05 2k22 s LYS 76 N -0.06 2.27 0.58 0.37 -0.14 -1.26 -4.32 119.74 117.17 2k22 s LYS 76 Ca -0.01 -1.95 0.27 0.00 -1.36 0.00 0.00 55.97 52.92 2k22 s LYS 76 Cb -0.02 -2.01 1.59 0.00 -1.68 0.00 0.00 37.83 35.72 2k22 s LYS 76 CO 0.00 -0.34 2.08 0.38 -0.76 0.00 0.00 175.35 176.72 2k22 h ASP 77 N 1.13 0.00 0.33 2.83 2.03 -1.98 -0.41 116.42 120.35 2k22 h ASP 77 Ca -0.41 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 55.63 2k22 h ASP 77 Cb 1.28 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.79 2k22 h ASP 77 CO 0.65 0.00 -1.12 -0.78 -1.03 0.00 0.00 179.24 176.95 2k22 h ASP 78 N 0.00 0.63 -3.23 4.15 1.82 -1.95 -3.42 116.42 114.43 2k22 h ASP 78 Ca 0.10 -0.57 -0.58 0.00 -0.39 0.00 0.00 57.03 55.60 2k22 h ASP 78 Cb 0.54 -0.20 0.15 0.00 0.68 0.00 0.00 39.33 40.51 2k22 h ASP 78 CO -0.00 1.40 0.03 0.47 -1.61 0.00 0.00 179.24 179.53 2k22 n ASP 79 N -3.71 0.59 -3.78 2.28 9.92 -0.16 -5.01 116.55 116.67 2k22 n ASP 79 Ca -0.10 0.89 -0.13 0.00 -0.53 0.00 0.00 54.79 54.92 2k22 n ASP 79 Cb 0.93 -1.33 -0.13 0.00 -0.64 0.00 0.00 41.12 39.95 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 -2.30 0.13 -0.16 -1.24 -2.85 -1.26 -4.37 119.74 107.69 2k22 s LYS 80 Ca 0.69 0.29 -0.06 0.00 -1.00 0.00 0.00 55.97 55.89 2k22 s LYS 80 Cb -0.48 -0.05 -0.04 0.00 -2.06 0.00 0.00 37.83 35.20 2k22 s LYS 80 CO 0.53 -0.09 0.04 0.42 0.10 0.00 0.00 175.35 176.34 2k22 s ILE 81 N 0.63 4.61 -0.07 3.79 1.09 0.38 -0.70 121.20 130.92 2k22 s ILE 81 Ca -0.05 -0.11 0.04 0.00 -1.10 0.00 0.00 60.65 59.44 2k22 s ILE 81 Cb -0.06 -3.04 0.00 0.00 -1.06 0.00 0.00 42.46 38.30 2k22 s ILE 81 CO -0.03 0.50 -0.20 -1.81 -0.10 0.00 0.00 174.94 173.30 2k22 s ASP 82 N 0.10 2.52 -0.15 3.58 1.01 -0.98 -2.69 116.67 120.06 2k22 s ASP 82 Ca 0.04 -0.43 -0.06 0.00 0.71 0.00 0.00 52.55 52.81 2k22 s ASP 82 Cb -0.12 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.82 2k22 s ASP 82 CO 0.01 0.14 0.06 -0.22 0.21 0.00 0.00 175.17 175.37 2k22 s LEU 83 N 0.24 3.83 -0.06 1.23 0.20 -1.24 -1.82 118.68 121.06 2k22 s LEU 83 Ca -0.11 0.16 0.05 0.00 0.69 0.00 0.00 54.13 54.92 2k22 s LEU 83 Cb -0.15 -1.94 -0.01 0.00 -0.43 0.00 0.00 46.19 43.67 2k22 s LEU 83 CO 0.05 0.27 -0.24 0.12 -0.29 0.00 0.00 176.35 176.26 2k22 s PHE 84 N -0.20 2.35 0.92 5.38 5.36 -0.05 -4.56 117.98 127.19 2k22 s PHE 84 Ca 0.07 -0.75 -0.12 0.00 -0.96 0.00 0.00 56.93 55.18 2k22 s PHE 84 Cb -0.12 -1.55 0.14 0.00 -0.34 0.00 0.00 43.02 41.15 2k22 s PHE 84 CO 0.01 -0.25 1.09 -1.25 -1.46 0.00 0.00 175.22 173.37 2k22 s PRO 85 N -0.03 1.05 0.49 10.12 0.04 -1.26 -1.47 135.00 143.93 2k22 s PRO 85 Ca -0.07 0.75 -0.22 0.00 0.04 0.00 0.00 61.00 61.51 2k22 s PRO 85 Cb -0.14 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 2k22 s PRO 85 CO 0.04 -2.37 1.15 -1.25 0.04 0.00 0.00 177.00 174.62 2k22 s PRO 86 N -4.94 3.61 0.52 0.56 0.04 -1.24 -4.51 135.00 129.04 2k22 s PRO 86 Ca 0.64 1.71 0.28 0.00 0.04 0.00 0.00 61.00 63.68 2k22 s PRO 86 Cb -0.18 -2.26 1.41 0.00 0.04 0.00 0.00 34.50 33.51 2k22 s PRO 86 CO 0.57 -0.66 1.90 -0.39 0.04 0.00 0.00 177.00 178.46 2k22 h VAL 87 N 1.62 0.60 0.00 -0.36 -1.51 -1.90 -3.16 116.25 111.54 2k22 h VAL 87 Ca -0.50 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 2k22 h VAL 87 Cb 1.25 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2k22 h VAL 87 CO 0.59 0.01 0.00 0.00 -1.23 0.00 0.00 177.57 176.94 2k22 n ALA 88 N -2.67 0.00 0.00 5.19 0.00 -1.26 -5.09 120.51 116.68 2k22 n ALA 88 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2k22 n ALA 88 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 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 1.93 0.52 1.60 0.00 0.00 -1.20 -5.21 105.19 102.83 2k22 n GLY 89 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93