#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 2.00 -0.31 1.12 -7.23 0.82 -3.92 120.40 112.89 2k22 s VAL 2 Ca 0.00 -0.99 -0.08 0.00 -1.81 0.00 0.00 61.98 59.10 2k22 s VAL 2 Cb 0.00 -1.72 0.01 0.00 0.56 0.00 0.00 36.38 35.23 2k22 s VAL 2 CO 0.00 0.55 0.10 -0.89 -0.31 0.00 0.00 175.10 174.55 2k22 s THR 3 N 0.25 4.10 -0.06 5.32 2.01 -1.26 -2.13 115.64 123.87 2k22 s THR 3 Ca -0.16 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.19 2k22 s THR 3 Cb -0.17 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 2k22 s THR 3 CO 0.08 0.04 -0.16 0.68 -0.69 0.00 0.00 174.62 174.56 2k22 s VAL 4 N 1.51 2.90 0.10 3.82 -7.23 -1.19 -0.72 120.40 119.60 2k22 s VAL 4 Ca 0.03 -0.78 0.07 0.00 -1.81 0.00 0.00 61.98 59.49 2k22 s VAL 4 Cb -0.17 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 2k22 s VAL 4 CO 0.03 0.58 -0.08 -0.13 -0.31 0.00 0.00 175.10 175.19 2k22 s ARG 5 N -0.57 2.20 -0.02 4.82 0.52 -1.19 -3.53 118.95 121.18 2k22 s ARG 5 Ca 0.08 -1.00 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 2k22 s ARG 5 Cb -0.11 -2.35 0.03 0.00 0.52 0.00 0.00 34.95 33.04 2k22 s ARG 5 CO 0.01 0.51 0.02 0.71 0.02 0.00 0.00 175.30 176.57 2k22 s TYR 6 N -1.24 0.12 0.77 -0.53 2.02 -1.06 -3.64 117.35 113.78 2k22 s TYR 6 Ca 0.22 0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 56.93 2k22 s TYR 6 Cb -0.11 -0.28 0.17 0.00 -0.40 0.00 0.00 41.96 41.33 2k22 s TYR 6 CO 0.15 -0.10 1.05 0.66 -1.57 0.00 0.00 175.55 175.74 2k22 n TYR 7 N 4.12 -3.46 0.27 2.71 4.02 -1.26 -4.80 117.16 118.75 2k22 n TYR 7 Ca -0.27 -1.35 0.18 0.00 -0.01 0.00 0.00 57.90 56.45 2k22 n TYR 7 Cb 0.51 -0.79 0.91 0.00 -0.02 0.00 0.00 39.34 39.95 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 -1.17 1.51 0.00 -0.72 0.00 -1.98 0.97 119.26 117.86 2k22 h ALA 8 Ca -0.34 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2k22 h ALA 8 Cb 1.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2k22 h ALA 8 CO 0.30 -0.26 -0.27 1.79 0.00 0.00 0.00 179.25 180.81 2k22 h THR 9 N 0.00 0.97 -0.43 0.00 1.35 -2.01 -2.48 112.91 110.30 2k22 h THR 9 Ca 0.05 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2k22 h THR 9 Cb 0.46 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2k22 h THR 9 CO -0.00 0.27 0.00 0.18 -0.25 0.00 0.00 175.52 175.72 2k22 n LEU 10 N -3.88 3.50 0.40 3.87 4.32 0.30 -4.64 117.00 120.87 2k22 n LEU 10 Ca -0.02 -2.23 -0.19 0.00 -0.02 0.00 0.00 56.01 53.55 2k22 n LEU 10 Cb 0.36 -0.37 -0.09 0.00 -1.62 0.00 0.00 43.42 41.69 2k22 n LEU 10 CO 0.35 0.77 0.61 -0.09 -1.22 0.00 0.00 177.39 177.82 2k22 h ARG 11 N 2.60 -0.98 0.00 3.23 9.65 -1.10 0.27 114.38 128.04 2k22 h ARG 11 Ca 0.00 0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2k22 h ARG 11 Cb 0.99 0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 2k22 h ARG 11 CO 0.07 -0.66 0.00 -0.35 2.80 0.00 0.00 179.97 181.83 2k22 n PRO 12 N -5.54 0.10 -0.01 0.20 -0.04 -1.26 -0.85 135.00 127.59 2k22 n PRO 12 Ca -0.14 0.20 -0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2k22 n PRO 12 Cb 0.42 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.40 0.22 0.42 0.52 5.41 -0.91 -4.49 119.36 119.12 2k22 n ILE 13 Ca 0.05 0.45 0.10 0.00 1.00 0.00 0.00 62.75 64.35 2k22 n ILE 13 Cb 0.15 -1.63 0.41 0.00 -0.71 0.00 0.00 39.64 37.85 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 -2.72 0.94 -2.87 1.39 5.66 0.89 -4.86 114.28 112.71 2k22 n THR 14 Ca -0.02 0.26 -0.18 0.00 -3.05 0.00 0.00 64.05 61.06 2k22 n THR 14 Cb 0.06 -1.12 0.00 0.00 -1.55 0.00 0.00 70.33 67.72 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 -1.91 -3.09 -1.04 1.09 4.76 -0.03 -4.86 118.16 113.07 2k22 n LYS 15 Ca 0.03 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2k22 n LYS 15 Cb 0.19 -5.32 0.00 0.00 -1.84 0.00 0.00 35.03 28.06 2k22 n LYS 15 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2k22 n LYS 16 N -3.37 0.00 0.00 1.97 3.00 -1.25 -5.06 118.16 113.46 2k22 n LYS 16 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2k22 n LYS 16 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 2k22 n LYS 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2k22 n LYS 17 N 0.00 0.00 -3.73 1.64 4.81 -1.26 -4.65 118.16 114.98 2k22 n LYS 17 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 2k22 n LYS 17 Cb 0.00 -0.17 -0.09 0.00 0.02 0.00 0.00 35.03 34.79 2k22 n LYS 17 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2k22 s GLU 18 N -0.79 0.57 0.18 1.64 2.12 -1.26 -2.57 118.70 118.58 2k22 s GLU 18 Ca 0.00 0.35 -0.18 0.00 0.36 0.00 0.00 54.97 55.49 2k22 s GLU 18 Cb 0.00 0.27 0.04 0.00 0.26 0.00 0.00 34.13 34.70 2k22 s GLU 18 CO 0.00 -0.11 0.52 -2.00 -0.54 0.00 0.00 175.26 173.13 2k22 s GLU 19 N -0.29 1.31 0.06 4.30 2.12 -1.23 -5.07 118.70 119.90 2k22 s GLU 19 Ca -0.04 -0.76 0.09 0.00 0.36 0.00 0.00 54.97 54.62 2k22 s GLU 19 Cb -0.03 0.53 -0.03 0.00 0.26 0.00 0.00 34.13 34.85 2k22 s GLU 19 CO 0.02 -0.55 -0.25 0.95 -0.54 0.00 0.00 175.26 174.89 2k22 s THR 20 N -3.84 2.01 0.01 -1.70 -4.23 -1.26 -3.17 115.64 103.46 2k22 s THR 20 Ca 0.06 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2k22 s THR 20 Cb -0.01 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 72.09 2k22 s THR 20 CO -0.06 0.26 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.88 2k22 s PHE 21 N -0.86 0.27 0.30 3.99 0.08 -0.91 -4.93 117.98 115.92 2k22 s PHE 21 Ca 0.11 -0.21 0.10 0.00 0.12 0.00 0.00 56.93 57.05 2k22 s PHE 21 Cb -0.10 -0.17 -0.05 0.00 -0.57 0.00 0.00 43.02 42.13 2k22 s PHE 21 CO 0.03 -0.05 -0.05 0.54 -0.10 0.00 0.00 175.22 175.58 2k22 s ASN 22 N -0.56 4.14 0.00 1.36 4.22 -1.26 -0.12 114.94 122.72 2k22 s ASN 22 Ca -0.04 -0.89 0.00 0.00 -2.14 0.00 0.00 52.86 49.79 2k22 s ASN 22 Cb -0.04 -0.58 0.00 0.00 1.28 0.00 0.00 41.25 41.91 2k22 s ASN 22 CO -0.00 -0.08 0.00 0.61 -2.04 0.00 0.00 177.10 175.59 2k22 n GLY 23 N -0.84 2.49 3.56 0.45 0.00 -1.26 -4.96 105.19 104.63 2k22 n GLY 23 Ca -0.05 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 3.32 -0.58 -0.61 2.07 -1.26 -5.04 121.20 119.09 2k22 s ILE 24 Ca 0.00 -1.23 0.03 0.00 -1.41 0.00 0.00 60.65 58.04 2k22 s ILE 24 Cb 0.00 -2.53 0.38 0.00 0.13 0.00 0.00 42.46 40.44 2k22 s ILE 24 CO 0.00 0.15 1.26 -1.54 -1.91 0.00 0.00 174.94 172.90 2k22 n SER 25 N 0.85 5.28 -3.67 4.50 3.41 -1.26 -4.75 113.62 117.98 2k22 n SER 25 Ca -0.14 -3.73 -0.12 0.00 -0.26 0.00 0.00 58.87 54.63 2k22 n SER 25 Cb 0.52 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.95 0.18 4.33 3.01 -1.26 -2.20 119.74 121.09 2k22 s LYS 26 Ca 0.48 -0.51 0.08 0.00 -1.01 0.00 0.00 55.97 55.01 2k22 s LYS 26 Cb 0.36 0.42 0.00 0.00 -1.01 0.00 0.00 37.83 37.60 2k22 s LYS 26 CO -0.21 -0.34 1.40 0.82 0.51 0.00 0.00 175.35 177.54 2k22 h ILE 27 N 2.82 1.61 0.05 2.17 1.08 -1.69 -2.32 117.51 121.23 2k22 h ILE 27 Ca -0.32 -2.92 0.03 0.00 -0.39 0.00 0.00 64.86 61.25 2k22 h ILE 27 Cb 1.22 2.58 -0.04 0.00 -3.07 0.00 0.00 36.82 37.51 2k22 h ILE 27 CO 0.45 0.84 -0.30 -1.28 -0.69 0.00 0.00 178.15 177.17 2k22 h SER 28 N 0.00 -0.87 -0.02 1.72 0.87 -1.80 0.28 113.55 113.73 2k22 h SER 28 Ca -0.01 0.11 -0.23 0.00 -1.23 0.00 0.00 61.79 60.43 2k22 h SER 28 Cb 1.52 0.34 0.02 0.00 -0.44 0.00 0.00 62.40 63.83 2k22 h SER 28 CO 0.11 -0.37 -0.88 -0.08 -0.53 0.00 0.00 176.83 175.08 2k22 h GLU 29 N -0.48 0.63 -0.21 2.24 4.57 -1.90 -1.36 114.58 118.07 2k22 h GLU 29 Ca 0.05 -0.65 0.05 0.00 -1.18 0.00 0.00 59.36 57.63 2k22 h GLU 29 Cb 0.54 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 29.25 2k22 h GLU 29 CO -0.22 1.25 -0.12 1.25 -1.18 0.00 0.00 179.01 180.00 2k22 h LEU 30 N 0.27 -0.39 -0.05 1.64 7.12 -1.24 0.26 115.31 122.91 2k22 h LEU 30 Ca -0.10 0.09 -0.04 0.00 0.13 0.00 0.00 57.88 57.96 2k22 h LEU 30 Cb 1.54 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.88 2k22 h LEU 30 CO 0.17 -0.15 -0.11 -0.07 -0.13 0.00 0.00 178.44 178.15 2k22 h LEU 31 N -0.10 0.19 -1.40 2.25 3.38 -0.53 -2.08 115.31 117.01 2k22 h LEU 31 Ca 0.12 -0.57 0.16 0.00 0.09 0.00 0.00 57.88 57.68 2k22 h LEU 31 Cb 0.28 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2k22 h LEU 31 CO -0.27 0.73 0.57 -0.08 0.09 0.00 0.00 178.44 179.47 2k22 h GLU 32 N -0.34 0.54 0.01 1.13 4.81 -1.04 0.33 114.58 120.02 2k22 h GLU 32 Ca 0.00 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 2k22 h GLU 32 Cb 0.70 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2k22 h GLU 32 CO 0.02 0.36 -0.92 0.00 -0.73 0.00 0.00 179.01 177.74 2k22 h ARG 33 N 0.56 0.06 -0.09 1.92 2.47 -0.46 -2.87 114.38 115.97 2k22 h ARG 33 Ca 0.44 -0.08 -0.24 0.00 -1.26 0.00 0.00 59.98 58.83 2k22 h ARG 33 Cb 0.88 0.03 0.02 0.00 -1.65 0.00 0.00 29.97 29.24 2k22 h ARG 33 CO -0.19 0.94 -0.90 -0.07 0.56 0.00 0.00 179.97 180.31 2k22 h LEU 34 N 0.03 0.94 -0.80 3.04 3.38 -0.12 -1.10 115.31 120.68 2k22 h LEU 34 Ca -0.03 -0.68 -0.09 0.00 0.09 0.00 0.00 57.88 57.18 2k22 h LEU 34 Cb 1.61 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2k22 h LEU 34 CO 0.13 1.48 -0.08 0.07 0.09 0.00 0.00 178.44 180.12 2k22 h LYS 35 N 0.48 0.82 0.02 1.13 2.10 -0.53 -0.67 116.57 119.91 2k22 h LYS 35 Ca -0.09 -0.27 -0.23 0.00 -2.00 0.00 0.00 60.65 58.07 2k22 h LYS 35 Cb 1.54 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.80 2k22 h LYS 35 CO 0.18 0.88 -0.98 -0.24 -2.00 0.00 0.00 179.45 177.29 2k22 h VAL 36 N 0.75 1.41 0.05 0.07 3.04 -1.53 0.38 116.25 120.43 2k22 h VAL 36 Ca 0.13 -2.53 -0.00 0.00 -1.01 0.00 0.00 66.70 63.29 2k22 h VAL 36 Cb 0.57 2.49 0.00 0.00 -2.01 0.00 0.00 31.29 32.34 2k22 h VAL 36 CO 0.03 0.75 -0.02 -0.08 -1.01 0.00 0.00 177.57 177.24 2k22 h GLU 37 N 0.21 -0.06 0.15 4.17 4.81 -1.04 -3.30 114.58 119.52 2k22 h GLU 37 Ca -0.09 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.85 2k22 h GLU 37 Cb 1.62 0.01 0.02 0.00 0.63 0.00 0.00 28.75 31.04 2k22 h GLU 37 CO 0.17 0.33 -1.29 1.88 -0.73 0.00 0.00 179.01 179.37 2k22 h TYR 38 N -0.47 0.80 0.00 0.92 0.05 -1.23 -3.51 116.97 113.54 2k22 h TYR 38 Ca -0.01 -0.55 0.00 0.00 0.05 0.00 0.00 58.73 58.23 2k22 h TYR 38 Cb 0.43 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.12 2k22 h TYR 38 CO 0.06 1.41 0.00 0.41 -1.05 0.00 0.00 178.16 178.99 2k22 n GLY 39 N 1.49 1.92 0.24 3.88 0.00 0.13 -4.77 105.19 108.08 2k22 n GLY 39 Ca -0.12 -2.14 0.02 0.00 0.00 0.00 0.00 46.02 43.77 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 0.24 -0.35 1.61 0.87 -1.91 -2.34 113.55 111.67 2k22 h SER 40 Ca 0.00 -0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.61 2k22 h SER 40 Cb 0.00 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2k22 h SER 40 CO 0.00 0.42 0.25 -0.08 -0.53 0.00 0.00 176.83 176.89 2k22 h GLU 41 N 0.23 0.00 0.13 2.24 4.57 -1.89 -0.23 114.58 119.63 2k22 h GLU 41 Ca 0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2k22 h GLU 41 Cb 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2k22 h GLU 41 CO 0.03 0.00 -0.06 0.35 -1.18 0.00 0.00 179.01 178.14 2k22 h PHE 42 N 0.00 -0.16 -0.87 0.92 3.57 -1.72 -1.22 116.94 117.46 2k22 h PHE 42 Ca 0.17 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.70 2k22 h PHE 42 Cb 0.67 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 2k22 h PHE 42 CO 0.00 0.31 0.57 1.79 -2.23 0.00 0.00 178.31 178.75 2k22 h THR 43 N -0.83 1.13 0.00 4.41 1.35 -1.46 0.21 112.91 117.72 2k22 h THR 43 Ca -0.02 -0.37 -0.10 0.00 -0.55 0.00 0.00 66.41 65.38 2k22 h THR 43 Cb 0.55 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.93 2k22 h THR 43 CO 0.03 0.19 -0.47 0.11 -0.25 0.00 0.00 175.52 175.13 2k22 h LYS 44 N 1.07 0.00 0.20 4.72 1.79 -1.12 0.28 116.57 123.51 2k22 h LYS 44 Ca 0.35 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.53 2k22 h LYS 44 Cb 0.05 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.73 2k22 h LYS 44 CO -0.11 0.47 -1.26 0.37 -1.08 0.00 0.00 179.45 177.84 2k22 h GLN 45 N 0.00 0.50 -0.36 3.15 5.75 0.07 -3.29 115.11 120.93 2k22 h GLN 45 Ca -0.00 -0.81 0.00 0.00 -0.15 0.00 0.00 58.65 57.69 2k22 h GLN 45 Cb 1.11 0.29 0.00 0.00 1.07 0.00 0.00 27.48 29.95 2k22 h GLN 45 CO 0.06 1.38 0.00 -1.33 -2.65 0.00 0.00 178.83 176.29 2k22 n MET 46 N -3.84 2.33 -3.14 1.69 2.81 0.60 -4.37 117.12 113.19 2k22 n MET 46 Ca -0.16 -2.01 0.04 0.00 -1.81 0.00 0.00 57.70 53.77 2k22 n MET 46 Cb 1.01 -1.48 -0.00 0.00 -0.71 0.00 0.00 33.22 32.04 2k22 n MET 46 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2k22 s TYR 47 N -1.53 -1.35 -0.77 2.03 5.04 0.98 -4.66 117.35 117.08 2k22 s TYR 47 Ca 0.37 0.76 -0.10 0.00 -2.44 0.00 0.00 57.07 55.66 2k22 s TYR 47 Cb 0.21 0.23 0.20 0.00 0.35 0.00 0.00 41.96 42.96 2k22 s TYR 47 CO 0.30 -0.80 0.67 0.34 -1.34 0.00 0.00 175.55 174.73 2k22 s ASP 48 N 2.82 6.29 0.00 4.32 2.15 -0.34 -3.67 116.67 128.25 2k22 s ASP 48 Ca 0.16 -2.77 0.00 0.00 0.43 0.00 0.00 52.55 50.37 2k22 s ASP 48 Cb -0.07 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 2k22 s ASP 48 CO -0.24 -0.50 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 2k22 n GLY 49 N 3.77 1.58 0.00 2.66 0.00 -1.26 -3.44 105.19 108.51 2k22 n GLY 49 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 4.52 0.58 -3.75 1.61 4.13 -1.26 -5.07 115.26 116.01 2k22 n ASN 50 Ca 0.00 -0.86 -0.10 0.00 1.68 0.00 0.00 54.58 55.30 2k22 n ASN 50 Cb 0.00 0.16 -0.04 0.00 -1.54 0.00 0.00 39.78 38.35 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 -0.16 -0.20 0.88 6.41 0.01 -1.22 -5.15 114.94 115.51 2k22 s ASN 51 Ca 0.00 -0.51 -0.14 0.00 -0.71 0.00 0.00 52.86 51.50 2k22 s ASN 51 Cb 0.00 0.53 -0.01 0.00 0.41 0.00 0.00 41.25 42.18 2k22 s ASN 51 CO 0.00 -0.98 0.28 0.18 -1.51 0.00 0.00 177.10 175.07 2k22 n LEU 52 N -0.29 -0.72 0.00 0.60 7.99 -1.26 -1.19 117.00 122.13 2k22 n LEU 52 Ca -0.11 0.39 -0.01 0.00 -0.01 0.00 0.00 56.01 56.27 2k22 n LEU 52 Cb 0.63 -1.15 -0.01 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 -1.12 -0.06 0.00 -1.77 3.57 -1.86 -3.42 116.94 112.28 2k22 h PHE 53 Ca -0.44 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.00 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 -0.53 -0.22 -2.23 0.00 0.00 178.31 175.64 2k22 h LYS 54 N -0.53 0.00 0.00 1.11 1.63 -1.92 -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 0.35 0.00 0.09 -3.45 0.00 0.00 179.45 176.45 2k22 n ASN 55 N -4.61 0.00 -4.77 4.20 5.03 -1.26 -4.95 115.26 108.90 2k22 n ASN 55 Ca -0.12 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.92 2k22 n ASN 55 Cb 0.33 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.07 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 2.69 -0.26 2.41 1.01 -1.26 -3.77 120.40 121.21 2k22 s VAL 56 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.68 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 -0.05 -0.63 0.00 0.00 0.00 175.10 174.58 2k22 s ILE 57 N -1.05 1.75 -0.05 2.22 1.01 -0.71 -4.88 121.20 119.49 2k22 s ILE 57 Ca 0.50 -1.48 0.05 0.00 0.00 0.00 0.00 60.65 59.72 2k22 s ILE 57 Cb -0.40 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2k22 s ILE 57 CO 0.53 -0.18 -0.21 -0.51 0.00 0.00 0.00 174.94 174.57 2k22 s ILE 58 N 1.27 1.69 0.31 2.92 2.07 -1.26 -1.75 121.20 126.45 2k22 s ILE 58 Ca -0.04 -0.87 0.10 0.00 -1.41 0.00 0.00 60.65 58.43 2k22 s ILE 58 Cb -0.19 -1.44 -0.05 0.00 0.13 0.00 0.00 42.46 40.91 2k22 s ILE 58 CO -0.07 0.48 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.64 2k22 s LEU 59 N -0.09 2.94 -0.13 8.50 1.43 -1.21 -4.91 118.68 125.21 2k22 s LEU 59 Ca -0.03 -0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 52.14 2k22 s LEU 59 Cb -0.12 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.76 2k22 s LEU 59 CO 0.02 -0.12 -0.00 0.54 0.23 0.00 0.00 176.35 177.02 2k22 s VAL 60 N -2.47 0.59 -1.46 -1.59 0.11 0.88 -1.92 120.40 114.54 2k22 s VAL 60 Ca 0.33 -0.27 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 2k22 s VAL 60 Cb -0.03 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2k22 s VAL 60 CO 0.18 0.08 0.85 -3.20 -3.33 0.00 0.00 175.10 169.69 2k22 n ASN 61 N 5.06 -5.78 -2.30 3.54 4.05 0.59 -2.51 115.26 117.91 2k22 n ASN 61 Ca -0.09 -0.46 -0.09 0.00 0.45 0.00 0.00 54.58 54.39 2k22 n ASN 61 Cb 0.49 -4.62 0.05 0.00 1.23 0.00 0.00 39.78 36.92 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 -1.68 0.02 0.00 8.20 0.00 -1.26 -4.93 105.19 105.53 2k22 n GLY 62 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2k22 n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k22 n ASN 63 N -2.09 0.00 -4.08 1.61 2.85 -1.04 -5.16 115.26 107.35 2k22 n ASN 63 Ca -0.15 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.06 2k22 n ASN 63 Cb 0.59 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.44 2k22 n ASN 63 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2k22 s ASN 64 N -4.00 2.08 0.48 1.20 4.22 -1.26 -0.08 114.94 117.57 2k22 s ASN 64 Ca 0.00 -0.36 0.17 0.00 -2.14 0.00 0.00 52.86 50.53 2k22 s ASN 64 Cb 0.00 -0.90 1.16 0.00 1.28 0.00 0.00 41.25 42.80 2k22 s ASN 64 CO 0.00 0.08 2.03 0.16 -2.04 0.00 0.00 177.10 177.33 2k22 h ILE 65 N 5.80 0.90 0.00 0.54 3.07 -1.87 0.11 117.51 126.06 2k22 h ILE 65 Ca -0.29 -0.08 -0.01 0.00 1.55 0.00 0.00 64.86 66.03 2k22 h ILE 65 Cb 1.20 0.65 -0.00 0.00 -0.27 0.00 0.00 36.82 38.39 2k22 h ILE 65 CO 0.47 0.04 -0.05 0.71 -1.05 0.00 0.00 178.15 178.28 2k22 h THR 66 N 0.23 0.77 -0.72 0.16 1.35 -1.84 -1.18 112.91 111.68 2k22 h THR 66 Ca 0.20 -0.17 0.14 0.00 -0.55 0.00 0.00 66.41 66.02 2k22 h THR 66 Cb 0.49 1.10 -0.10 0.00 -1.73 0.00 0.00 68.15 67.92 2k22 h THR 66 CO -0.04 0.04 0.24 -1.28 -0.25 0.00 0.00 175.52 174.24 2k22 h SER 67 N 0.00 0.17 0.00 5.36 0.87 -1.39 -3.41 113.55 115.15 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 0.10 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2k22 h SER 67 CO 0.01 0.06 0.00 1.15 -0.53 0.00 0.00 176.83 177.51 2k22 n MET 68 N -5.06 0.00 -4.33 2.24 -0.00 -0.98 -5.06 117.12 103.93 2k22 n MET 68 Ca 0.13 0.00 -0.33 0.00 -0.00 0.00 0.00 57.70 57.50 2k22 n MET 68 Cb 0.40 -0.00 -0.16 0.00 -0.00 0.00 0.00 33.22 33.46 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 2.97 0.00 3.17 1.02 -0.49 -5.07 119.74 120.96 2k22 s LYS 69 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.16 2k22 s LYS 69 Cb 0.00 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2k22 s LYS 69 CO 0.00 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 2k22 n GLY 70 N 4.41 -2.01 0.13 -3.33 0.00 -1.13 -2.69 105.19 100.57 2k22 n GLY 70 Ca -0.20 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 -0.38 0.99 5.85 -1.97 -2.87 115.31 116.93 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 -2.33 0.57 -4.77 1.25 9.92 -1.26 -2.93 116.55 117.00 2k22 n ASP 72 Ca 0.04 -1.60 -0.40 0.00 -0.53 0.00 0.00 54.79 52.30 2k22 n ASP 72 Cb 0.36 -0.04 0.01 0.00 -0.64 0.00 0.00 41.12 40.80 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 -1.92 2.12 -0.15 -3.53 2.01 -1.08 -4.89 115.64 108.19 2k22 s THR 73 Ca 0.25 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.32 2k22 s THR 73 Cb 0.12 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 2k22 s THR 73 CO 0.20 0.02 0.00 -0.70 -0.69 0.00 0.00 174.62 173.45 2k22 s GLU 74 N -2.34 3.69 -0.06 4.92 2.12 -1.26 -2.79 118.70 122.97 2k22 s GLU 74 Ca 0.59 -0.44 0.04 0.00 0.36 0.00 0.00 54.97 55.51 2k22 s GLU 74 Cb -0.44 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2k22 s GLU 74 CO 0.57 0.32 -0.17 0.96 -0.54 0.00 0.00 175.26 176.39 2k22 s ILE 75 N 0.19 1.50 0.48 -3.70 -4.36 -0.93 -4.97 121.20 109.41 2k22 s ILE 75 Ca 0.01 -0.73 0.07 0.00 -0.26 0.00 0.00 60.65 59.74 2k22 s ILE 75 Cb -0.13 -1.31 0.01 0.00 1.25 0.00 0.00 42.46 42.28 2k22 s ILE 75 CO 0.02 0.43 0.41 -1.59 0.24 0.00 0.00 174.94 174.45 2k22 s LYS 76 N 0.24 2.38 0.55 0.37 -2.85 -1.26 -4.17 119.74 115.00 2k22 s LYS 76 Ca -0.09 -1.76 0.28 0.00 -1.00 0.00 0.00 55.97 53.40 2k22 s LYS 76 Cb -0.14 -2.27 1.46 0.00 -2.06 0.00 0.00 37.83 34.82 2k22 s LYS 76 CO 0.04 -0.42 1.95 0.38 0.10 0.00 0.00 175.35 177.40 2k22 h ASP 77 N 0.87 0.00 0.71 0.03 2.03 -1.98 0.25 116.42 118.32 2k22 h ASP 77 Ca -0.39 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 55.71 2k22 h ASP 77 Cb 1.28 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.77 2k22 h ASP 77 CO 0.57 0.00 -0.95 -0.78 -1.03 0.00 0.00 179.24 177.05 2k22 h ASP 78 N 0.00 0.19 -4.11 4.15 3.58 -1.94 -3.44 116.42 114.85 2k22 h ASP 78 Ca 0.29 -0.17 -0.54 0.00 0.42 0.00 0.00 57.03 57.02 2k22 h ASP 78 Cb 1.23 -0.06 0.13 0.00 1.72 0.00 0.00 39.33 42.35 2k22 h ASP 78 CO -0.00 1.03 0.49 -1.81 -2.88 0.00 0.00 179.24 176.06 2k22 s ASP 79 N -6.90 4.92 -0.03 2.28 1.11 0.87 -5.01 116.67 113.92 2k22 s ASP 79 Ca -0.02 2.48 -0.02 0.00 0.18 0.00 0.00 52.55 55.17 2k22 s ASP 79 Cb 0.10 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.50 2k22 s ASP 79 CO 0.83 -1.78 0.07 -1.59 1.18 0.00 0.00 175.17 173.88 2k22 s LYS 80 N -3.37 0.05 -0.10 8.23 -2.85 -1.26 -4.41 119.74 116.03 2k22 s LYS 80 Ca 0.79 0.15 -0.04 0.00 -1.00 0.00 0.00 55.97 55.88 2k22 s LYS 80 Cb -0.33 -0.05 -0.04 0.00 -2.06 0.00 0.00 37.83 35.35 2k22 s LYS 80 CO 0.36 -0.07 0.05 0.42 0.10 0.00 0.00 175.35 176.22 2k22 s ILE 81 N 0.42 4.76 0.26 3.79 1.09 0.10 -0.30 121.20 131.32 2k22 s ILE 81 Ca -0.03 -0.08 0.09 0.00 -1.10 0.00 0.00 60.65 59.53 2k22 s ILE 81 Cb -0.05 -3.03 -0.05 0.00 -1.06 0.00 0.00 42.46 38.27 2k22 s ILE 81 CO -0.02 0.61 -0.14 1.51 -0.10 0.00 0.00 174.94 176.80 2k22 s ASP 82 N -0.95 3.08 -0.04 3.58 -4.77 -0.81 -3.16 116.67 113.59 2k22 s ASP 82 Ca 0.14 -1.07 -0.01 0.00 -3.30 0.00 0.00 52.55 48.31 2k22 s ASP 82 Cb -0.12 -0.22 0.03 0.00 -1.09 0.00 0.00 42.92 41.52 2k22 s ASP 82 CO 0.03 -0.13 0.03 -0.22 0.70 0.00 0.00 175.17 175.58 2k22 s LEU 83 N -3.44 0.54 -0.01 2.11 1.98 -1.24 -3.36 118.68 115.27 2k22 s LEU 83 Ca 0.27 0.01 0.06 0.00 -2.89 0.00 0.00 54.13 51.58 2k22 s LEU 83 Cb -0.01 -0.23 -0.01 0.00 0.66 0.00 0.00 46.19 46.60 2k22 s LEU 83 CO 0.12 -0.19 -0.18 0.12 -1.89 0.00 0.00 176.35 174.32 2k22 s PHE 84 N 1.79 1.61 0.85 5.38 5.36 -0.72 -4.46 117.98 127.80 2k22 s PHE 84 Ca 0.01 -0.31 -0.11 0.00 -0.96 0.00 0.00 56.93 55.56 2k22 s PHE 84 Cb -0.12 -1.04 0.10 0.00 -0.34 0.00 0.00 43.02 41.62 2k22 s PHE 84 CO -0.03 -0.03 1.09 -1.25 -1.46 0.00 0.00 175.22 173.54 2k22 s PRO 85 N -0.42 1.59 0.59 10.12 0.04 -1.26 -1.74 135.00 143.92 2k22 s PRO 85 Ca 0.07 0.94 -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 32.60 2k22 s PRO 85 CO -0.01 -2.04 1.12 -1.25 0.04 0.00 0.00 177.00 174.86 2k22 s PRO 86 N -4.92 3.11 0.55 0.56 0.04 -1.25 -4.53 135.00 128.56 2k22 s PRO 86 Ca 0.63 1.51 0.28 0.00 0.04 0.00 0.00 61.00 63.46 2k22 s PRO 86 Cb -0.18 -1.98 1.45 0.00 0.04 0.00 0.00 34.50 33.83 2k22 s PRO 86 CO 0.57 -1.02 1.94 -0.39 0.04 0.00 0.00 177.00 178.13 2k22 h VAL 87 N 0.68 0.59 0.00 -0.36 -1.51 -1.93 -2.89 116.25 110.83 2k22 h VAL 87 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2k22 h VAL 87 Cb 1.25 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2k22 h VAL 87 CO 0.56 0.00 -0.28 0.00 -1.23 0.00 0.00 177.57 176.62 2k22 h ALA 88 N 1.61 0.00 0.00 5.19 0.00 -1.93 -3.51 119.26 120.62 2k22 h ALA 88 Ca 0.31 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k22 h ALA 88 Cb 1.30 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2k22 h ALA 88 CO -0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2k22 n GLY 89 N 1.70 0.13 0.00 0.00 0.00 -1.09 -5.21 105.19 100.72 2k22 n GLY 89 Ca -0.04 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93