#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 1.95 -0.05 1.12 -7.23 -0.14 -3.81 120.40 112.24 2k22 s VAL 2 Ca 0.00 -1.05 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 2k22 s VAL 2 Cb 0.00 -1.62 -0.00 0.00 0.56 0.00 0.00 36.38 35.32 2k22 s VAL 2 CO 0.00 0.55 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.29 2k22 s THR 3 N -0.52 1.34 0.00 5.32 2.01 -1.26 -1.56 115.64 120.97 2k22 s THR 3 Ca 0.08 -0.65 0.07 0.00 0.31 0.00 0.00 61.69 61.50 2k22 s THR 3 Cb -0.10 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2k22 s THR 3 CO -0.00 0.39 -0.23 0.68 -0.69 0.00 0.00 174.62 174.77 2k22 s VAL 4 N 0.16 1.84 0.15 3.82 -7.23 -1.26 -0.35 120.40 117.52 2k22 s VAL 4 Ca -0.06 -1.07 0.11 0.00 -1.81 0.00 0.00 61.98 59.15 2k22 s VAL 4 Cb -0.12 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 2k22 s VAL 4 CO 0.02 0.45 -0.25 -0.13 -0.31 0.00 0.00 175.10 174.89 2k22 s ARG 5 N -0.73 1.50 -0.02 4.82 0.52 -1.10 -4.63 118.95 119.31 2k22 s ARG 5 Ca 0.09 -1.37 -0.01 0.00 -0.52 0.00 0.00 55.73 53.92 2k22 s ARG 5 Cb -0.09 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.47 2k22 s ARG 5 CO -0.00 0.44 0.04 0.71 0.02 0.00 0.00 175.30 176.51 2k22 s TYR 6 N -1.24 -0.02 0.91 -0.53 2.02 -1.26 -2.87 117.35 114.35 2k22 s TYR 6 Ca 0.17 0.14 -0.12 0.00 -0.37 0.00 0.00 57.07 56.88 2k22 s TYR 6 Cb -0.10 -0.08 0.20 0.00 -0.40 0.00 0.00 41.96 41.58 2k22 s TYR 6 CO 0.08 -0.06 1.25 0.71 -1.57 0.00 0.00 175.55 175.96 2k22 s TYR 7 N 0.49 1.36 0.61 2.71 1.51 -1.26 -4.88 117.35 117.89 2k22 s TYR 7 Ca -0.04 0.06 0.31 0.00 -1.01 0.00 0.00 57.07 56.39 2k22 s TYR 7 Cb -0.06 -3.85 1.73 0.00 -0.11 0.00 0.00 41.96 39.68 2k22 s TYR 7 CO -0.02 -2.50 2.10 0.00 -1.11 0.00 0.00 175.55 174.02 2k22 h ALA 8 N -1.39 1.68 -0.45 3.71 0.00 -2.00 -0.43 119.26 120.38 2k22 h ALA 8 Ca -0.41 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2k22 h ALA 8 Cb 1.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2k22 h ALA 8 CO 0.35 -0.29 -0.07 1.79 0.00 0.00 0.00 179.25 181.03 2k22 h THR 9 N 0.00 1.25 -0.61 0.00 1.35 -2.00 -2.51 112.91 110.39 2k22 h THR 9 Ca 0.07 -1.10 -0.17 0.00 -0.55 0.00 0.00 66.41 64.67 2k22 h THR 9 Cb 0.49 0.98 -0.10 0.00 -1.73 0.00 0.00 68.15 67.79 2k22 h THR 9 CO -0.00 0.38 0.21 0.18 -0.25 0.00 0.00 175.52 176.04 2k22 n LEU 10 N -4.18 5.39 0.41 3.87 4.32 -0.18 -4.53 117.00 122.10 2k22 n LEU 10 Ca 0.02 -2.79 -0.18 0.00 -0.02 0.00 0.00 56.01 53.04 2k22 n LEU 10 Cb 0.34 -0.70 -0.09 0.00 -1.62 0.00 0.00 43.42 41.35 2k22 n LEU 10 CO 0.42 0.72 0.54 -0.09 -1.22 0.00 0.00 177.39 177.76 2k22 h ARG 11 N 2.32 -1.00 0.00 3.23 2.43 -1.35 -1.20 114.38 118.82 2k22 h ARG 11 Ca 0.21 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2k22 h ARG 11 Cb 2.05 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.83 2k22 h ARG 11 CO 0.61 -0.65 0.00 -0.35 -1.51 0.00 0.00 179.97 178.07 2k22 n PRO 12 N -5.50 0.08 0.03 0.20 -0.04 -1.26 -0.04 135.00 128.47 2k22 n PRO 12 Ca -0.14 0.22 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 2k22 n PRO 12 Cb 0.42 -1.50 -0.09 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 -1.42 0.69 -0.11 0.52 5.41 -1.04 -4.26 119.36 119.14 2k22 n ILE 13 Ca 0.05 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 63.19 2k22 n ILE 13 Cb 0.15 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 2k22 n ILE 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2k22 n THR 14 N -2.63 0.79 -2.56 1.39 -1.04 -0.48 -4.79 114.28 104.96 2k22 n THR 14 Ca -0.07 -0.84 -0.13 0.00 -2.04 0.00 0.00 64.05 60.97 2k22 n THR 14 Cb 0.70 0.62 -0.00 0.00 -1.82 0.00 0.00 70.33 69.82 2k22 n THR 14 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2k22 n LYS 15 N -0.40 -2.46 -3.49 -2.82 4.76 0.95 -1.99 118.16 112.72 2k22 n LYS 15 Ca 0.00 0.56 -0.22 0.00 -2.87 0.00 0.00 58.31 55.79 2k22 n LYS 15 Cb 0.25 -5.18 0.04 0.00 -1.84 0.00 0.00 35.03 28.30 2k22 n LYS 15 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k22 n LYS 16 N -2.93 -1.49 -3.66 1.97 5.02 -0.85 -5.01 118.16 111.21 2k22 n LYS 16 Ca -0.12 0.76 -0.07 0.00 -2.02 0.00 0.00 58.31 56.85 2k22 n LYS 16 Cb 0.60 -4.62 -0.08 0.00 -0.02 0.00 0.00 35.03 30.91 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 -5.00 0.50 0.03 1.97 2.36 -0.84 -5.16 119.74 113.59 2k22 s LYS 17 Ca 0.35 1.11 0.07 0.00 -2.55 0.00 0.00 55.97 54.95 2k22 s LYS 17 Cb -0.10 0.29 -0.02 0.00 -1.05 0.00 0.00 37.83 36.95 2k22 s LYS 17 CO 0.82 -0.19 -0.21 -2.00 1.55 0.00 0.00 175.35 175.32 2k22 s GLU 18 N 2.07 1.50 0.17 4.03 -6.30 -1.26 -4.94 118.70 113.97 2k22 s GLU 18 Ca -0.07 -0.89 -0.18 0.00 -2.50 0.00 0.00 54.97 51.33 2k22 s GLU 18 Cb -0.09 -1.57 0.04 0.00 0.00 0.00 0.00 34.13 32.51 2k22 s GLU 18 CO -0.16 0.41 0.51 -1.83 0.02 0.00 0.00 175.26 174.21 2k22 s GLU 19 N -0.97 1.29 0.31 4.30 1.03 -1.26 -5.11 118.70 118.28 2k22 s GLU 19 Ca 0.08 -0.75 0.07 0.00 0.03 0.00 0.00 54.97 54.40 2k22 s GLU 19 Cb -0.09 0.52 -0.02 0.00 -0.80 0.00 0.00 34.13 33.74 2k22 s GLU 19 CO 0.01 -0.54 0.32 0.95 -1.33 0.00 0.00 175.26 174.67 2k22 s THR 20 N -3.83 4.08 0.02 1.83 -4.23 -1.26 -4.29 115.64 107.96 2k22 s THR 20 Ca 0.06 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 59.38 2k22 s THR 20 Cb -0.00 -3.37 -0.02 0.00 1.34 0.00 0.00 72.50 70.45 2k22 s THR 20 CO -0.07 -0.23 -0.14 0.12 -0.54 0.00 0.00 174.62 173.76 2k22 s PHE 21 N -2.19 1.24 0.28 3.99 5.36 -0.60 -4.95 117.98 121.10 2k22 s PHE 21 Ca 0.39 -0.30 0.09 0.00 -0.96 0.00 0.00 56.93 56.15 2k22 s PHE 21 Cb -0.08 -0.76 -0.05 0.00 -0.34 0.00 0.00 43.02 41.79 2k22 s PHE 21 CO 0.28 0.01 -0.12 0.54 -1.46 0.00 0.00 175.22 174.47 2k22 s ASN 22 N -0.78 3.13 0.00 6.13 4.22 -1.26 -0.97 114.94 125.40 2k22 s ASN 22 Ca 0.03 -1.11 0.00 0.00 -2.14 0.00 0.00 52.86 49.64 2k22 s ASN 22 Cb -0.07 -0.23 0.00 0.00 1.28 0.00 0.00 41.25 42.23 2k22 s ASN 22 CO 0.00 -0.18 0.00 0.61 -2.04 0.00 0.00 177.10 175.50 2k22 n GLY 23 N -0.59 3.33 3.54 0.45 0.00 -1.26 -5.05 105.19 105.62 2k22 n GLY 23 Ca -0.06 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 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 3.15 -0.41 -0.61 2.07 -1.26 -5.05 121.20 119.08 2k22 s ILE 24 Ca 0.00 -1.33 0.09 0.00 -1.41 0.00 0.00 60.65 58.00 2k22 s ILE 24 Cb 0.00 -2.45 0.42 0.00 0.13 0.00 0.00 42.46 40.56 2k22 s ILE 24 CO 0.00 0.13 1.03 -1.20 -1.91 0.00 0.00 174.94 172.99 2k22 n SER 25 N 0.81 3.57 -3.84 4.50 7.64 -1.26 -4.57 113.62 120.48 2k22 n SER 25 Ca -0.14 -3.39 -0.11 0.00 1.01 0.00 0.00 58.87 56.24 2k22 n SER 25 Cb 0.52 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 63.14 2k22 n SER 25 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k22 s LYS 26 N -3.37 0.65 0.49 1.43 1.02 -1.26 -0.52 119.74 118.19 2k22 s LYS 26 Ca 0.42 -0.52 0.27 0.00 0.02 0.00 0.00 55.97 56.15 2k22 s LYS 26 Cb 0.41 0.27 1.26 0.00 -0.52 0.00 0.00 37.83 39.25 2k22 s LYS 26 CO -0.11 -0.18 1.98 0.82 -0.92 0.00 0.00 175.35 176.93 2k22 h ILE 27 N 3.68 0.52 -0.11 2.17 1.08 -1.61 -2.88 117.51 120.36 2k22 h ILE 27 Ca -0.31 -0.76 0.04 0.00 -0.39 0.00 0.00 64.86 63.44 2k22 h ILE 27 Cb 1.19 1.51 -0.06 0.00 -3.07 0.00 0.00 36.82 36.40 2k22 h ILE 27 CO 0.45 0.15 -0.25 -1.28 -0.69 0.00 0.00 178.15 176.54 2k22 h SER 28 N 0.00 -0.76 0.41 1.72 0.87 -1.83 0.14 113.55 114.09 2k22 h SER 28 Ca -0.00 0.12 -0.18 0.00 -1.23 0.00 0.00 61.79 60.49 2k22 h SER 28 Cb 0.50 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 2k22 h SER 28 CO 0.02 -0.30 -0.77 -0.33 -0.53 0.00 0.00 176.83 174.92 2k22 h GLU 29 N -0.33 0.28 -0.04 2.24 3.07 -1.91 -2.43 114.58 115.47 2k22 h GLU 29 Ca 0.09 -0.26 0.01 0.00 -0.50 0.00 0.00 59.36 58.71 2k22 h GLU 29 Cb 0.47 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2k22 h GLU 29 CO -0.30 0.93 -0.03 1.25 -1.40 0.00 0.00 179.01 179.46 2k22 h LEU 30 N 0.18 -0.10 -0.57 1.33 5.85 -1.20 0.26 115.31 121.07 2k22 h LEU 30 Ca -0.03 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 2k22 h LEU 30 Cb 1.36 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2k22 h LEU 30 CO 0.12 -0.05 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.75 2k22 h LEU 31 N -0.04 0.79 -0.90 2.25 3.38 -0.80 -0.76 115.31 119.23 2k22 h LEU 31 Ca 0.03 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 2k22 h LEU 31 Cb 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2k22 h LEU 31 CO -0.06 1.07 0.02 -0.08 0.09 0.00 0.00 178.44 179.48 2k22 h GLU 32 N 0.62 0.83 0.04 1.13 4.22 -1.13 0.24 114.58 120.53 2k22 h GLU 32 Ca 0.06 -0.22 -0.24 0.00 0.08 0.00 0.00 59.36 59.04 2k22 h GLU 32 Cb 0.90 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.06 2k22 h GLU 32 CO 0.08 0.82 -1.03 0.00 -2.18 0.00 0.00 179.01 176.70 2k22 h ARG 33 N 0.78 0.40 -0.16 1.92 2.47 -0.37 -2.70 114.38 116.73 2k22 h ARG 33 Ca 0.15 -0.48 -0.17 0.00 -1.26 0.00 0.00 59.98 58.22 2k22 h ARG 33 Cb 0.44 0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.92 2k22 h ARG 33 CO 0.02 1.15 -0.56 -0.07 0.56 0.00 0.00 179.97 181.07 2k22 h LEU 34 N 0.20 0.76 -0.75 3.04 4.07 -0.93 -0.14 115.31 121.56 2k22 h LEU 34 Ca -0.10 -0.61 -0.06 0.00 0.08 0.00 0.00 57.88 57.19 2k22 h LEU 34 Cb 1.69 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 43.17 2k22 h LEU 34 CO 0.18 1.24 0.25 0.50 -1.08 0.00 0.00 178.44 179.53 2k22 h LYS 35 N 0.33 1.16 0.01 1.13 3.11 -0.61 -2.79 116.57 118.92 2k22 h LYS 35 Ca -0.03 -0.24 -0.19 0.00 -2.81 0.00 0.00 60.65 57.38 2k22 h LYS 35 Cb 1.19 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 32.23 2k22 h LYS 35 CO 0.12 0.98 -0.88 -0.24 -2.81 0.00 0.00 179.45 176.62 2k22 h VAL 36 N 1.12 1.57 -0.62 2.00 3.04 -1.50 0.53 116.25 122.39 2k22 h VAL 36 Ca 0.24 -2.83 0.12 0.00 -1.01 0.00 0.00 66.70 63.23 2k22 h VAL 36 Cb 0.29 2.56 -0.12 0.00 -2.01 0.00 0.00 31.29 32.01 2k22 h VAL 36 CO -0.01 0.81 -0.21 -0.33 -1.01 0.00 0.00 177.57 176.83 2k22 h GLU 37 N 0.04 -0.05 0.00 4.17 4.39 -0.72 -3.27 114.58 119.13 2k22 h GLU 37 Ca -0.03 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.46 2k22 h GLU 37 Cb 1.53 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.16 2k22 h GLU 37 CO 0.12 -0.03 -1.81 0.98 -1.16 0.00 0.00 179.01 177.11 2k22 n TYR 38 N -5.44 0.00 0.00 4.33 9.36 -1.22 -5.10 117.16 119.09 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 0.34 -0.55 0.00 0.00 -0.63 0.00 0.00 39.34 38.50 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 2.79 0.43 0.22 2.98 0.00 0.18 -4.69 105.19 107.11 2k22 n GLY 39 Ca -0.25 -2.16 0.03 0.00 0.00 0.00 0.00 46.02 43.64 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 0.11 -0.62 1.61 0.02 -1.96 -2.68 113.55 110.03 2k22 h SER 40 Ca 0.00 -0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.05 2k22 h SER 40 Cb 0.00 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 62.42 2k22 h SER 40 CO 0.00 0.32 0.10 -0.33 -1.14 0.00 0.00 176.83 175.78 2k22 h GLU 41 N 0.11 0.21 -0.01 3.45 4.39 -1.91 0.26 114.58 121.08 2k22 h GLU 41 Ca 0.02 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 2k22 h GLU 41 Cb 0.43 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2k22 h GLU 41 CO 0.03 0.14 -0.26 0.35 -1.16 0.00 0.00 179.01 178.11 2k22 h PHE 42 N 0.22 0.28 -0.80 4.33 3.57 -1.83 -2.43 116.94 120.27 2k22 h PHE 42 Ca 0.33 -0.14 0.14 0.00 3.53 0.00 0.00 57.97 61.83 2k22 h PHE 42 Cb 0.52 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.13 2k22 h PHE 42 CO -0.28 0.93 0.37 1.15 -2.23 0.00 0.00 178.31 178.25 2k22 h THR 43 N -0.46 0.70 0.00 4.41 2.02 -1.11 0.17 112.91 118.65 2k22 h THR 43 Ca -0.03 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 2k22 h THR 43 Cb 1.00 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2k22 h THR 43 CO 0.05 0.10 -0.47 0.11 0.37 0.00 0.00 175.52 175.68 2k22 h LYS 44 N 0.54 0.00 0.00 6.66 1.79 -0.54 0.36 116.57 125.39 2k22 h LYS 44 Ca 0.44 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.78 2k22 h LYS 44 Cb 0.64 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 2k22 h LYS 44 CO -0.38 0.47 -0.63 0.37 -1.08 0.00 0.00 179.45 178.20 2k22 h GLN 45 N 0.00 0.00 -0.16 3.15 5.75 -0.23 -3.14 115.11 120.48 2k22 h GLN 45 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2k22 h GLN 45 Cb 1.11 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.66 2k22 h GLN 45 CO 0.06 0.63 0.00 -0.12 -2.65 0.00 0.00 178.83 176.75 2k22 n MET 46 N -3.70 1.92 -2.91 1.69 1.56 -0.02 -4.55 117.12 111.11 2k22 n MET 46 Ca -0.01 -1.56 0.04 0.00 -0.27 0.00 0.00 57.70 55.90 2k22 n MET 46 Cb 0.64 -1.17 0.00 0.00 2.15 0.00 0.00 33.22 34.85 2k22 n MET 46 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 2k22 s TYR 47 N -0.87 -0.10 -0.85 1.12 5.04 0.13 -4.68 117.35 117.14 2k22 s TYR 47 Ca 0.13 0.04 -0.15 0.00 -2.44 0.00 0.00 57.07 54.65 2k22 s TYR 47 Cb 0.08 0.02 0.20 0.00 0.35 0.00 0.00 41.96 42.61 2k22 s TYR 47 CO 0.10 -0.06 0.85 0.34 -1.34 0.00 0.00 175.55 175.44 2k22 s ASP 48 N 2.47 6.75 0.00 4.32 2.15 -0.65 -3.53 116.67 128.18 2k22 s ASP 48 Ca 0.23 -2.57 0.00 0.00 0.43 0.00 0.00 52.55 50.64 2k22 s ASP 48 Cb 0.03 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2k22 s ASP 48 CO -0.19 -0.67 0.00 0.61 -0.17 0.00 0.00 175.17 174.75 2k22 n GLY 49 N 4.26 2.28 0.00 2.66 0.00 -1.26 -3.65 105.19 109.48 2k22 n GLY 49 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 4.58 2.52 -4.37 1.61 4.13 -1.26 -5.10 115.26 117.36 2k22 n ASN 50 Ca 0.00 0.00 -0.19 0.00 1.68 0.00 0.00 54.58 56.07 2k22 n ASN 50 Cb 0.00 0.04 -0.10 0.00 -1.54 0.00 0.00 39.78 38.18 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 -3.42 2.42 0.95 6.41 -0.87 -1.24 -5.04 114.94 114.15 2k22 s ASN 51 Ca 0.00 -1.14 -0.14 0.00 -1.57 0.00 0.00 52.86 50.01 2k22 s ASN 51 Cb 0.00 -0.11 -0.00 0.00 -0.02 0.00 0.00 41.25 41.12 2k22 s ASN 51 CO 0.00 -0.34 0.18 0.18 -2.57 0.00 0.00 177.10 174.56 2k22 n LEU 52 N -0.46 -1.28 0.01 0.60 7.99 -1.26 -1.63 117.00 120.96 2k22 n LEU 52 Ca -0.06 0.32 -0.01 0.00 -0.01 0.00 0.00 56.01 56.24 2k22 n LEU 52 Cb 0.62 -1.12 -0.01 0.00 -0.11 0.00 0.00 43.42 42.81 2k22 n LEU 52 CO 0.37 -4.07 0.06 0.15 -1.51 0.00 0.00 177.39 172.39 2k22 h PHE 53 N -1.39 -0.08 0.00 -1.77 3.57 -1.80 -3.42 116.94 112.05 2k22 h PHE 53 Ca -0.44 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 60.99 2k22 h PHE 53 Cb 1.29 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2k22 h PHE 53 CO 0.35 -0.05 -0.60 -0.22 -2.23 0.00 0.00 178.31 175.57 2k22 h LYS 54 N -0.53 0.00 0.00 1.11 3.64 -1.92 -3.49 116.57 115.38 2k22 h LYS 54 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2k22 h LYS 54 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2k22 h LYS 54 CO 0.01 0.38 0.00 0.09 -2.27 0.00 0.00 179.45 177.67 2k22 n ASN 55 N -4.59 0.00 -4.77 4.20 3.02 -1.26 -4.96 115.26 106.90 2k22 n ASN 55 Ca -0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.01 2k22 n ASN 55 Cb 0.36 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 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 2.72 -0.25 2.41 1.01 -1.26 -3.77 120.40 121.26 2k22 s VAL 56 Ca 0.00 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.70 2k22 s VAL 56 Cb 0.00 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 33.00 2k22 s VAL 56 CO 0.00 0.16 -0.03 -0.63 0.00 0.00 0.00 175.10 174.59 2k22 s ILE 57 N -1.17 1.57 -0.04 2.22 1.01 -0.51 -4.88 121.20 119.40 2k22 s ILE 57 Ca 0.50 -1.36 0.05 0.00 0.00 0.00 0.00 60.65 59.85 2k22 s ILE 57 Cb -0.39 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2k22 s ILE 57 CO 0.52 -0.20 -0.20 -0.51 0.00 0.00 0.00 174.94 174.55 2k22 s ILE 58 N 1.36 1.66 0.29 2.92 2.07 -1.26 -0.54 121.20 127.69 2k22 s ILE 58 Ca -0.03 -0.85 0.11 0.00 -1.41 0.00 0.00 60.65 58.47 2k22 s ILE 58 Cb -0.19 -1.41 -0.05 0.00 0.13 0.00 0.00 42.46 40.94 2k22 s ILE 58 CO -0.08 0.47 -0.14 -0.76 -1.91 0.00 0.00 174.94 172.52 2k22 s LEU 59 N -0.12 2.72 -0.20 8.50 2.01 -1.06 -4.94 118.68 125.60 2k22 s LEU 59 Ca -0.02 -1.00 -0.00 0.00 0.01 0.00 0.00 54.13 53.12 2k22 s LEU 59 Cb -0.12 -1.19 0.05 0.00 0.01 0.00 0.00 46.19 44.95 2k22 s LEU 59 CO 0.02 -0.02 -0.04 -0.69 1.01 0.00 0.00 176.35 176.63 2k22 s VAL 60 N -2.50 1.17 -1.16 -1.59 1.01 -1.24 -2.36 120.40 113.72 2k22 s VAL 60 Ca 0.31 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2k22 s VAL 60 Cb -0.04 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.92 2k22 s VAL 60 CO 0.16 -0.01 1.00 -3.20 0.00 0.00 0.00 175.10 173.05 2k22 n ASN 61 N 4.83 -4.09 -3.86 3.32 4.05 -0.10 -2.43 115.26 116.97 2k22 n ASN 61 Ca -0.11 -0.53 -0.30 0.00 0.45 0.00 0.00 54.58 54.09 2k22 n ASN 61 Cb 0.46 -4.66 0.01 0.00 1.23 0.00 0.00 39.78 36.83 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 -1.51 -0.49 3.21 8.20 0.00 -1.26 -4.92 105.19 108.42 2k22 n GLY 62 Ca -0.12 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.19 -0.29 0.01 1.61 3.84 -1.02 -5.13 114.94 110.77 2k22 s ASN 63 Ca 0.64 0.29 -0.36 0.00 0.21 0.00 0.00 52.86 53.63 2k22 s ASN 63 Cb -0.33 1.29 -0.15 0.00 -0.55 0.00 0.00 41.25 41.51 2k22 s ASN 63 CO 0.78 -0.05 1.58 -0.46 -2.79 0.00 0.00 177.10 176.16 2k22 n ASN 64 N 5.07 2.54 0.13 -4.21 0.23 -1.26 -3.71 115.26 114.04 2k22 n ASN 64 Ca -0.08 1.07 0.18 0.00 -0.53 0.00 0.00 54.58 55.23 2k22 n ASN 64 Cb 0.54 -1.29 0.77 0.00 -2.08 0.00 0.00 39.78 37.72 2k22 n ASN 64 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 2k22 h ILE 65 N 4.13 0.53 0.00 1.53 3.07 -1.83 0.92 117.51 125.87 2k22 h ILE 65 Ca -0.47 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 65.93 2k22 h ILE 65 Cb 1.30 0.77 -0.00 0.00 -0.27 0.00 0.00 36.82 38.62 2k22 h ILE 65 CO 0.87 0.00 -0.04 0.71 -1.05 0.00 0.00 178.15 178.64 2k22 h THR 66 N 0.00 0.75 -1.01 0.16 1.35 -1.86 -1.02 112.91 111.29 2k22 h THR 66 Ca 0.15 -0.17 0.23 0.00 -0.55 0.00 0.00 66.41 66.07 2k22 h THR 66 Cb 0.74 1.10 -0.10 0.00 -1.73 0.00 0.00 68.15 68.16 2k22 h THR 66 CO -0.00 0.04 0.63 -1.28 -0.25 0.00 0.00 175.52 174.66 2k22 h SER 67 N 0.00 0.58 0.00 5.36 0.87 -1.16 -3.40 113.55 115.80 2k22 h SER 67 Ca -0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2k22 h SER 67 Cb 0.10 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2k22 h SER 67 CO 0.01 0.15 0.00 1.15 -0.53 0.00 0.00 176.83 177.61 2k22 n MET 68 N -4.70 0.00 -4.74 2.24 -0.00 -0.89 -5.10 117.12 103.93 2k22 n MET 68 Ca 0.24 0.00 -0.27 0.00 -0.00 0.00 0.00 57.70 57.67 2k22 n MET 68 Cb 0.75 0.00 -0.17 0.00 -0.00 0.00 0.00 33.22 33.80 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 -0.49 2.15 0.00 3.17 1.02 -0.44 -5.06 119.74 120.09 2k22 s LYS 69 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.43 2k22 s LYS 69 Cb 0.00 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 2k22 s LYS 69 CO 0.00 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 2k22 n GLY 70 N 3.79 -1.95 0.16 -3.33 0.00 -1.21 -2.98 105.19 99.67 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 0.00 0.99 5.85 -1.96 -2.94 115.31 117.26 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 -2.54 0.00 -4.71 1.25 8.00 -1.26 -3.31 116.55 113.98 2k22 n ASP 72 Ca 0.04 0.42 -0.42 0.00 0.71 0.00 0.00 54.79 55.54 2k22 n ASP 72 Cb 0.40 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 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 -2.94 2.34 0.04 -3.53 2.01 -1.11 -4.90 115.64 107.55 2k22 s THR 73 Ca 0.13 0.13 -0.22 0.00 0.31 0.00 0.00 61.69 62.03 2k22 s THR 73 Cb 0.15 -3.08 -0.06 0.00 0.01 0.00 0.00 72.50 69.52 2k22 s THR 73 CO 0.41 0.01 0.65 -1.83 -0.69 0.00 0.00 174.62 173.17 2k22 s GLU 74 N 1.73 4.36 -0.21 4.92 -1.05 -1.26 -2.46 118.70 124.74 2k22 s GLU 74 Ca 0.76 0.86 0.02 0.00 -0.15 0.00 0.00 54.97 56.45 2k22 s GLU 74 Cb -0.47 -3.32 0.04 0.00 -0.44 0.00 0.00 34.13 29.94 2k22 s GLU 74 CO 0.33 0.42 -0.16 0.96 0.95 0.00 0.00 175.26 177.77 2k22 s ILE 75 N -0.45 2.05 0.73 1.83 -4.36 0.32 -4.93 121.20 116.39 2k22 s ILE 75 Ca 0.33 -1.18 -0.05 0.00 -0.26 0.00 0.00 60.65 59.50 2k22 s ILE 75 Cb -0.20 -1.98 0.11 0.00 1.25 0.00 0.00 42.46 41.64 2k22 s ILE 75 CO 0.20 0.31 1.02 -0.54 0.24 0.00 0.00 174.94 176.17 2k22 s LYS 76 N 1.24 1.79 0.60 0.37 -0.14 -1.26 -4.04 119.74 118.29 2k22 s LYS 76 Ca -0.00 -0.70 0.29 0.00 -1.36 0.00 0.00 55.97 54.20 2k22 s LYS 76 Cb -0.16 -2.23 1.64 0.00 -1.68 0.00 0.00 37.83 35.40 2k22 s LYS 76 CO -0.10 -1.43 2.04 0.38 -0.76 0.00 0.00 175.35 175.48 2k22 h ASP 77 N -0.64 0.00 0.93 2.83 2.03 -1.97 0.18 116.42 119.78 2k22 h ASP 77 Ca -0.41 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 55.69 2k22 h ASP 77 Cb 1.28 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.75 2k22 h ASP 77 CO 0.47 0.00 -0.97 -0.78 -1.03 0.00 0.00 179.24 176.94 2k22 h ASP 78 N 0.00 0.03 -4.12 4.15 3.58 -1.92 -3.42 116.42 114.72 2k22 h ASP 78 Ca 0.11 -0.03 -0.55 0.00 0.42 0.00 0.00 57.03 56.98 2k22 h ASP 78 Cb 0.66 -0.01 0.16 0.00 1.72 0.00 0.00 39.33 41.86 2k22 h ASP 78 CO -0.00 0.98 0.49 -1.81 -2.88 0.00 0.00 179.24 176.01 2k22 s ASP 79 N -6.75 4.53 -0.11 2.28 1.11 0.63 -5.01 116.67 113.35 2k22 s ASP 79 Ca 0.00 2.56 -0.09 0.00 0.18 0.00 0.00 52.55 55.20 2k22 s ASP 79 Cb 0.10 -2.61 0.03 0.00 1.07 0.00 0.00 42.92 41.51 2k22 s ASP 79 CO 0.82 -2.05 0.28 -1.59 1.18 0.00 0.00 175.17 173.80 2k22 s LYS 80 N -3.49 0.31 -0.10 8.23 0.00 -1.26 -4.45 119.74 118.97 2k22 s LYS 80 Ca 0.81 0.41 -0.04 0.00 0.00 0.00 0.00 55.97 57.15 2k22 s LYS 80 Cb -0.35 0.11 -0.04 0.00 0.00 0.00 0.00 37.83 37.56 2k22 s LYS 80 CO 0.40 -0.06 0.06 0.42 0.00 0.00 0.00 175.35 176.18 2k22 s ILE 81 N 0.33 4.85 0.04 3.79 1.09 0.52 -0.92 121.20 130.90 2k22 s ILE 81 Ca -0.02 -0.04 0.05 0.00 -1.10 0.00 0.00 60.65 59.54 2k22 s ILE 81 Cb -0.03 -3.08 -0.02 0.00 -1.06 0.00 0.00 42.46 38.27 2k22 s ILE 81 CO -0.01 0.61 -0.14 -0.62 -0.10 0.00 0.00 174.94 174.68 2k22 s ASP 82 N -0.95 1.63 -0.19 3.58 -1.08 -1.00 -2.71 116.67 115.95 2k22 s ASP 82 Ca 0.14 -0.47 0.01 0.00 -0.52 0.00 0.00 52.55 51.71 2k22 s ASP 82 Cb -0.12 -0.10 0.03 0.00 -1.46 0.00 0.00 42.92 41.28 2k22 s ASP 82 CO 0.03 0.02 -0.15 -0.22 0.52 0.00 0.00 175.17 175.37 2k22 s LEU 83 N -1.19 2.32 -0.07 -1.34 1.98 -1.14 -2.57 118.68 116.67 2k22 s LEU 83 Ca 0.01 -0.81 0.00 0.00 -2.89 0.00 0.00 54.13 50.44 2k22 s LEU 83 Cb -0.08 -1.38 -0.03 0.00 0.66 0.00 0.00 46.19 45.36 2k22 s LEU 83 CO 0.01 -0.08 -0.06 -0.36 -1.89 0.00 0.00 176.35 173.97 2k22 s PHE 84 N 1.32 2.95 0.83 5.38 0.08 0.30 -4.06 117.98 124.78 2k22 s PHE 84 Ca 0.01 0.01 -0.11 0.00 0.12 0.00 0.00 56.93 56.96 2k22 s PHE 84 Cb -0.15 -1.73 0.09 0.00 -0.57 0.00 0.00 43.02 40.66 2k22 s PHE 84 CO -0.10 0.32 1.09 -1.25 -0.10 0.00 0.00 175.22 175.18 2k22 s PRO 85 N -0.75 1.81 0.56 0.24 0.04 -1.26 -1.43 135.00 134.21 2k22 s PRO 85 Ca 0.11 1.01 -0.19 0.00 0.04 0.00 0.00 61.00 61.98 2k22 s PRO 85 Cb -0.11 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2k22 s PRO 85 CO 0.02 -1.91 1.12 -1.25 0.04 0.00 0.00 177.00 175.02 2k22 s PRO 86 N -4.92 3.26 0.45 0.56 0.04 -1.25 -4.54 135.00 128.61 2k22 s PRO 86 Ca 0.62 1.56 0.16 0.00 0.04 0.00 0.00 61.00 63.39 2k22 s PRO 86 Cb -0.17 -2.00 1.11 0.00 0.04 0.00 0.00 34.50 33.48 2k22 s PRO 86 CO 0.56 -0.92 1.97 -0.39 0.04 0.00 0.00 177.00 178.27 2k22 h VAL 87 N 0.98 0.84 0.00 -0.36 -1.51 -1.93 0.71 116.25 114.98 2k22 h VAL 87 Ca -0.49 -0.11 -0.13 0.00 -1.23 0.00 0.00 66.70 64.74 2k22 h VAL 87 Cb 1.26 0.50 -0.02 0.00 -2.13 0.00 0.00 31.29 30.90 2k22 h VAL 87 CO 0.56 0.06 -0.62 0.00 -1.23 0.00 0.00 177.57 176.34 2k22 h ALA 88 N 1.70 0.65 -3.00 5.19 0.00 -1.93 -3.45 119.26 118.42 2k22 h ALA 88 Ca 0.29 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k22 h ALA 88 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k22 h ALA 88 CO -0.07 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.36 2k22 n GLY 89 N 1.05 -2.00 0.00 0.00 0.00 0.24 -5.21 105.19 99.27 2k22 n GLY 89 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93