#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 1.14 -0.10 1.12 -7.23 0.47 -3.75 120.40 112.05 2k22 s VAL 2 Ca 0.00 -0.51 0.02 0.00 -1.81 0.00 0.00 61.98 59.68 2k22 s VAL 2 Cb 0.00 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.90 2k22 s VAL 2 CO 0.00 0.35 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.09 2k22 s THR 3 N 0.44 2.81 -0.02 5.32 2.01 -1.26 -1.26 115.64 123.68 2k22 s THR 3 Ca -0.10 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.18 2k22 s THR 3 Cb -0.14 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 2k22 s THR 3 CO 0.03 0.55 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.64 2k22 s VAL 4 N 0.05 1.42 0.22 3.82 1.01 -1.25 -0.20 120.40 125.47 2k22 s VAL 4 Ca -0.06 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.25 2k22 s VAL 4 Cb -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2k22 s VAL 4 CO 0.05 0.40 -0.06 -0.13 0.00 0.00 0.00 175.10 175.36 2k22 s ARG 5 N -0.37 2.15 -0.07 2.72 1.81 -1.04 -4.61 118.95 119.54 2k22 s ARG 5 Ca 0.06 -1.35 -0.03 0.00 -1.72 0.00 0.00 55.73 52.69 2k22 s ARG 5 Cb -0.07 -2.15 0.04 0.00 -0.45 0.00 0.00 34.95 32.32 2k22 s ARG 5 CO -0.00 0.40 0.16 0.71 -0.68 0.00 0.00 175.30 175.89 2k22 s TYR 6 N -2.00 -0.19 0.92 -0.53 2.02 -1.26 -2.60 117.35 113.71 2k22 s TYR 6 Ca 0.28 0.53 -0.12 0.00 -0.37 0.00 0.00 57.07 57.39 2k22 s TYR 6 Cb -0.08 -0.08 0.20 0.00 -0.40 0.00 0.00 41.96 41.61 2k22 s TYR 6 CO 0.17 -0.18 1.26 0.71 -1.57 0.00 0.00 175.55 175.94 2k22 s TYR 7 N 1.25 1.31 0.49 2.71 1.51 -1.26 -4.86 117.35 118.51 2k22 s TYR 7 Ca -0.09 0.06 0.26 0.00 -1.01 0.00 0.00 57.07 56.30 2k22 s TYR 7 Cb -0.11 -3.90 1.33 0.00 -0.11 0.00 0.00 41.96 39.17 2k22 s TYR 7 CO -0.06 -2.56 1.89 0.00 -1.11 0.00 0.00 175.55 173.71 2k22 h ALA 8 N -1.44 2.58 -0.32 3.71 0.00 -1.99 0.23 119.26 122.03 2k22 h ALA 8 Ca -0.41 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2k22 h ALA 8 Cb 1.23 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2k22 h ALA 8 CO 0.34 -0.84 0.22 1.79 0.00 0.00 0.00 179.25 180.76 2k22 h THR 9 N 0.14 0.94 -0.45 0.00 1.35 -1.99 -0.43 112.91 112.47 2k22 h THR 9 Ca 0.42 -0.07 -0.10 0.00 -0.55 0.00 0.00 66.41 66.12 2k22 h THR 9 Cb 1.45 0.73 -0.06 0.00 -1.73 0.00 0.00 68.15 68.54 2k22 h THR 9 CO -0.07 0.04 0.07 0.18 -0.25 0.00 0.00 175.52 175.49 2k22 n LEU 10 N -4.48 4.76 0.21 3.87 4.32 0.79 -4.65 117.00 121.83 2k22 n LEU 10 Ca 0.04 -3.22 -0.15 0.00 -0.02 0.00 0.00 56.01 52.66 2k22 n LEU 10 Cb 0.26 -0.64 -0.08 0.00 -1.62 0.00 0.00 43.42 41.34 2k22 n LEU 10 CO 0.35 0.82 0.64 -0.09 -1.22 0.00 0.00 177.39 177.89 2k22 h ARG 11 N 2.07 -0.50 0.00 3.23 1.12 -0.84 0.18 114.38 119.64 2k22 h ARG 11 Ca 0.13 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 2k22 h ARG 11 Cb 1.81 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.88 2k22 h ARG 11 CO 0.44 -0.25 0.00 -0.35 -3.11 0.00 0.00 179.97 176.70 2k22 n PRO 12 N -5.25 0.06 -0.10 0.20 -0.04 -1.26 -0.27 135.00 128.34 2k22 n PRO 12 Ca -0.11 0.23 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 2k22 n PRO 12 Cb 0.26 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.44 1.42 0.66 0.52 5.41 -1.03 -4.38 119.36 120.52 2k22 n ILE 13 Ca 0.04 -0.82 0.11 0.00 1.00 0.00 0.00 62.75 63.08 2k22 n ILE 13 Cb 0.15 -0.62 -0.04 0.00 -0.71 0.00 0.00 39.64 38.42 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 -2.84 0.07 -2.39 1.39 5.66 0.61 -4.90 114.28 111.89 2k22 n THR 14 Ca -0.34 -0.18 -0.17 0.00 -3.05 0.00 0.00 64.05 60.31 2k22 n THR 14 Cb 1.13 0.45 -0.00 0.00 -1.55 0.00 0.00 70.33 70.36 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 -1.81 -1.66 -3.46 1.09 4.81 0.62 -3.14 118.16 114.61 2k22 n LYS 15 Ca 0.02 0.83 -0.22 0.00 -0.87 0.00 0.00 58.31 58.07 2k22 n LYS 15 Cb 0.41 -5.29 0.05 0.00 0.02 0.00 0.00 35.03 30.22 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 -2.74 -1.60 -3.44 1.64 5.02 -1.18 -5.01 118.16 110.85 2k22 n LYS 16 Ca -0.19 0.73 0.01 0.00 -2.02 0.00 0.00 58.31 56.84 2k22 n LYS 16 Cb 0.65 -4.82 -0.03 0.00 -0.02 0.00 0.00 35.03 30.80 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 -5.03 0.44 0.02 1.97 2.36 -1.19 -5.17 119.74 113.15 2k22 s LYS 17 Ca 0.40 1.03 0.07 0.00 -2.55 0.00 0.00 55.97 54.91 2k22 s LYS 17 Cb -0.10 0.61 -0.03 0.00 -1.05 0.00 0.00 37.83 37.26 2k22 s LYS 17 CO 0.81 -0.23 -0.18 -2.00 1.55 0.00 0.00 175.35 175.29 2k22 s GLU 18 N 2.74 2.13 0.17 4.03 -6.30 -1.26 -4.94 118.70 115.28 2k22 s GLU 18 Ca -0.00 -0.94 -0.18 0.00 -2.50 0.00 0.00 54.97 51.35 2k22 s GLU 18 Cb -0.10 -2.20 0.04 0.00 0.00 0.00 0.00 34.13 31.86 2k22 s GLU 18 CO -0.18 0.55 0.50 -2.00 0.02 0.00 0.00 175.26 174.16 2k22 s GLU 19 N -1.27 1.29 0.34 4.30 2.12 -1.26 -5.11 118.70 119.11 2k22 s GLU 19 Ca 0.14 -0.77 0.07 0.00 0.36 0.00 0.00 54.97 54.76 2k22 s GLU 19 Cb -0.10 0.52 -0.01 0.00 0.26 0.00 0.00 34.13 34.79 2k22 s GLU 19 CO 0.04 -0.54 0.45 0.95 -0.54 0.00 0.00 175.26 175.62 2k22 s THR 20 N -3.84 3.89 0.02 -1.70 -4.23 -1.26 -4.31 115.64 104.22 2k22 s THR 20 Ca 0.07 -1.06 0.04 0.00 -1.18 0.00 0.00 61.69 59.56 2k22 s THR 20 Cb -0.00 -3.34 -0.02 0.00 1.34 0.00 0.00 72.50 70.48 2k22 s THR 20 CO -0.06 -0.15 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.38 2k22 s PHE 21 N -2.21 1.16 0.10 3.99 0.08 -0.39 -4.92 117.98 115.78 2k22 s PHE 21 Ca 0.45 -0.31 0.07 0.00 0.12 0.00 0.00 56.93 57.27 2k22 s PHE 21 Cb -0.09 -0.71 -0.03 0.00 -0.57 0.00 0.00 43.02 41.62 2k22 s PHE 21 CO 0.30 0.01 -0.18 -0.80 -0.10 0.00 0.00 175.22 174.45 2k22 s ASN 22 N -0.85 2.24 0.00 1.36 -0.87 -1.26 -0.40 114.94 115.16 2k22 s ASN 22 Ca 0.02 -0.67 0.00 0.00 -1.57 0.00 0.00 52.86 50.64 2k22 s ASN 22 Cb -0.07 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 41.05 2k22 s ASN 22 CO 0.01 0.00 0.00 0.61 -2.57 0.00 0.00 177.10 175.15 2k22 n GLY 23 N 1.10 1.69 3.43 0.66 0.00 -1.26 -5.04 105.19 105.76 2k22 n GLY 23 Ca -0.20 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 3.18 -1.16 -0.61 -1.09 -1.26 -5.03 121.20 115.23 2k22 s ILE 24 Ca 0.00 -0.63 -0.03 0.00 -2.23 0.00 0.00 60.65 57.75 2k22 s ILE 24 Cb 0.00 -2.32 0.21 0.00 -1.58 0.00 0.00 42.46 38.77 2k22 s ILE 24 CO 0.00 0.54 2.15 -1.20 -1.23 0.00 0.00 174.94 175.20 2k22 n SER 25 N 3.11 7.70 -3.75 3.58 7.64 -1.26 -4.71 113.62 125.93 2k22 n SER 25 Ca -0.18 -3.40 -0.12 0.00 1.01 0.00 0.00 58.87 56.18 2k22 n SER 25 Cb 0.53 -1.27 -0.08 0.00 -1.01 0.00 0.00 64.21 62.38 2k22 n SER 25 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k22 s LYS 26 N -2.63 0.77 0.40 1.43 2.20 -1.26 -1.82 119.74 118.83 2k22 s LYS 26 Ca 0.48 -0.39 0.19 0.00 -0.36 0.00 0.00 55.97 55.89 2k22 s LYS 26 Cb 0.20 0.34 0.82 0.00 -1.51 0.00 0.00 37.83 37.68 2k22 s LYS 26 CO -0.12 -0.24 1.81 0.82 -0.36 0.00 0.00 175.35 177.26 2k22 h ILE 27 N 3.42 0.91 0.34 5.43 1.08 -1.59 -1.74 117.51 125.35 2k22 h ILE 27 Ca -0.31 -1.31 -0.01 0.00 -0.39 0.00 0.00 64.86 62.84 2k22 h ILE 27 Cb 1.19 1.78 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 2k22 h ILE 27 CO 0.44 0.33 -0.22 -1.28 -0.69 0.00 0.00 178.15 176.73 2k22 h SER 28 N 0.00 -0.55 0.11 1.72 0.87 -1.82 0.67 113.55 114.54 2k22 h SER 28 Ca -0.00 0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.37 2k22 h SER 28 Cb 0.76 0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.89 2k22 h SER 28 CO 0.04 -0.35 -0.87 -0.33 -0.53 0.00 0.00 176.83 174.80 2k22 h GLU 29 N -0.54 0.58 -0.06 2.24 4.39 -1.90 -1.62 114.58 117.66 2k22 h GLU 29 Ca -0.03 -0.55 0.02 0.00 0.34 0.00 0.00 59.36 59.14 2k22 h GLU 29 Cb 0.45 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2k22 h GLU 29 CO 0.03 1.17 -0.06 1.25 -1.16 0.00 0.00 179.01 180.23 2k22 h LEU 30 N 0.37 -0.20 -0.12 1.33 5.85 -1.22 -0.44 115.31 120.87 2k22 h LEU 30 Ca -0.07 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2k22 h LEU 30 Cb 1.49 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 2k22 h LEU 30 CO 0.16 -0.09 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.93 2k22 h LEU 31 N -0.08 0.36 -1.69 2.25 3.38 -0.93 -2.44 115.31 116.15 2k22 h LEU 31 Ca 0.05 -0.52 0.19 0.00 0.09 0.00 0.00 57.88 57.69 2k22 h LEU 31 Cb 0.15 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2k22 h LEU 31 CO -0.11 0.81 0.54 -0.33 0.09 0.00 0.00 178.44 179.43 2k22 h GLU 32 N -0.08 0.27 0.06 1.13 5.08 -1.16 0.29 114.58 120.17 2k22 h GLU 32 Ca 0.01 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 2k22 h GLU 32 Cb 0.72 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2k22 h GLU 32 CO 0.04 0.18 -1.09 -0.09 -1.00 0.00 0.00 179.01 177.05 2k22 h ARG 33 N 0.28 0.18 0.08 2.33 2.43 -0.99 -3.10 114.38 115.59 2k22 h ARG 33 Ca 0.39 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2k22 h ARG 33 Cb 1.13 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2k22 h ARG 33 CO -0.10 1.10 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.35 2k22 h LEU 34 N 0.06 -0.09 -0.71 3.80 3.38 -0.29 0.81 115.31 122.26 2k22 h LEU 34 Ca -0.08 -0.50 0.13 0.00 0.09 0.00 0.00 57.88 57.52 2k22 h LEU 34 Cb 1.81 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.49 2k22 h LEU 34 CO 0.17 0.52 0.27 0.07 0.09 0.00 0.00 178.44 179.55 2k22 h LYS 35 N -0.76 0.40 -0.01 1.13 5.09 -0.69 -1.10 116.57 120.62 2k22 h LYS 35 Ca -0.01 -0.02 -0.22 0.00 0.09 0.00 0.00 60.65 60.48 2k22 h LYS 35 Cb 0.59 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.83 2k22 h LYS 35 CO 0.02 0.27 -0.93 0.28 -2.09 0.00 0.00 179.45 177.00 2k22 h VAL 36 N 0.41 1.39 -0.41 0.07 2.07 -1.61 0.33 116.25 118.51 2k22 h VAL 36 Ca 0.39 -2.40 0.08 0.00 0.82 0.00 0.00 66.70 65.59 2k22 h VAL 36 Cb 0.57 2.38 -0.08 0.00 -1.52 0.00 0.00 31.29 32.64 2k22 h VAL 36 CO -0.39 0.72 -0.13 -0.08 0.02 0.00 0.00 177.57 177.71 2k22 h GLU 37 N 0.25 -0.04 0.09 1.57 4.81 0.42 -3.02 114.58 118.66 2k22 h GLU 37 Ca -0.08 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.80 2k22 h GLU 37 Cb 1.56 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.92 2k22 h GLU 37 CO 0.16 -0.02 -1.96 0.66 -0.73 0.00 0.00 179.01 177.12 2k22 n TYR 38 N -5.33 1.15 0.00 0.92 4.01 -0.81 -5.08 117.16 112.01 2k22 n TYR 38 Ca 0.02 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 2k22 n TYR 38 Cb 0.24 -1.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.11 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 1.91 0.53 0.26 2.72 0.00 0.11 -4.76 105.19 105.97 2k22 n GLY 39 Ca -0.29 -2.27 0.04 0.00 0.00 0.00 0.00 46.02 43.50 2k22 n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k22 h SER 40 N 0.00 0.24 -0.63 1.61 0.02 -1.91 -2.48 113.55 110.39 2k22 h SER 40 Ca 0.00 -0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.04 2k22 h SER 40 Cb 0.00 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 62.39 2k22 h SER 40 CO 0.00 0.28 0.15 -0.33 -1.14 0.00 0.00 176.83 175.79 2k22 h GLU 41 N 0.26 0.27 -0.01 3.45 5.08 -1.89 0.23 114.58 121.96 2k22 h GLU 41 Ca 0.06 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2k22 h GLU 41 Cb 0.18 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.37 2k22 h GLU 41 CO 0.00 0.18 -0.33 0.35 -1.00 0.00 0.00 179.01 178.21 2k22 h PHE 42 N 0.28 0.36 -0.65 4.33 3.57 -1.78 -2.20 116.94 120.86 2k22 h PHE 42 Ca 0.34 -0.19 0.11 0.00 3.53 0.00 0.00 57.97 61.76 2k22 h PHE 42 Cb 0.51 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.13 2k22 h PHE 42 CO -0.24 0.98 0.22 1.15 -2.23 0.00 0.00 178.31 178.18 2k22 h THR 43 N -0.35 0.70 0.00 4.41 2.02 -1.00 0.33 112.91 119.02 2k22 h THR 43 Ca -0.04 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 2k22 h THR 43 Cb 1.06 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2k22 h THR 43 CO 0.07 0.07 -0.47 0.11 0.37 0.00 0.00 175.52 175.67 2k22 h LYS 44 N 0.38 0.00 -0.14 6.66 1.79 -0.63 0.24 116.57 124.86 2k22 h LYS 44 Ca 0.34 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.60 2k22 h LYS 44 Cb 0.47 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.13 2k22 h LYS 44 CO -0.36 0.47 -0.72 0.37 -1.08 0.00 0.00 179.45 178.13 2k22 h GLN 45 N 0.00 0.74 -0.40 3.15 -0.00 -0.29 -2.81 115.11 115.51 2k22 h GLN 45 Ca -0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 58.65 58.04 2k22 h GLN 45 Cb 1.07 0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.68 2k22 h GLN 45 CO 0.06 1.22 0.00 0.00 0.00 0.00 0.00 178.83 180.11 2k22 n MET 46 N -4.00 2.53 -2.77 1.69 0.00 0.93 -4.49 117.12 111.01 2k22 n MET 46 Ca -0.08 -2.31 0.02 0.00 0.00 0.00 0.00 57.70 55.33 2k22 n MET 46 Cb 0.72 -1.52 0.01 0.00 0.00 0.00 0.00 33.22 32.42 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 -1.49 -0.40 -0.95 3.17 5.04 0.83 -4.67 117.35 118.89 2k22 s TYR 47 Ca 0.39 0.05 -0.20 0.00 -2.44 0.00 0.00 57.07 54.88 2k22 s TYR 47 Cb 0.23 0.07 0.12 0.00 0.35 0.00 0.00 41.96 42.73 2k22 s TYR 47 CO 0.32 -0.27 1.19 0.34 -1.34 0.00 0.00 175.55 175.79 2k22 s ASP 48 N 1.93 6.60 0.00 4.32 2.15 -0.01 -3.63 116.67 128.03 2k22 s ASP 48 Ca 0.15 -1.93 0.00 0.00 0.43 0.00 0.00 52.55 51.20 2k22 s ASP 48 Cb 0.03 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2k22 s ASP 48 CO -0.15 -1.15 0.00 0.61 -0.17 0.00 0.00 175.17 174.32 2k22 n GLY 49 N 5.76 1.61 0.00 2.66 0.00 -1.26 -3.43 105.19 110.53 2k22 n GLY 49 Ca 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 4.67 0.24 -3.74 1.61 3.02 -1.26 -5.07 115.26 114.73 2k22 n ASN 50 Ca 0.00 -0.60 -0.10 0.00 -0.03 0.00 0.00 54.58 53.85 2k22 n ASN 50 Cb 0.00 0.71 -0.04 0.00 -0.61 0.00 0.00 39.78 39.84 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 -0.71 -0.21 0.75 6.41 4.22 -1.22 -5.12 114.94 119.06 2k22 s ASN 51 Ca 0.00 -0.49 -0.16 0.00 -2.14 0.00 0.00 52.86 50.07 2k22 s ASN 51 Cb 0.00 0.53 -0.04 0.00 1.28 0.00 0.00 41.25 43.02 2k22 s ASN 51 CO 0.00 -0.97 0.43 0.18 -2.04 0.00 0.00 177.10 174.70 2k22 n LEU 52 N -0.29 0.26 0.00 3.54 7.99 -1.26 -0.83 117.00 126.40 2k22 n LEU 52 Ca -0.11 0.55 -0.01 0.00 -0.01 0.00 0.00 56.01 56.43 2k22 n LEU 52 Cb 0.63 -1.18 -0.00 0.00 -0.11 0.00 0.00 43.42 42.75 2k22 n LEU 52 CO 0.18 -3.35 0.05 0.15 -1.51 0.00 0.00 177.39 172.90 2k22 h PHE 53 N -0.50 -0.06 0.00 -1.77 3.57 -1.79 -3.42 116.94 112.98 2k22 h PHE 53 Ca -0.45 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 60.98 2k22 h PHE 53 Cb 1.34 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 2k22 h PHE 53 CO 0.34 -0.04 -0.58 -0.22 -2.23 0.00 0.00 178.31 175.59 2k22 h LYS 54 N -0.52 0.00 0.00 1.11 1.63 -1.93 -3.49 116.57 113.37 2k22 h LYS 54 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2k22 h LYS 54 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2k22 h LYS 54 CO 0.01 0.40 0.00 0.09 -3.45 0.00 0.00 179.45 176.50 2k22 n ASN 55 N -4.59 0.00 -4.77 4.20 5.03 -1.26 -5.00 115.26 108.86 2k22 n ASN 55 Ca -0.13 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.91 2k22 n ASN 55 Cb 0.36 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.10 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 2.63 -0.25 2.41 1.01 -1.26 -3.63 120.40 121.31 2k22 s VAL 56 Ca 0.00 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.63 2k22 s VAL 56 Cb 0.00 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 33.04 2k22 s VAL 56 CO 0.00 0.15 -0.05 -0.63 0.00 0.00 0.00 175.10 174.57 2k22 s ILE 57 N -1.13 1.70 -0.04 2.22 1.01 0.42 -4.90 121.20 120.47 2k22 s ILE 57 Ca 0.49 -1.42 0.06 0.00 0.00 0.00 0.00 60.65 59.78 2k22 s ILE 57 Cb -0.41 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 2k22 s ILE 57 CO 0.54 -0.15 -0.22 -0.51 0.00 0.00 0.00 174.94 174.60 2k22 s ILE 58 N 1.30 1.79 0.27 2.92 2.07 -1.26 -1.10 121.20 127.20 2k22 s ILE 58 Ca -0.04 -0.93 0.10 0.00 -1.41 0.00 0.00 60.65 58.36 2k22 s ILE 58 Cb -0.19 -1.52 -0.04 0.00 0.13 0.00 0.00 42.46 40.84 2k22 s ILE 58 CO -0.07 0.50 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.67 2k22 s LEU 59 N -0.17 3.08 -0.08 8.50 1.43 -1.10 -4.90 118.68 125.44 2k22 s LEU 59 Ca -0.01 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.34 2k22 s LEU 59 Cb -0.12 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.54 2k22 s LEU 59 CO 0.02 -0.00 0.04 -0.69 0.23 0.00 0.00 176.35 175.95 2k22 s VAL 60 N -2.37 0.12 -1.16 -1.59 1.01 -1.25 -2.84 120.40 112.32 2k22 s VAL 60 Ca 0.31 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 2k22 s VAL 60 Cb -0.06 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.93 2k22 s VAL 60 CO 0.19 0.14 1.01 -3.20 0.00 0.00 0.00 175.10 173.24 2k22 n ASN 61 N 5.22 -5.16 -3.79 3.32 4.05 -0.67 -2.43 115.26 115.80 2k22 n ASN 61 Ca -0.05 -0.48 -0.29 0.00 0.45 0.00 0.00 54.58 54.20 2k22 n ASN 61 Cb 0.50 -4.48 0.02 0.00 1.23 0.00 0.00 39.78 37.04 2k22 n ASN 61 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k22 n GLY 62 N -1.70 -0.49 3.23 8.20 0.00 -1.26 -4.92 105.19 108.25 2k22 n GLY 62 Ca -0.04 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.15 -0.28 0.07 1.61 2.47 -1.02 -5.13 114.94 109.51 2k22 s ASN 63 Ca 0.61 0.32 -0.36 0.00 0.42 0.00 0.00 52.86 53.85 2k22 s ASN 63 Cb -0.31 1.29 -0.15 0.00 -1.45 0.00 0.00 41.25 40.64 2k22 s ASN 63 CO 0.75 -0.05 1.52 -3.20 -3.72 0.00 0.00 177.10 172.39 2k22 n ASN 64 N 4.93 2.46 0.06 -4.21 2.85 -1.26 -3.76 115.26 116.33 2k22 n ASN 64 Ca -0.08 1.09 0.19 0.00 -0.11 0.00 0.00 54.58 55.67 2k22 n ASN 64 Cb 0.54 -1.30 0.71 0.00 1.24 0.00 0.00 39.78 40.97 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 3.80 0.69 -0.06 -1.44 3.07 -1.83 0.74 117.51 122.49 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 1.30 0.77 -0.00 0.00 -0.27 0.00 0.00 36.82 38.61 2k22 h ILE 65 CO 0.85 0.00 0.06 0.71 -1.05 0.00 0.00 178.15 178.72 2k22 h THR 66 N 0.00 0.66 -0.79 0.16 1.35 -1.85 -1.43 112.91 111.01 2k22 h THR 66 Ca 0.20 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.23 2k22 h THR 66 Cb 0.84 0.96 -0.11 0.00 -1.73 0.00 0.00 68.15 68.11 2k22 h THR 66 CO -0.00 0.00 0.26 -1.28 -0.25 0.00 0.00 175.52 174.25 2k22 h SER 67 N 0.00 0.16 0.00 5.36 0.87 -1.19 -3.40 113.55 115.34 2k22 h SER 67 Ca 0.03 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2k22 h SER 67 Cb 0.15 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2k22 h SER 67 CO -0.00 0.01 0.00 1.15 -0.53 0.00 0.00 176.83 177.46 2k22 n MET 68 N -5.09 0.00 -4.92 2.24 -0.00 -0.89 -5.08 117.12 103.37 2k22 n MET 68 Ca 0.16 0.00 -0.28 0.00 -0.00 0.00 0.00 57.70 57.58 2k22 n MET 68 Cb 0.50 0.00 -0.17 0.00 -0.00 0.00 0.00 33.22 33.55 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 -0.48 2.36 0.00 3.17 1.02 -0.59 -5.06 119.74 120.17 2k22 s LYS 69 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.33 2k22 s LYS 69 Cb 0.00 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 2k22 s LYS 69 CO 0.00 0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 2k22 n GLY 70 N 3.59 -1.96 0.15 -3.33 0.00 -1.22 -2.95 105.19 99.47 2k22 n GLY 70 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.02 0.99 5.85 -1.96 -2.94 115.31 117.23 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 -2.48 0.07 -4.71 1.25 8.00 -1.26 -3.08 116.55 114.33 2k22 n ASP 72 Ca 0.04 0.51 -0.42 0.00 0.71 0.00 0.00 54.79 55.63 2k22 n ASP 72 Cb 0.39 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 2k22 n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2k22 s THR 73 N -3.02 2.25 0.66 -3.53 2.01 -1.11 -4.88 115.64 108.02 2k22 s THR 73 Ca 0.11 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.11 2k22 s THR 73 Cb 0.15 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.61 2k22 s THR 73 CO 0.44 0.01 1.03 -1.83 -0.69 0.00 0.00 174.62 173.58 2k22 s GLU 74 N 1.57 2.96 -0.15 4.92 -1.05 -1.26 -2.40 118.70 123.28 2k22 s GLU 74 Ca 0.76 0.35 -0.06 0.00 -0.15 0.00 0.00 54.97 55.86 2k22 s GLU 74 Cb -0.48 -2.11 0.07 0.00 -0.44 0.00 0.00 34.13 31.17 2k22 s GLU 74 CO 0.33 -0.88 0.33 0.96 0.95 0.00 0.00 175.26 176.95 2k22 s ILE 75 N -3.22 -0.29 0.59 1.83 -4.36 -0.76 -4.83 121.20 110.16 2k22 s ILE 75 Ca 0.56 0.18 0.03 0.00 -0.26 0.00 0.00 60.65 61.16 2k22 s ILE 75 Cb -0.11 -0.53 0.07 0.00 1.25 0.00 0.00 42.46 43.15 2k22 s ILE 75 CO 0.50 0.07 0.82 -0.54 0.24 0.00 0.00 174.94 176.03 2k22 s LYS 76 N 1.96 2.26 0.62 0.37 1.02 -1.26 -4.30 119.74 120.41 2k22 s LYS 76 Ca -0.04 -1.11 0.35 0.00 0.02 0.00 0.00 55.97 55.18 2k22 s LYS 76 Cb -0.11 -2.51 2.06 0.00 -0.52 0.00 0.00 37.83 36.75 2k22 s LYS 76 CO -0.11 -0.92 2.30 0.38 -0.92 0.00 0.00 175.35 176.09 2k22 h ASP 77 N -0.02 0.00 0.51 2.83 2.03 -2.01 -1.28 116.42 118.47 2k22 h ASP 77 Ca -0.38 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 55.66 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 0.45 0.00 -1.18 0.44 -1.03 0.00 0.00 179.24 177.92 2k22 h ASP 78 N 0.00 0.50 -3.29 4.15 3.32 -1.94 -3.43 116.42 115.74 2k22 h ASP 78 Ca -0.00 -0.50 -0.53 0.00 0.02 0.00 0.00 57.03 56.02 2k22 h ASP 78 Cb 0.00 -0.16 0.22 0.00 0.22 0.00 0.00 39.33 39.61 2k22 h ASP 78 CO 0.00 1.36 -0.67 0.47 -1.72 0.00 0.00 179.24 178.68 2k22 n ASP 79 N -3.62 -2.34 -3.76 6.45 9.92 -0.48 -5.03 116.55 117.69 2k22 n ASP 79 Ca -0.09 0.31 -0.13 0.00 -0.53 0.00 0.00 54.79 54.35 2k22 n ASP 79 Cb 0.98 -1.17 -0.11 0.00 -0.64 0.00 0.00 41.12 40.17 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 -3.53 0.32 -0.05 -1.24 -2.85 -1.26 -4.52 119.74 106.62 2k22 s LYS 80 Ca 0.56 0.44 0.03 0.00 -1.00 0.00 0.00 55.97 56.00 2k22 s LYS 80 Cb -0.21 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.65 2k22 s LYS 80 CO 0.68 -0.06 -0.12 0.42 0.10 0.00 0.00 175.35 176.37 2k22 s ILE 81 N 0.38 3.29 -0.02 3.79 1.09 0.72 -1.68 121.20 128.76 2k22 s ILE 81 Ca -0.02 -0.67 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 2k22 s ILE 81 Cb -0.04 -2.32 0.02 0.00 -1.06 0.00 0.00 42.46 39.07 2k22 s ILE 81 CO -0.02 0.57 -0.00 -1.81 -0.10 0.00 0.00 174.94 173.58 2k22 s ASP 82 N -0.83 0.33 -0.26 3.58 1.01 -1.13 -2.48 116.67 116.89 2k22 s ASP 82 Ca 0.12 -0.02 -0.10 0.00 0.71 0.00 0.00 52.55 53.26 2k22 s ASP 82 Cb -0.11 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.63 2k22 s ASP 82 CO 0.01 -0.07 0.15 -0.22 0.21 0.00 0.00 175.17 175.26 2k22 s LEU 83 N 0.74 3.94 -0.07 1.23 1.98 -1.07 -2.70 118.68 122.73 2k22 s LEU 83 Ca -0.07 -0.00 0.04 0.00 -2.89 0.00 0.00 54.13 51.20 2k22 s LEU 83 Cb -0.10 -2.07 -0.02 0.00 0.66 0.00 0.00 46.19 44.66 2k22 s LEU 83 CO -0.01 0.00 -0.18 0.12 -1.89 0.00 0.00 176.35 174.39 2k22 s PHE 84 N 1.44 2.63 0.92 5.38 5.36 -0.26 -4.22 117.98 129.23 2k22 s PHE 84 Ca 0.07 -0.48 -0.12 0.00 -0.96 0.00 0.00 56.93 55.44 2k22 s PHE 84 Cb -0.15 -1.67 0.14 0.00 -0.34 0.00 0.00 43.02 41.00 2k22 s PHE 84 CO 0.07 -0.06 1.09 -1.25 -1.46 0.00 0.00 175.22 173.62 2k22 s PRO 85 N -0.25 1.09 0.57 10.12 0.04 -1.26 -0.44 135.00 144.87 2k22 s PRO 85 Ca 0.00 0.76 -0.18 0.00 0.04 0.00 0.00 61.00 61.62 2k22 s PRO 85 Cb -0.13 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2k22 s PRO 85 CO 0.03 -2.34 1.13 -1.25 0.04 0.00 0.00 177.00 174.61 2k22 s PRO 86 N -4.94 3.22 0.53 0.56 0.04 -1.24 -4.41 135.00 128.77 2k22 s PRO 86 Ca 0.64 1.56 0.23 0.00 0.04 0.00 0.00 61.00 63.47 2k22 s PRO 86 Cb -0.18 -1.99 1.38 0.00 0.04 0.00 0.00 34.50 33.75 2k22 s PRO 86 CO 0.57 -0.94 2.03 -0.39 0.04 0.00 0.00 177.00 178.31 2k22 h VAL 87 N 0.92 0.78 -1.29 -0.36 -1.51 -1.95 -1.22 116.25 111.62 2k22 h VAL 87 Ca -0.49 0.00 -0.67 0.00 -1.23 0.00 0.00 66.70 64.31 2k22 h VAL 87 Cb 1.26 0.79 -0.33 0.00 -2.13 0.00 0.00 31.29 30.88 2k22 h VAL 87 CO 0.56 0.00 0.36 0.00 -1.23 0.00 0.00 177.57 177.26 2k22 n ALA 88 N -2.61 5.95 -1.00 5.19 0.00 -1.26 -4.86 120.51 121.92 2k22 n ALA 88 Ca 0.07 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.68 2k22 n ALA 88 Cb 0.49 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.71 -2.86 0.00 0.00 0.00 -0.46 -5.08 105.19 96.07 2k22 n GLY 89 Ca 0.53 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.77 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93