#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 1.99 -0.08 1.12 -7.23 0.87 -4.07 120.40 113.01 2k22 s VAL 2 Ca 0.00 -1.05 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 2k22 s VAL 2 Cb 0.00 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2k22 s VAL 2 CO 0.00 0.56 -0.18 -0.89 -0.31 0.00 0.00 175.10 174.28 2k22 s THR 3 N -0.28 2.70 0.33 5.32 2.01 -1.26 -1.76 115.64 122.70 2k22 s THR 3 Ca 0.00 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.27 2k22 s THR 3 Cb -0.12 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 2k22 s THR 3 CO 0.02 0.56 0.09 0.68 -0.69 0.00 0.00 174.62 175.28 2k22 s VAL 4 N -0.12 2.99 0.01 3.82 -7.23 -1.25 -0.08 120.40 118.53 2k22 s VAL 4 Ca -0.03 -1.80 0.02 0.00 -1.81 0.00 0.00 61.98 58.36 2k22 s VAL 4 Cb -0.14 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 2k22 s VAL 4 CO 0.04 -0.22 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.42 2k22 s ARG 5 N -3.78 0.46 0.01 4.82 1.81 -1.13 -4.77 118.95 116.37 2k22 s ARG 5 Ca 0.36 -0.31 0.01 0.00 -1.72 0.00 0.00 55.73 54.07 2k22 s ARG 5 Cb -0.02 -0.41 -0.01 0.00 -0.45 0.00 0.00 34.95 34.06 2k22 s ARG 5 CO 0.21 0.10 -0.04 0.71 -0.68 0.00 0.00 175.30 175.60 2k22 s TYR 6 N -0.39 0.39 0.54 -0.53 2.02 -1.26 -3.53 117.35 114.59 2k22 s TYR 6 Ca -0.00 -0.24 0.08 0.00 -0.37 0.00 0.00 57.07 56.53 2k22 s TYR 6 Cb -0.04 -0.24 0.08 0.00 -0.40 0.00 0.00 41.96 41.36 2k22 s TYR 6 CO -0.00 -0.05 0.67 0.66 -1.57 0.00 0.00 175.55 175.25 2k22 n TYR 7 N 2.39 -1.90 0.17 2.71 4.02 -1.26 -4.92 117.16 118.37 2k22 n TYR 7 Ca -0.17 -2.06 0.18 0.00 -0.01 0.00 0.00 57.90 55.85 2k22 n TYR 7 Cb 0.57 -0.50 0.80 0.00 -0.02 0.00 0.00 39.34 40.19 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 0.27 1.91 0.00 -0.72 0.00 -2.00 0.29 119.26 119.01 2k22 h ALA 8 Ca -0.28 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2k22 h ALA 8 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2k22 h ALA 8 CO 0.41 -0.44 -0.47 1.79 0.00 0.00 0.00 179.25 180.53 2k22 h THR 9 N 0.00 1.01 -0.51 0.00 1.35 -1.93 -3.03 112.91 109.80 2k22 h THR 9 Ca 0.13 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 2k22 h THR 9 Cb 0.74 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2k22 h THR 9 CO -0.00 0.46 0.00 0.18 -0.25 0.00 0.00 175.52 175.91 2k22 n LEU 10 N -3.51 3.43 0.42 3.87 4.32 0.90 -4.63 117.00 121.80 2k22 n LEU 10 Ca 0.00 -2.04 -0.19 0.00 -0.02 0.00 0.00 56.01 53.75 2k22 n LEU 10 Cb 0.59 -0.35 -0.10 0.00 -1.62 0.00 0.00 43.42 41.94 2k22 n LEU 10 CO 0.39 0.83 0.55 -0.09 -1.22 0.00 0.00 177.39 177.85 2k22 h ARG 11 N 2.98 -1.13 0.00 3.23 9.65 -1.08 0.23 114.38 128.26 2k22 h ARG 11 Ca 0.00 0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2k22 h ARG 11 Cb 0.88 0.26 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 2k22 h ARG 11 CO 0.02 -0.75 0.00 -0.35 2.80 0.00 0.00 179.97 181.68 2k22 n PRO 12 N -5.61 0.04 -0.01 0.20 -0.04 -1.26 -0.56 135.00 127.76 2k22 n PRO 12 Ca -0.15 0.24 0.04 0.00 -0.04 0.00 0.00 63.50 63.59 2k22 n PRO 12 Cb 0.49 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.46 0.69 -0.21 0.52 5.41 -0.89 -4.22 119.36 119.20 2k22 n ILE 13 Ca 0.04 -0.64 0.06 0.00 1.00 0.00 0.00 62.75 63.21 2k22 n ILE 13 Cb 0.16 -0.33 0.15 0.00 -0.71 0.00 0.00 39.64 38.91 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 -2.58 1.07 -1.70 1.39 5.66 0.76 -4.76 114.28 114.12 2k22 n THR 14 Ca -0.12 -1.05 -0.18 0.00 -3.05 0.00 0.00 64.05 59.66 2k22 n THR 14 Cb 0.77 0.46 -0.06 0.00 -1.55 0.00 0.00 70.33 69.94 2k22 n THR 14 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2k22 n LYS 15 N 0.43 -1.31 -3.47 1.09 4.81 -0.51 -3.21 118.16 115.99 2k22 n LYS 15 Ca 0.12 1.09 -0.17 0.00 -0.87 0.00 0.00 58.31 58.48 2k22 n LYS 15 Cb 0.45 -5.42 0.02 0.00 0.02 0.00 0.00 35.03 30.09 2k22 n LYS 15 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2k22 n LYS 16 N -2.53 -1.39 -3.52 1.64 5.02 0.28 -5.01 118.16 112.65 2k22 n LYS 16 Ca -0.19 0.96 0.01 0.00 -2.02 0.00 0.00 58.31 57.06 2k22 n LYS 16 Cb 0.61 -4.24 -0.05 0.00 -0.02 0.00 0.00 35.03 31.33 2k22 n LYS 16 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2k22 s LYS 17 N -4.48 0.23 0.02 1.97 2.20 -1.20 -5.14 119.74 113.34 2k22 s LYS 17 Ca 0.15 0.46 0.07 0.00 -0.36 0.00 0.00 55.97 56.29 2k22 s LYS 17 Cb -0.05 0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 2k22 s LYS 17 CO 0.83 -0.06 -0.19 -2.00 -0.36 0.00 0.00 175.35 173.57 2k22 s GLU 18 N 1.64 2.13 0.17 4.03 -6.30 -1.26 -4.98 118.70 114.13 2k22 s GLU 18 Ca -0.06 -0.94 -0.18 0.00 -2.50 0.00 0.00 54.97 51.29 2k22 s GLU 18 Cb -0.03 -2.19 0.04 0.00 0.00 0.00 0.00 34.13 31.95 2k22 s GLU 18 CO -0.14 0.55 0.51 -1.83 0.02 0.00 0.00 175.26 174.38 2k22 s GLU 19 N -1.20 1.30 0.02 4.30 -1.05 -1.26 -5.10 118.70 115.71 2k22 s GLU 19 Ca 0.13 -0.76 -0.01 0.00 -0.15 0.00 0.00 54.97 54.19 2k22 s GLU 19 Cb -0.10 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 2k22 s GLU 19 CO 0.03 -0.55 0.16 0.95 0.95 0.00 0.00 175.26 176.81 2k22 s THR 20 N -3.83 5.23 0.02 1.83 -4.23 -1.26 -4.30 115.64 109.10 2k22 s THR 20 Ca 0.06 -0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.31 2k22 s THR 20 Cb -0.00 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 2k22 s THR 20 CO -0.07 0.26 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.78 2k22 s PHE 21 N -1.36 1.24 0.31 3.99 0.08 -0.72 -4.92 117.98 116.60 2k22 s PHE 21 Ca 0.29 -0.31 0.10 0.00 0.12 0.00 0.00 56.93 57.13 2k22 s PHE 21 Cb -0.13 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.51 2k22 s PHE 21 CO 0.21 0.02 -0.10 1.21 -0.10 0.00 0.00 175.22 176.45 2k22 s ASN 22 N -0.84 3.87 0.00 1.36 2.47 -1.26 -0.09 114.94 120.45 2k22 s ASN 22 Ca 0.03 -1.03 0.00 0.00 0.42 0.00 0.00 52.86 52.28 2k22 s ASN 22 Cb -0.07 -0.43 0.00 0.00 -1.45 0.00 0.00 41.25 39.30 2k22 s ASN 22 CO 0.01 -0.10 0.00 0.61 -3.72 0.00 0.00 177.10 173.89 2k22 n GLY 23 N -0.78 2.73 3.62 1.21 0.00 -1.26 -4.97 105.19 105.74 2k22 n GLY 23 Ca -0.05 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 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 3.82 -0.60 -0.61 -1.09 -1.26 -5.04 121.20 116.41 2k22 s ILE 24 Ca 0.00 -0.62 0.04 0.00 -2.23 0.00 0.00 60.65 57.84 2k22 s ILE 24 Cb 0.00 -2.64 0.37 0.00 -1.58 0.00 0.00 42.46 38.61 2k22 s ILE 24 CO 0.00 0.46 1.23 -1.54 -1.23 0.00 0.00 174.94 173.86 2k22 n SER 25 N 1.75 5.24 -3.70 3.58 3.41 -1.26 -4.80 113.62 117.84 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 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 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 -3.67 0.84 0.37 4.33 1.02 -1.26 -1.53 119.74 119.84 2k22 s LYS 26 Ca 0.48 -0.31 0.17 0.00 0.02 0.00 0.00 55.97 56.33 2k22 s LYS 26 Cb 0.34 0.37 0.67 0.00 -0.52 0.00 0.00 37.83 38.69 2k22 s LYS 26 CO -0.19 -0.27 1.74 0.82 -0.92 0.00 0.00 175.35 176.53 2k22 h ILE 27 N 3.27 0.99 -0.13 2.17 1.08 -1.64 -2.80 117.51 120.44 2k22 h ILE 27 Ca -0.31 -1.54 0.05 0.00 -0.39 0.00 0.00 64.86 62.67 2k22 h ILE 27 Cb 1.19 1.91 -0.06 0.00 -3.07 0.00 0.00 36.82 36.80 2k22 h ILE 27 CO 0.43 0.39 -0.23 -1.28 -0.69 0.00 0.00 178.15 176.77 2k22 h SER 28 N 0.00 -0.72 -0.15 1.72 0.87 -1.81 0.19 113.55 113.64 2k22 h SER 28 Ca -0.00 0.12 -0.22 0.00 -1.23 0.00 0.00 61.79 60.45 2k22 h SER 28 Cb 0.88 0.32 0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2k22 h SER 28 CO 0.05 -0.28 -0.76 -0.33 -0.53 0.00 0.00 176.83 174.98 2k22 h GLU 29 N -0.29 0.80 -0.23 2.24 4.39 -1.91 -2.11 114.58 117.47 2k22 h GLU 29 Ca 0.10 -0.64 0.05 0.00 0.34 0.00 0.00 59.36 59.21 2k22 h GLU 29 Cb 0.44 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.18 2k22 h GLU 29 CO -0.30 1.25 -0.08 1.25 -1.16 0.00 0.00 179.01 179.96 2k22 h LEU 30 N 0.55 -0.29 0.07 1.33 5.85 -1.18 0.18 115.31 121.82 2k22 h LEU 30 Ca -0.05 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k22 h LEU 30 Cb 1.39 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.59 2k22 h LEU 30 CO 0.16 -0.11 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.05 2k22 h LEU 31 N -0.04 -0.08 -1.69 2.25 3.38 -0.68 -1.32 115.31 117.13 2k22 h LEU 31 Ca 0.12 -0.34 0.17 0.00 0.09 0.00 0.00 57.88 57.92 2k22 h LEU 31 Cb 0.22 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2k22 h LEU 31 CO -0.26 0.30 0.51 -0.08 0.09 0.00 0.00 178.44 179.01 2k22 h GLU 32 N -0.47 0.28 0.09 1.13 4.81 -1.18 0.26 114.58 119.49 2k22 h GLU 32 Ca -0.01 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.93 2k22 h GLU 32 Cb 0.41 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.74 2k22 h GLU 32 CO 0.02 0.19 -1.16 0.00 -0.73 0.00 0.00 179.01 177.32 2k22 h ARG 33 N 0.29 0.50 0.13 1.92 2.47 -0.50 -2.93 114.38 116.26 2k22 h ARG 33 Ca 0.37 -0.66 -0.01 0.00 -1.26 0.00 0.00 59.98 58.43 2k22 h ARG 33 Cb 1.04 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2k22 h ARG 33 CO -0.10 1.27 -0.06 -0.07 0.56 0.00 0.00 179.97 181.58 2k22 h LEU 34 N 0.23 -0.15 -0.66 3.04 4.07 0.17 0.26 115.31 122.26 2k22 h LEU 34 Ca -0.15 -0.35 0.10 0.00 0.08 0.00 0.00 57.88 57.56 2k22 h LEU 34 Cb 1.83 0.04 -0.07 0.00 1.08 0.00 0.00 40.66 43.54 2k22 h LEU 34 CO 0.21 0.31 0.28 0.07 -1.08 0.00 0.00 178.44 178.23 2k22 h LYS 35 N -0.65 0.47 -0.02 1.13 5.09 -0.72 -1.29 116.57 120.58 2k22 h LYS 35 Ca -0.02 -0.03 -0.18 0.00 0.09 0.00 0.00 60.65 60.52 2k22 h LYS 35 Cb 0.49 -0.11 -0.01 0.00 0.10 0.00 0.00 32.23 32.71 2k22 h LYS 35 CO 0.03 0.31 -0.79 0.28 -2.09 0.00 0.00 179.45 177.19 2k22 h VAL 36 N 0.48 1.47 -0.61 0.07 2.07 -1.54 0.41 116.25 118.61 2k22 h VAL 36 Ca 0.34 -2.45 0.12 0.00 0.82 0.00 0.00 66.70 65.53 2k22 h VAL 36 Cb 0.41 2.33 -0.12 0.00 -1.52 0.00 0.00 31.29 32.40 2k22 h VAL 36 CO -0.31 0.71 -0.18 -0.33 0.02 0.00 0.00 177.57 177.49 2k22 h GLU 37 N 0.11 -0.03 0.00 1.57 4.39 0.74 -3.15 114.58 118.21 2k22 h GLU 37 Ca -0.03 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.31 2k22 h GLU 37 Cb 1.38 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.97 2k22 h GLU 37 CO 0.12 -0.02 -2.38 0.98 -1.16 0.00 0.00 179.01 176.55 2k22 n TYR 38 N -5.43 0.00 0.00 4.33 9.36 -1.12 -5.09 117.16 119.21 2k22 n TYR 38 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 2k22 n TYR 38 Cb 0.33 -0.94 0.00 0.00 -0.63 0.00 0.00 39.34 38.09 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 2.23 0.28 0.39 2.98 0.00 0.14 -4.71 105.19 106.51 2k22 n GLY 39 Ca -0.41 -2.29 0.20 0.00 0.00 0.00 0.00 46.02 43.51 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 0.07 -0.37 1.61 4.64 -1.93 -1.63 113.55 115.93 2k22 h SER 40 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 2k22 h SER 40 Cb 0.00 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.00 2k22 h SER 40 CO 0.00 0.04 -0.16 -0.33 -0.87 0.00 0.00 176.83 175.51 2k22 h GLU 41 N 0.08 -0.09 -0.01 4.77 4.39 -1.89 0.26 114.58 122.10 2k22 h GLU 41 Ca 0.29 0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.84 2k22 h GLU 41 Cb 1.04 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2k22 h GLU 41 CO -0.02 -0.06 -0.59 0.35 -1.16 0.00 0.00 179.01 177.53 2k22 h PHE 42 N -0.09 0.61 -0.61 4.33 3.57 -1.62 -2.31 116.94 120.82 2k22 h PHE 42 Ca 0.19 -0.32 0.11 0.00 3.53 0.00 0.00 57.97 61.47 2k22 h PHE 42 Cb 0.37 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.96 2k22 h PHE 42 CO -0.39 1.14 0.15 1.15 -2.23 0.00 0.00 178.31 178.13 2k22 h THR 43 N -0.10 0.67 0.00 4.41 2.02 -1.00 0.30 112.91 119.21 2k22 h THR 43 Ca -0.07 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 2k22 h THR 43 Cb 1.30 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 2k22 h THR 43 CO 0.12 0.05 -0.53 0.11 0.37 0.00 0.00 175.52 175.64 2k22 h LYS 44 N 0.29 0.00 -0.06 6.66 1.79 -0.54 0.37 116.57 125.08 2k22 h LYS 44 Ca 0.32 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.62 2k22 h LYS 44 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2k22 h LYS 44 CO -0.38 0.53 -0.67 0.37 -1.08 0.00 0.00 179.45 178.21 2k22 h GLN 45 N 0.00 0.27 -0.25 3.15 -0.00 -0.40 -3.05 115.11 114.83 2k22 h GLN 45 Ca -0.01 -0.21 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 2k22 h GLN 45 Cb 1.15 0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.67 2k22 h GLN 45 CO 0.07 0.84 0.00 0.00 0.00 0.00 0.00 178.83 179.74 2k22 n MET 46 N -3.83 2.04 -2.85 1.69 0.00 0.87 -4.64 117.12 110.40 2k22 n MET 46 Ca -0.03 -1.79 0.03 0.00 0.00 0.00 0.00 57.70 55.90 2k22 n MET 46 Cb 0.67 -1.29 0.00 0.00 0.00 0.00 0.00 33.22 32.60 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 -1.03 -0.30 -0.59 3.17 5.04 0.13 -4.72 117.35 119.06 2k22 s TYR 47 Ca 0.22 0.08 -0.03 0.00 -2.44 0.00 0.00 57.07 54.90 2k22 s TYR 47 Cb 0.13 0.05 0.15 0.00 0.35 0.00 0.00 41.96 42.64 2k22 s TYR 47 CO 0.17 -0.20 0.40 0.34 -1.34 0.00 0.00 175.55 174.93 2k22 s ASP 48 N 2.23 5.26 0.00 4.32 2.15 0.10 -3.55 116.67 127.18 2k22 s ASP 48 Ca 0.18 -2.70 0.00 0.00 0.43 0.00 0.00 52.55 50.47 2k22 s ASP 48 Cb 0.02 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 2k22 s ASP 48 CO -0.17 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.03 2k22 n GLY 49 N 3.70 0.94 2.63 2.66 0.00 -1.26 -4.11 105.19 109.75 2k22 n GLY 49 Ca 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 0.38 -4.95 -3.65 1.61 4.13 -1.26 -4.93 115.26 106.59 2k22 n ASN 50 Ca 0.00 0.05 -0.10 0.00 1.68 0.00 0.00 54.58 56.20 2k22 n ASN 50 Cb 0.15 -2.62 -0.04 0.00 -1.54 0.00 0.00 39.78 35.73 2k22 n ASN 50 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2k22 s ASN 51 N -2.12 -0.29 0.54 6.41 -0.87 -1.26 -5.11 114.94 112.24 2k22 s ASN 51 Ca 0.00 -0.35 -0.22 0.00 -1.57 0.00 0.00 52.86 50.72 2k22 s ASN 51 Cb 0.00 0.54 -0.05 0.00 -0.02 0.00 0.00 41.25 41.72 2k22 s ASN 51 CO 0.00 -0.96 1.34 -0.76 -2.57 0.00 0.00 177.10 174.15 2k22 s LEU 52 N -2.83 3.87 -0.04 0.60 2.01 -1.26 0.01 118.68 121.04 2k22 s LEU 52 Ca 0.06 2.72 -0.01 0.00 0.01 0.00 0.00 54.13 56.90 2k22 s LEU 52 Cb 0.00 -4.27 -0.01 0.00 0.01 0.00 0.00 46.19 41.93 2k22 s LEU 52 CO -0.08 -1.50 0.09 0.15 1.01 0.00 0.00 176.35 176.02 2k22 h PHE 53 N 1.52 -0.04 0.00 0.29 3.57 -1.82 -3.44 116.94 117.02 2k22 h PHE 53 Ca -0.51 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 60.92 2k22 h PHE 53 Cb 1.29 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2k22 h PHE 53 CO 0.47 -0.03 -0.62 -0.22 -2.23 0.00 0.00 178.31 175.68 2k22 h LYS 54 N -0.47 0.00 0.00 1.11 1.63 -1.94 -3.49 116.57 113.42 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 0.39 0.00 0.09 -3.45 0.00 0.00 179.45 176.49 2k22 n ASN 55 N -4.58 0.00 -4.77 4.20 3.02 -1.26 -4.94 115.26 106.93 2k22 n ASN 55 Ca -0.14 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.00 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 2.62 -0.26 2.41 1.01 -1.26 -3.68 120.40 121.23 2k22 s VAL 56 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2k22 s VAL 56 Cb 0.00 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 33.06 2k22 s VAL 56 CO 0.00 0.15 0.00 -0.63 0.00 0.00 0.00 175.10 174.62 2k22 s ILE 57 N -1.13 1.33 -0.05 2.22 1.01 -0.30 -4.93 121.20 119.35 2k22 s ILE 57 Ca 0.50 -1.29 0.05 0.00 0.00 0.00 0.00 60.65 59.91 2k22 s ILE 57 Cb -0.41 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 2k22 s ILE 57 CO 0.54 -0.30 -0.21 -0.51 0.00 0.00 0.00 174.94 174.47 2k22 s ILE 58 N 1.45 1.71 0.21 2.92 2.07 -1.26 0.13 121.20 128.44 2k22 s ILE 58 Ca 0.00 -0.87 0.09 0.00 -1.41 0.00 0.00 60.65 58.46 2k22 s ILE 58 Cb -0.18 -1.46 -0.05 0.00 0.13 0.00 0.00 42.46 40.91 2k22 s ILE 58 CO -0.11 0.48 -0.17 -0.76 -1.91 0.00 0.00 174.94 172.47 2k22 s LEU 59 N -0.06 2.53 -0.05 8.50 1.43 -0.02 -4.91 118.68 126.10 2k22 s LEU 59 Ca -0.04 -0.97 0.04 0.00 -1.03 0.00 0.00 54.13 52.13 2k22 s LEU 59 Cb -0.12 -0.84 -0.00 0.00 0.03 0.00 0.00 46.19 45.25 2k22 s LEU 59 CO 0.03 -0.07 -0.19 0.54 0.23 0.00 0.00 176.35 176.89 2k22 s VAL 60 N -2.56 1.59 -1.06 -1.59 0.11 -0.21 -1.20 120.40 115.48 2k22 s VAL 60 Ca 0.22 -0.80 -0.01 0.00 -2.93 0.00 0.00 61.98 58.47 2k22 s VAL 60 Cb -0.03 -1.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.45 2k22 s VAL 60 CO 0.09 0.45 0.04 -3.20 -3.33 0.00 0.00 175.10 169.16 2k22 n ASN 61 N 3.19 -3.87 -2.12 3.54 5.15 0.90 -0.70 115.26 121.35 2k22 n ASN 61 Ca -0.18 0.15 -0.12 0.00 -0.60 0.00 0.00 54.58 53.83 2k22 n ASN 61 Cb 0.53 -3.28 0.04 0.00 -0.53 0.00 0.00 39.78 36.53 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 -0.84 0.16 3.61 8.20 0.00 -1.26 -4.93 105.19 110.13 2k22 n GLY 62 Ca -0.13 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.23 -0.21 0.33 1.61 0.01 0.12 -5.15 114.94 108.43 2k22 s ASN 63 Ca 0.27 0.21 -0.26 0.00 -0.71 0.00 0.00 52.86 52.37 2k22 s ASN 63 Cb -0.12 0.17 -0.10 0.00 0.41 0.00 0.00 41.25 41.61 2k22 s ASN 63 CO 0.38 -0.20 0.95 0.54 -1.51 0.00 0.00 177.10 177.26 2k22 s ASN 64 N -1.15 7.30 0.27 -1.22 4.22 -1.26 -1.04 114.94 122.05 2k22 s ASN 64 Ca 0.04 1.85 0.13 0.00 -2.14 0.00 0.00 52.86 52.74 2k22 s ASN 64 Cb -0.01 -2.58 0.26 0.00 1.28 0.00 0.00 41.25 40.20 2k22 s ASN 64 CO -0.03 -0.10 1.54 0.16 -2.04 0.00 0.00 177.10 176.63 2k22 h ILE 65 N 2.58 1.21 0.00 0.54 3.07 -1.87 -3.12 117.51 119.92 2k22 h ILE 65 Ca -0.47 -2.27 -0.01 0.00 1.55 0.00 0.00 64.86 63.67 2k22 h ILE 65 Cb 1.19 2.30 -0.00 0.00 -0.27 0.00 0.00 36.82 40.05 2k22 h ILE 65 CO 0.65 0.60 -0.04 0.71 -1.05 0.00 0.00 178.15 179.02 2k22 h THR 66 N 0.00 0.71 -0.71 0.16 1.35 -1.85 -1.48 112.91 111.09 2k22 h THR 66 Ca -0.01 -0.15 0.15 0.00 -0.55 0.00 0.00 66.41 65.85 2k22 h THR 66 Cb 1.26 1.09 -0.10 0.00 -1.73 0.00 0.00 68.15 68.66 2k22 h THR 66 CO 0.08 0.04 0.20 -1.28 -0.25 0.00 0.00 175.52 174.31 2k22 h SER 67 N 0.00 0.09 0.00 5.36 0.87 -1.96 -3.40 113.55 114.51 2k22 h SER 67 Ca -0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2k22 h SER 67 Cb 0.09 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2k22 h SER 67 CO 0.00 0.01 0.00 1.15 -0.53 0.00 0.00 176.83 177.47 2k22 n MET 68 N -5.11 0.00 -4.74 2.24 -0.00 -0.98 -5.07 117.12 103.46 2k22 n MET 68 Ca 0.13 0.00 -0.31 0.00 -0.00 0.00 0.00 57.70 57.53 2k22 n MET 68 Cb 0.42 -0.01 -0.17 0.00 -0.00 0.00 0.00 33.22 33.47 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 -0.38 2.70 0.00 3.17 1.02 -0.59 -5.07 119.74 120.59 2k22 s LYS 69 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.25 2k22 s LYS 69 Cb 0.00 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 2k22 s LYS 69 CO 0.00 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 2k22 n GLY 70 N 3.95 -1.94 0.15 -3.33 0.00 -1.18 -2.93 105.19 99.91 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 -2.00 0.00 0.00 0.00 173.32 171.32 2k22 h LEU 71 N 0.00 0.00 0.00 0.99 5.85 -1.97 -2.93 115.31 117.26 2k22 h LEU 71 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k22 h LEU 71 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k22 h LEU 71 CO 0.00 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 178.57 2k22 n ASP 72 N -2.49 0.00 -4.77 1.25 9.92 -1.26 -3.12 116.55 116.08 2k22 n ASP 72 Ca 0.04 -0.44 -0.41 0.00 -0.53 0.00 0.00 54.79 53.45 2k22 n ASP 72 Cb 0.39 -0.16 -0.01 0.00 -0.64 0.00 0.00 41.12 40.70 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 -2.32 2.12 0.33 -3.53 2.01 -1.11 -4.92 115.64 108.21 2k22 s THR 73 Ca 0.33 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.47 2k22 s THR 73 Cb 0.19 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2k22 s THR 73 CO 0.38 0.03 0.50 -1.83 -0.69 0.00 0.00 174.62 173.00 2k22 s GLU 74 N -1.73 3.38 -0.17 4.92 -1.05 -1.26 -2.53 118.70 120.25 2k22 s GLU 74 Ca 0.55 -0.56 -0.04 0.00 -0.15 0.00 0.00 54.97 54.76 2k22 s GLU 74 Cb -0.46 -2.73 0.09 0.00 -0.44 0.00 0.00 34.13 30.58 2k22 s GLU 74 CO 0.59 0.17 0.29 0.96 0.95 0.00 0.00 175.26 178.22 2k22 s ILE 75 N -2.23 -0.46 0.92 1.83 -4.36 -0.58 -4.87 121.20 111.45 2k22 s ILE 75 Ca 0.40 0.12 -0.14 0.00 -0.26 0.00 0.00 60.65 60.77 2k22 s ILE 75 Cb -0.09 -0.58 0.15 0.00 1.25 0.00 0.00 42.46 43.19 2k22 s ILE 75 CO 0.34 0.00 1.22 -0.54 0.24 0.00 0.00 174.94 176.20 2k22 s LYS 76 N 2.44 1.05 0.51 0.37 1.02 -1.26 -4.38 119.74 119.50 2k22 s LYS 76 Ca 0.04 -0.06 0.19 0.00 0.02 0.00 0.00 55.97 56.16 2k22 s LYS 76 Cb -0.13 -1.86 1.30 0.00 -0.52 0.00 0.00 37.83 36.62 2k22 s LYS 76 CO -0.11 -2.19 2.11 0.38 -0.92 0.00 0.00 175.35 174.62 2k22 h ASP 77 N -1.49 0.00 0.71 2.83 2.03 -1.98 -1.91 116.42 116.61 2k22 h ASP 77 Ca -0.46 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 55.60 2k22 h ASP 77 Cb 1.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.78 2k22 h ASP 77 CO 0.52 0.07 -1.07 -0.78 -1.03 0.00 0.00 179.24 176.95 2k22 h ASP 78 N 0.00 0.27 -3.36 4.15 3.58 -1.93 -3.39 116.42 115.74 2k22 h ASP 78 Ca -0.00 -0.27 -0.54 0.00 0.42 0.00 0.00 57.03 56.64 2k22 h ASP 78 Cb 0.14 -0.09 0.20 0.00 1.72 0.00 0.00 39.33 41.31 2k22 h ASP 78 CO 0.01 1.17 -0.46 0.47 -2.88 0.00 0.00 179.24 177.55 2k22 n ASP 79 N -3.52 -1.56 -3.77 2.28 9.92 -0.72 -5.03 116.55 114.15 2k22 n ASP 79 Ca -0.05 0.45 -0.13 0.00 -0.53 0.00 0.00 54.79 54.54 2k22 n ASP 79 Cb 0.94 -1.23 -0.12 0.00 -0.64 0.00 0.00 41.12 40.08 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 -3.29 0.30 -0.14 -1.24 -2.85 -1.26 -4.35 119.74 106.90 2k22 s LYS 80 Ca 0.61 0.41 -0.06 0.00 -1.00 0.00 0.00 55.97 55.93 2k22 s LYS 80 Cb -0.27 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.56 2k22 s LYS 80 CO 0.63 -0.06 0.06 0.42 0.10 0.00 0.00 175.35 176.50 2k22 s ILE 81 N 0.35 4.83 -0.04 3.79 1.09 0.88 -0.07 121.20 132.04 2k22 s ILE 81 Ca -0.02 -0.03 0.02 0.00 -1.10 0.00 0.00 60.65 59.52 2k22 s ILE 81 Cb -0.03 -3.12 0.01 0.00 -1.06 0.00 0.00 42.46 38.25 2k22 s ILE 81 CO -0.01 0.53 -0.09 -1.81 -0.10 0.00 0.00 174.94 173.45 2k22 s ASP 82 N -0.25 1.37 -0.03 3.58 1.01 -0.34 -2.82 116.67 119.19 2k22 s ASP 82 Ca 0.08 -0.22 0.04 0.00 0.71 0.00 0.00 52.55 53.16 2k22 s ASP 82 Cb -0.12 -0.52 -0.03 0.00 1.01 0.00 0.00 42.92 43.26 2k22 s ASP 82 CO 0.01 0.03 -0.13 -0.22 0.21 0.00 0.00 175.17 175.08 2k22 s LEU 83 N 0.49 2.85 0.02 1.23 0.20 -1.23 -0.84 118.68 121.39 2k22 s LEU 83 Ca -0.09 -0.20 0.05 0.00 0.69 0.00 0.00 54.13 54.58 2k22 s LEU 83 Cb -0.12 -1.61 -0.02 0.00 -0.43 0.00 0.00 46.19 44.00 2k22 s LEU 83 CO 0.02 0.32 -0.15 -0.36 -0.29 0.00 0.00 176.35 175.88 2k22 s PHE 84 N -0.82 1.35 0.85 5.38 0.40 0.12 -4.62 117.98 120.64 2k22 s PHE 84 Ca 0.13 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 56.03 2k22 s PHE 84 Cb -0.11 -0.83 0.10 0.00 0.51 0.00 0.00 43.02 42.70 2k22 s PHE 84 CO 0.03 0.03 1.09 -1.25 0.70 0.00 0.00 175.22 175.81 2k22 s PRO 85 N -0.87 1.67 0.60 0.24 0.04 -1.26 -1.14 135.00 134.27 2k22 s PRO 85 Ca 0.04 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 61.87 2k22 s PRO 85 Cb -0.07 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2k22 s PRO 85 CO 0.01 -2.00 1.12 -1.25 0.04 0.00 0.00 177.00 174.92 2k22 s PRO 86 N -4.92 3.08 0.57 0.56 0.04 -1.24 -4.54 135.00 128.55 2k22 s PRO 86 Ca 0.62 1.50 0.27 0.00 0.04 0.00 0.00 61.00 63.44 2k22 s PRO 86 Cb -0.18 -1.98 1.52 0.00 0.04 0.00 0.00 34.50 33.91 2k22 s PRO 86 CO 0.57 -1.05 2.02 -0.39 0.04 0.00 0.00 177.00 178.19 2k22 h VAL 87 N 0.62 0.54 0.00 -0.36 -1.51 -1.92 0.17 116.25 113.78 2k22 h VAL 87 Ca -0.48 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 64.83 2k22 h VAL 87 Cb 1.25 0.76 -0.03 0.00 -2.13 0.00 0.00 31.29 31.15 2k22 h VAL 87 CO 0.55 0.00 -1.00 0.00 -1.23 0.00 0.00 177.57 175.90 2k22 h ALA 88 N 1.69 0.62 -2.37 5.19 0.00 -1.93 -3.46 119.26 119.00 2k22 h ALA 88 Ca 0.16 -0.75 -0.50 0.00 0.00 0.00 0.00 54.91 53.82 2k22 h ALA 88 Cb 0.78 0.07 0.11 0.00 0.00 0.00 0.00 17.79 18.75 2k22 h ALA 88 CO -0.00 0.91 0.35 0.20 0.00 0.00 0.00 179.25 180.71 2k22 s GLY 89 N -4.67 1.65 0.00 0.00 0.00 0.58 -5.20 107.32 99.68 2k22 s GLY 89 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.70 2k22 s GLY 89 CO 0.79 0.32 0.58 0.61 0.00 0.00 0.00 173.10 175.40