#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 -0.03 -0.13 1.12 -7.23 0.79 -3.14 120.40 111.78 2k22 s VAL 2 Ca 0.00 0.12 -0.03 0.00 -1.81 0.00 0.00 61.98 60.26 2k22 s VAL 2 Cb 0.00 -0.13 -0.03 0.00 0.56 0.00 0.00 36.38 36.78 2k22 s VAL 2 CO 0.00 0.05 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.95 2k22 s THR 3 N 0.69 4.23 0.08 5.32 2.01 -1.26 -2.36 115.64 124.34 2k22 s THR 3 Ca -0.05 -0.26 0.09 0.00 0.31 0.00 0.00 61.69 61.78 2k22 s THR 3 Cb -0.08 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 2k22 s THR 3 CO -0.03 0.54 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.50 2k22 s VAL 4 N -0.21 2.07 0.05 3.82 1.01 -1.26 -1.25 120.40 124.64 2k22 s VAL 4 Ca 0.05 -1.50 0.05 0.00 0.00 0.00 0.00 61.98 60.58 2k22 s VAL 4 Cb -0.13 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2k22 s VAL 4 CO 0.02 0.21 -0.08 -0.13 0.00 0.00 0.00 175.10 175.12 2k22 s ARG 5 N -1.57 2.35 0.05 2.72 0.52 -0.36 -4.64 118.95 118.03 2k22 s ARG 5 Ca 0.11 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.49 2k22 s ARG 5 Cb -0.10 -2.40 -0.02 0.00 0.52 0.00 0.00 34.95 32.94 2k22 s ARG 5 CO 0.04 0.55 -0.10 0.71 0.02 0.00 0.00 175.30 176.52 2k22 s TYR 6 N -1.10 0.90 0.32 -0.53 2.02 -1.26 -3.27 117.35 114.43 2k22 s TYR 6 Ca 0.19 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 2k22 s TYR 6 Cb -0.11 -0.52 0.02 0.00 -0.40 0.00 0.00 41.96 40.95 2k22 s TYR 6 CO 0.11 -0.02 0.19 0.66 -1.57 0.00 0.00 175.55 174.92 2k22 n TYR 7 N 1.50 -0.66 0.31 2.71 4.02 -1.26 -4.94 117.16 118.84 2k22 n TYR 7 Ca -0.21 -1.38 0.19 0.00 -0.01 0.00 0.00 57.90 56.48 2k22 n TYR 7 Cb 0.55 -0.25 0.98 0.00 -0.02 0.00 0.00 39.34 40.59 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 0.79 1.32 0.00 -0.72 0.00 -2.01 0.19 119.26 118.83 2k22 h ALA 8 Ca -0.21 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2k22 h ALA 8 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2k22 h ALA 8 CO 0.34 -0.20 -0.43 0.00 0.00 0.00 0.00 179.25 178.95 2k22 h THR 9 N 0.00 0.85 -0.32 0.00 1.03 -1.97 -3.00 112.91 109.50 2k22 h THR 9 Ca 0.02 -1.86 0.00 0.00 -0.01 0.00 0.00 66.41 64.56 2k22 h THR 9 Cb 0.37 2.17 0.00 0.00 -1.07 0.00 0.00 68.15 69.62 2k22 h THR 9 CO -0.00 0.43 0.00 0.18 -0.01 0.00 0.00 175.52 176.12 2k22 n LEU 10 N -3.36 2.84 0.43 0.00 7.99 0.63 -4.43 117.00 121.11 2k22 n LEU 10 Ca 0.01 -1.22 -0.19 0.00 -0.01 0.00 0.00 56.01 54.60 2k22 n LEU 10 Cb 0.62 -0.21 -0.09 0.00 -0.11 0.00 0.00 43.42 43.63 2k22 n LEU 10 CO 0.38 0.61 0.57 -0.09 -1.51 0.00 0.00 177.39 177.35 2k22 h ARG 11 N 3.68 -1.05 0.00 3.23 2.43 -1.35 0.28 114.38 121.59 2k22 h ARG 11 Ca 0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2k22 h ARG 11 Cb 0.81 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2k22 h ARG 11 CO 0.00 -0.69 0.00 -0.35 -1.51 0.00 0.00 179.97 177.42 2k22 n PRO 12 N -5.54 0.11 -0.06 0.20 -0.04 -1.26 -0.09 135.00 128.32 2k22 n PRO 12 Ca -0.15 0.20 -0.06 0.00 -0.04 0.00 0.00 63.50 63.45 2k22 n PRO 12 Cb 0.44 -1.50 -0.02 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 -1.38 1.13 0.45 0.52 5.41 -1.00 -4.50 119.36 119.98 2k22 n ILE 13 Ca 0.05 0.25 0.06 0.00 1.00 0.00 0.00 62.75 64.11 2k22 n ILE 13 Cb 0.14 -2.17 0.20 0.00 -0.71 0.00 0.00 39.64 37.10 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 -4.04 0.87 -2.33 1.39 5.66 0.96 -4.89 114.28 111.91 2k22 n THR 14 Ca -0.09 -0.63 -0.15 0.00 -3.05 0.00 0.00 64.05 60.14 2k22 n THR 14 Cb 0.32 0.06 -0.01 0.00 -1.55 0.00 0.00 70.33 69.15 2k22 n THR 14 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k22 n LYS 15 N 0.59 -1.97 -2.86 1.09 5.02 0.87 -3.51 118.16 117.39 2k22 n LYS 15 Ca 0.14 0.75 -0.02 0.00 -2.02 0.00 0.00 58.31 57.17 2k22 n LYS 15 Cb 0.49 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 2k22 n LYS 15 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k22 n LYS 16 N -2.79 -2.62 -3.22 1.97 5.02 -0.74 -4.99 118.16 110.80 2k22 n LYS 16 Ca -0.18 2.23 0.04 0.00 -2.02 0.00 0.00 58.31 58.38 2k22 n LYS 16 Cb 0.62 -4.26 -0.04 0.00 -0.02 0.00 0.00 35.03 31.33 2k22 n LYS 16 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k22 s LYS 17 N -1.57 0.10 -0.03 1.97 1.02 -1.23 -5.11 119.74 114.89 2k22 s LYS 17 Ca 0.03 0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.25 2k22 s LYS 17 Cb -0.01 0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.41 2k22 s LYS 17 CO 0.60 -0.05 -0.02 -2.00 -0.92 0.00 0.00 175.35 172.96 2k22 s GLU 18 N 2.31 2.79 0.11 1.68 2.12 -1.26 -5.00 118.70 121.45 2k22 s GLU 18 Ca -0.01 -0.58 -0.20 0.00 0.36 0.00 0.00 54.97 54.54 2k22 s GLU 18 Cb -0.03 -2.66 0.05 0.00 0.26 0.00 0.00 34.13 31.74 2k22 s GLU 18 CO -0.15 0.64 0.49 -1.21 -0.54 0.00 0.00 175.26 174.49 2k22 s GLU 19 N -1.31 1.12 -0.15 4.30 0.41 -1.26 -5.10 118.70 116.70 2k22 s GLU 19 Ca 0.17 -0.51 -0.05 0.00 -0.41 0.00 0.00 54.97 54.17 2k22 s GLU 19 Cb -0.11 0.50 -0.04 0.00 -1.78 0.00 0.00 34.13 32.70 2k22 s GLU 19 CO 0.07 -0.44 0.04 0.95 -0.49 0.00 0.00 175.26 175.38 2k22 s THR 20 N -3.40 4.58 0.03 3.63 -4.23 -1.26 -4.28 115.64 110.71 2k22 s THR 20 Ca 0.00 -0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.44 2k22 s THR 20 Cb 0.00 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 2k22 s THR 20 CO -0.09 0.52 -0.14 0.72 -0.54 0.00 0.00 174.62 175.08 2k22 s PHE 21 N -0.08 1.25 0.31 3.99 -0.71 -0.99 -4.88 117.98 116.87 2k22 s PHE 21 Ca 0.05 -0.34 0.09 0.00 -1.04 0.00 0.00 56.93 55.70 2k22 s PHE 21 Cb -0.12 -0.75 -0.05 0.00 -1.21 0.00 0.00 43.02 40.89 2k22 s PHE 21 CO 0.01 0.03 0.03 0.54 -1.34 0.00 0.00 175.22 174.50 2k22 s ASN 22 N -1.04 4.45 0.00 1.98 4.22 -1.26 -0.15 114.94 123.14 2k22 s ASN 22 Ca 0.02 -0.78 0.00 0.00 -2.14 0.00 0.00 52.86 49.96 2k22 s ASN 22 Cb -0.08 -0.71 0.00 0.00 1.28 0.00 0.00 41.25 41.74 2k22 s ASN 22 CO 0.01 -0.14 0.00 0.61 -2.04 0.00 0.00 177.10 175.54 2k22 n GLY 23 N -0.97 -0.01 3.40 0.45 0.00 -1.26 -4.88 105.19 101.91 2k22 n GLY 23 Ca -0.05 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 2.97 -0.91 -0.61 1.09 -1.26 -5.00 121.20 117.48 2k22 s ILE 24 Ca 0.00 -0.72 -0.04 0.00 -1.10 0.00 0.00 60.65 58.79 2k22 s ILE 24 Cb 0.00 -2.20 0.15 0.00 -1.06 0.00 0.00 42.46 39.34 2k22 s ILE 24 CO 0.00 0.55 2.42 -1.54 -0.10 0.00 0.00 174.94 176.28 2k22 n SER 25 N 3.03 7.32 -3.67 3.58 3.41 -1.26 -4.81 113.62 121.21 2k22 n SER 25 Ca -0.18 -3.31 -0.13 0.00 -0.26 0.00 0.00 58.87 54.99 2k22 n SER 25 Cb 0.52 -1.26 -0.07 0.00 -0.26 0.00 0.00 64.21 63.15 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 -2.08 0.89 0.33 4.33 1.02 -1.26 -1.93 119.74 121.04 2k22 s LYS 26 Ca 0.54 -0.34 0.18 0.00 0.02 0.00 0.00 55.97 56.37 2k22 s LYS 26 Cb 0.29 0.40 0.40 0.00 -0.52 0.00 0.00 37.83 38.40 2k22 s LYS 26 CO -0.18 -0.30 1.60 0.82 -0.92 0.00 0.00 175.35 176.37 2k22 h ILE 27 N 3.10 0.83 0.12 2.17 1.08 -1.35 -2.78 117.51 120.68 2k22 h ILE 27 Ca -0.31 -1.83 0.01 0.00 -0.39 0.00 0.00 64.86 62.34 2k22 h ILE 27 Cb 1.20 2.16 -0.02 0.00 -3.07 0.00 0.00 36.82 37.09 2k22 h ILE 27 CO 0.43 0.41 -0.16 -1.28 -0.69 0.00 0.00 178.15 176.86 2k22 h SER 28 N 0.00 -0.44 0.23 1.72 0.87 -1.23 -0.26 113.55 114.44 2k22 h SER 28 Ca -0.00 0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.40 2k22 h SER 28 Cb 1.13 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2k22 h SER 28 CO 0.05 -0.24 -0.79 -0.33 -0.53 0.00 0.00 176.83 175.00 2k22 h GLU 29 N -0.33 0.45 0.06 2.24 3.07 -1.87 -1.58 114.58 116.62 2k22 h GLU 29 Ca 0.01 -0.39 0.02 0.00 -0.50 0.00 0.00 59.36 58.50 2k22 h GLU 29 Cb 0.33 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 2k22 h GLU 29 CO -0.07 1.04 -0.16 1.25 -1.40 0.00 0.00 179.01 179.66 2k22 h LEU 30 N 0.29 -0.46 -0.27 1.33 6.46 -1.26 0.23 115.31 121.63 2k22 h LEU 30 Ca -0.05 0.06 -0.19 0.00 -0.12 0.00 0.00 57.88 57.58 2k22 h LEU 30 Cb 1.39 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.50 2k22 h LEU 30 CO 0.14 -0.23 -0.60 -0.07 -0.62 0.00 0.00 178.44 177.06 2k22 h LEU 31 N -0.30 0.97 -0.95 2.25 3.38 -1.11 -2.02 115.31 117.52 2k22 h LEU 31 Ca 0.03 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.49 2k22 h LEU 31 Cb 0.34 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2k22 h LEU 31 CO -0.11 1.35 0.62 -0.08 0.09 0.00 0.00 178.44 180.30 2k22 h GLU 32 N 0.64 1.19 0.03 1.13 4.81 -1.06 0.28 114.58 121.60 2k22 h GLU 32 Ca -0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2k22 h GLU 32 Cb 1.21 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2k22 h GLU 32 CO 0.13 0.79 -0.01 0.00 -0.73 0.00 0.00 179.01 179.18 2k22 h ARG 33 N 1.22 -0.04 -0.09 1.92 3.08 -0.51 -3.20 114.38 116.77 2k22 h ARG 33 Ca 0.37 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.41 2k22 h ARG 33 Cb -0.05 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2k22 h ARG 33 CO -0.11 0.52 0.01 -0.07 -1.07 0.00 0.00 179.97 179.25 2k22 h LEU 34 N -0.63 0.11 -0.36 3.04 3.38 -1.19 -1.59 115.31 118.07 2k22 h LEU 34 Ca -0.00 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2k22 h LEU 34 Cb 0.58 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 2k22 h LEU 34 CO 0.01 0.13 -0.12 0.50 0.09 0.00 0.00 178.44 179.05 2k22 h LYS 35 N 0.13 -0.03 0.11 1.13 3.64 -0.44 -0.13 116.57 120.98 2k22 h LYS 35 Ca 0.03 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.12 2k22 h LYS 35 Cb 0.08 0.01 0.03 0.00 -0.41 0.00 0.00 32.23 31.93 2k22 h LYS 35 CO -0.00 -0.02 -1.23 0.28 -2.27 0.00 0.00 179.45 176.21 2k22 h VAL 36 N -0.04 1.31 -0.35 2.00 2.07 -1.54 0.47 116.25 120.17 2k22 h VAL 36 Ca 0.18 -2.51 0.08 0.00 0.82 0.00 0.00 66.70 65.26 2k22 h VAL 36 Cb 0.31 2.69 -0.08 0.00 -1.52 0.00 0.00 31.29 32.69 2k22 h VAL 36 CO -0.40 0.76 -0.16 -0.33 0.02 0.00 0.00 177.57 177.47 2k22 h GLU 37 N 0.26 -0.09 0.10 1.57 3.07 -0.86 -3.07 114.58 115.55 2k22 h GLU 37 Ca -0.18 0.01 -0.35 0.00 -0.50 0.00 0.00 59.36 58.34 2k22 h GLU 37 Cb 1.90 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.80 2k22 h GLU 37 CO 0.23 -0.06 -1.96 0.66 -1.40 0.00 0.00 179.01 176.47 2k22 n TYR 38 N -5.34 1.17 0.00 4.33 4.01 -0.10 -5.08 117.16 116.15 2k22 n TYR 38 Ca 0.01 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 2k22 n TYR 38 Cb 0.25 -1.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.12 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 1.92 1.54 0.24 2.72 0.00 0.16 -4.77 105.19 107.01 2k22 n GLY 39 Ca -0.30 -2.21 0.03 0.00 0.00 0.00 0.00 46.02 43.55 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 0.19 -0.47 1.61 0.02 -1.90 -2.88 113.55 110.11 2k22 h SER 40 Ca 0.00 -0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2k22 h SER 40 Cb 0.00 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.41 2k22 h SER 40 CO 0.00 0.32 -0.08 -0.08 -1.14 0.00 0.00 176.83 175.84 2k22 h GLU 41 N 0.19 0.03 0.27 3.45 4.22 -1.89 0.26 114.58 121.11 2k22 h GLU 41 Ca 0.04 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 2k22 h GLU 41 Cb 0.31 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2k22 h GLU 41 CO 0.02 0.02 -0.15 0.35 -2.18 0.00 0.00 179.01 177.06 2k22 h PHE 42 N 0.03 -0.40 -0.95 0.92 3.57 -1.81 0.26 116.94 118.56 2k22 h PHE 42 Ca 0.23 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.81 2k22 h PHE 42 Cb 0.35 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.16 2k22 h PHE 42 CO -0.38 -0.24 0.60 1.15 -2.23 0.00 0.00 178.31 177.22 2k22 h THR 43 N -0.40 1.02 0.00 4.41 2.02 -1.42 0.75 112.91 119.30 2k22 h THR 43 Ca -0.03 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 2k22 h THR 43 Cb 0.32 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2k22 h THR 43 CO 0.04 0.19 -0.42 0.11 0.37 0.00 0.00 175.52 175.81 2k22 h LYS 44 N 1.05 0.00 0.02 6.66 1.79 -0.19 0.27 116.57 126.17 2k22 h LYS 44 Ca 0.43 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.64 2k22 h LYS 44 Cb 0.26 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.93 2k22 h LYS 44 CO -0.20 0.42 -1.05 0.37 -1.08 0.00 0.00 179.45 177.90 2k22 h GLN 45 N 0.00 0.61 -0.45 3.15 -0.00 0.13 -3.05 115.11 115.49 2k22 h GLN 45 Ca -0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 58.65 57.96 2k22 h GLN 45 Cb 0.99 0.20 0.00 0.00 0.00 0.00 0.00 27.48 28.67 2k22 h GLN 45 CO 0.05 1.28 0.00 -0.12 0.00 0.00 0.00 178.83 180.04 2k22 n MET 46 N -3.81 2.54 -2.88 1.69 1.56 0.08 -4.45 117.12 111.85 2k22 n MET 46 Ca -0.10 -2.36 0.03 0.00 -0.27 0.00 0.00 57.70 55.00 2k22 n MET 46 Cb 0.89 -1.52 0.00 0.00 2.15 0.00 0.00 33.22 34.74 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 -1.38 -0.30 -0.87 1.12 5.04 0.94 -4.69 117.35 117.21 2k22 s TYR 47 Ca 0.40 0.09 -0.16 0.00 -2.44 0.00 0.00 57.07 54.97 2k22 s TYR 47 Cb 0.23 0.05 0.19 0.00 0.35 0.00 0.00 41.96 42.78 2k22 s TYR 47 CO 0.32 -0.19 0.91 0.34 -1.34 0.00 0.00 175.55 175.59 2k22 s ASP 48 N 2.32 6.73 0.00 4.32 2.15 -0.76 -3.63 116.67 127.79 2k22 s ASP 48 Ca 0.20 -2.47 0.00 0.00 0.43 0.00 0.00 52.55 50.71 2k22 s ASP 48 Cb 0.02 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2k22 s ASP 48 CO -0.18 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 174.68 2k22 n GLY 49 N 4.52 1.69 0.00 2.66 0.00 -1.26 -3.64 105.19 109.16 2k22 n GLY 49 Ca 0.18 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 2k22 n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k22 n ASN 50 N 4.90 4.75 -4.22 1.61 2.85 -1.26 -5.08 115.26 118.81 2k22 n ASN 50 Ca 0.00 -0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.34 2k22 n ASN 50 Cb 0.00 0.48 -0.10 0.00 1.24 0.00 0.00 39.78 41.40 2k22 n ASN 50 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2k22 s ASN 51 N -3.17 1.07 0.81 1.20 2.20 -1.24 -5.08 114.94 110.74 2k22 s ASN 51 Ca -0.00 -1.15 -0.15 0.00 -0.94 0.00 0.00 52.86 50.61 2k22 s ASN 51 Cb 0.00 0.14 -0.03 0.00 -2.00 0.00 0.00 41.25 39.36 2k22 s ASN 51 CO 0.03 -0.58 0.32 0.18 -2.94 0.00 0.00 177.10 174.11 2k22 n LEU 52 N -0.19 -0.45 0.01 3.54 7.99 -1.26 -1.83 117.00 124.80 2k22 n LEU 52 Ca -0.07 0.47 -0.01 0.00 -0.01 0.00 0.00 56.01 56.38 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 0.33 -3.67 0.05 0.15 -1.51 0.00 0.00 177.39 172.74 2k22 h PHE 53 N -0.80 -0.07 0.00 -1.77 3.57 -1.80 -3.43 116.94 112.65 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 1.33 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 2k22 h PHE 53 CO 0.34 -0.04 -0.59 -0.22 -2.23 0.00 0.00 178.31 175.56 2k22 h LYS 54 N -0.54 0.00 0.00 1.11 1.63 -1.93 -3.49 116.57 113.36 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 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 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 3.02 -1.26 -4.95 115.26 106.91 2k22 n ASN 55 Ca -0.14 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 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 2.73 -0.24 2.41 1.01 -1.26 -3.62 120.40 121.43 2k22 s VAL 56 Ca 0.00 0.73 -0.00 0.00 0.00 0.00 0.00 61.98 62.71 2k22 s VAL 56 Cb 0.00 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.98 2k22 s VAL 56 CO 0.00 0.17 -0.02 -0.63 0.00 0.00 0.00 175.10 174.63 2k22 s ILE 57 N -1.15 1.28 -0.04 2.22 1.01 -0.13 -4.89 121.20 119.50 2k22 s ILE 57 Ca 0.49 -1.14 0.06 0.00 0.00 0.00 0.00 60.65 60.06 2k22 s ILE 57 Cb -0.39 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 2k22 s ILE 57 CO 0.52 -0.20 -0.21 -0.51 0.00 0.00 0.00 174.94 174.54 2k22 s ILE 58 N 1.50 1.74 0.08 2.92 2.07 -1.26 -0.29 121.20 127.96 2k22 s ILE 58 Ca -0.03 -0.90 0.09 0.00 -1.41 0.00 0.00 60.65 58.40 2k22 s ILE 58 Cb -0.18 -1.47 -0.03 0.00 0.13 0.00 0.00 42.46 40.90 2k22 s ILE 58 CO -0.08 0.49 -0.24 -0.76 -1.91 0.00 0.00 174.94 172.43 2k22 s LEU 59 N -0.16 2.24 -0.09 8.50 1.02 -0.66 -4.83 118.68 124.70 2k22 s LEU 59 Ca -0.01 -0.65 0.03 0.00 0.02 0.00 0.00 54.13 53.52 2k22 s LEU 59 Cb -0.12 -1.12 0.01 0.00 0.02 0.00 0.00 46.19 44.98 2k22 s LEU 59 CO 0.02 0.17 -0.19 -0.69 0.02 0.00 0.00 176.35 175.69 2k22 s VAL 60 N -0.95 1.68 -1.21 -1.59 1.01 0.75 -0.89 120.40 119.19 2k22 s VAL 60 Ca 0.11 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2k22 s VAL 60 Cb -0.10 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.81 2k22 s VAL 60 CO 0.04 0.48 1.02 -3.20 0.00 0.00 0.00 175.10 173.43 2k22 n ASN 61 N 3.70 -3.19 -3.89 3.32 4.05 0.08 -2.54 115.26 116.79 2k22 n ASN 61 Ca -0.20 -0.58 -0.28 0.00 0.45 0.00 0.00 54.58 53.96 2k22 n ASN 61 Cb 0.52 -4.97 0.02 0.00 1.23 0.00 0.00 39.78 36.58 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 -1.36 -0.41 3.64 8.20 0.00 -1.26 -4.93 105.19 109.08 2k22 n GLY 62 Ca -0.20 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.70 -0.01 -0.20 1.61 -0.87 -1.05 -5.14 114.94 105.59 2k22 s ASN 63 Ca 0.43 -0.00 -0.24 0.00 -1.57 0.00 0.00 52.86 51.48 2k22 s ASN 63 Cb -0.22 0.01 -0.01 0.00 -0.02 0.00 0.00 41.25 41.01 2k22 s ASN 63 CO 0.84 -0.01 0.78 0.54 -2.57 0.00 0.00 177.10 176.68 2k22 s ASN 64 N -2.11 6.85 0.56 -1.22 4.22 -1.26 -0.18 114.94 121.80 2k22 s ASN 64 Ca 0.12 1.05 0.26 0.00 -2.14 0.00 0.00 52.86 52.16 2k22 s ASN 64 Cb -0.00 -2.42 1.50 0.00 1.28 0.00 0.00 41.25 41.61 2k22 s ASN 64 CO -0.03 -0.40 2.03 0.16 -2.04 0.00 0.00 177.10 176.82 2k22 h ILE 65 N 5.26 0.59 -0.01 0.54 3.07 -1.83 0.75 117.51 125.88 2k22 h ILE 65 Ca -0.28 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.13 2k22 h ILE 65 Cb 1.12 0.77 -0.00 0.00 -0.27 0.00 0.00 36.82 38.45 2k22 h ILE 65 CO 0.83 0.00 0.01 0.71 -1.05 0.00 0.00 178.15 178.65 2k22 h THR 66 N 0.00 0.70 -0.87 0.16 1.35 -1.86 -1.25 112.91 111.15 2k22 h THR 66 Ca 0.17 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.21 2k22 h THR 66 Cb 0.77 0.99 -0.11 0.00 -1.73 0.00 0.00 68.15 68.07 2k22 h THR 66 CO -0.00 0.00 0.41 -1.28 -0.25 0.00 0.00 175.52 174.40 2k22 h SER 67 N 0.00 0.42 0.00 5.36 0.87 -1.25 -3.40 113.55 115.55 2k22 h SER 67 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2k22 h SER 67 Cb 0.02 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2k22 h SER 67 CO -0.00 0.10 0.00 1.15 -0.53 0.00 0.00 176.83 177.55 2k22 n MET 68 N -4.96 0.00 -4.78 2.24 -0.00 -0.89 -5.09 117.12 103.64 2k22 n MET 68 Ca 0.20 0.00 -0.26 0.00 -0.00 0.00 0.00 57.70 57.63 2k22 n MET 68 Cb 0.55 0.00 -0.16 0.00 -0.00 0.00 0.00 33.22 33.60 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 -0.46 1.96 0.00 3.17 1.02 -0.52 -5.06 119.74 119.84 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 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 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 3.54 -2.07 0.15 -3.33 0.00 -1.22 -3.07 105.19 99.19 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 1.41 0.00 0.00 0.00 173.32 174.73 2k22 h LEU 71 N 0.00 0.00 0.00 0.99 4.07 -1.92 -2.93 115.31 115.52 2k22 h LEU 71 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2k22 h LEU 71 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2k22 h LEU 71 CO 0.00 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 177.83 2k22 n ASP 72 N -2.53 0.00 -4.71 -0.43 9.92 -1.26 -0.77 116.55 116.77 2k22 n ASP 72 Ca 0.04 0.08 -0.42 0.00 -0.53 0.00 0.00 54.79 53.96 2k22 n ASP 72 Cb 0.39 -0.34 -0.03 0.00 -0.64 0.00 0.00 41.12 40.50 2k22 n ASP 72 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2k22 s THR 73 N -2.69 2.34 0.61 -3.53 2.01 -1.11 -4.83 115.64 108.45 2k22 s THR 73 Ca 0.20 0.10 -0.13 0.00 0.31 0.00 0.00 61.69 62.17 2k22 s THR 73 Cb 0.16 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 2k22 s THR 73 CO 0.39 0.00 1.04 -1.83 -0.69 0.00 0.00 174.62 173.54 2k22 s GLU 74 N 1.85 3.39 -0.09 4.92 -1.05 -1.26 -2.12 118.70 124.35 2k22 s GLU 74 Ca 0.77 0.99 -0.09 0.00 -0.15 0.00 0.00 54.97 56.48 2k22 s GLU 74 Cb -0.47 -2.05 0.02 0.00 -0.44 0.00 0.00 34.13 31.19 2k22 s GLU 74 CO 0.34 -0.74 0.25 0.96 0.95 0.00 0.00 175.26 177.02 2k22 s ILE 75 N -2.81 0.01 0.42 1.83 -4.36 -0.82 -4.87 121.20 110.60 2k22 s ILE 75 Ca 0.59 -0.04 0.04 0.00 -0.26 0.00 0.00 60.65 60.98 2k22 s ILE 75 Cb -0.13 -0.37 -0.04 0.00 1.25 0.00 0.00 42.46 43.16 2k22 s ILE 75 CO 0.45 -0.02 0.05 -0.54 0.24 0.00 0.00 174.94 175.11 2k22 s LYS 76 N 0.02 1.95 0.59 0.37 -0.14 -1.26 -4.36 119.74 116.90 2k22 s LYS 76 Ca -0.01 -2.16 0.28 0.00 -1.36 0.00 0.00 55.97 52.72 2k22 s LYS 76 Cb -0.02 -1.20 1.60 0.00 -1.68 0.00 0.00 37.83 36.53 2k22 s LYS 76 CO 0.01 -0.27 2.05 0.38 -0.76 0.00 0.00 175.35 176.76 2k22 h ASP 77 N 1.73 0.00 1.32 2.83 2.03 -2.00 0.25 116.42 122.59 2k22 h ASP 77 Ca -0.41 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 55.76 2k22 h ASP 77 Cb 1.27 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.75 2k22 h ASP 77 CO 0.71 0.00 -0.61 0.44 -1.03 0.00 0.00 179.24 178.75 2k22 h ASP 78 N 0.00 0.00 -4.30 4.15 3.32 -1.95 -3.46 116.42 114.18 2k22 h ASP 78 Ca 0.12 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.66 2k22 h ASP 78 Cb 0.66 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.34 2k22 h ASP 78 CO -0.00 0.61 0.33 -1.81 -1.72 0.00 0.00 179.24 176.64 2k22 s ASP 79 N -6.52 4.59 -0.11 6.45 1.11 0.87 -5.02 116.67 118.03 2k22 s ASP 79 Ca 0.03 1.85 -0.10 0.00 0.18 0.00 0.00 52.55 54.51 2k22 s ASP 79 Cb 0.08 -2.53 0.03 0.00 1.07 0.00 0.00 42.92 41.58 2k22 s ASP 79 CO 0.76 -1.98 0.30 -1.59 1.18 0.00 0.00 175.17 173.84 2k22 s LYS 80 N -4.78 0.33 -0.10 8.23 0.00 -1.26 -4.41 119.74 117.75 2k22 s LYS 80 Ca 0.62 0.44 -0.04 0.00 0.00 0.00 0.00 55.97 56.99 2k22 s LYS 80 Cb -0.18 0.13 -0.04 0.00 0.00 0.00 0.00 37.83 37.75 2k22 s LYS 80 CO 0.54 -0.06 0.07 0.42 0.00 0.00 0.00 175.35 176.32 2k22 s ILE 81 N 0.32 4.87 -0.01 3.79 1.09 -0.38 -0.74 121.20 130.14 2k22 s ILE 81 Ca -0.01 -0.03 0.05 0.00 -1.10 0.00 0.00 60.65 59.55 2k22 s ILE 81 Cb -0.03 -3.09 -0.01 0.00 -1.06 0.00 0.00 42.46 38.27 2k22 s ILE 81 CO -0.01 0.61 -0.15 1.51 -0.10 0.00 0.00 174.94 176.80 2k22 s ASP 82 N -0.94 1.74 -0.17 3.58 -4.77 -0.07 -1.22 116.67 114.82 2k22 s ASP 82 Ca 0.14 -0.27 0.01 0.00 -3.30 0.00 0.00 52.55 49.13 2k22 s ASP 82 Cb -0.12 -0.19 0.02 0.00 -1.09 0.00 0.00 42.92 41.54 2k22 s ASP 82 CO 0.03 0.18 -0.19 -0.22 0.70 0.00 0.00 175.17 175.67 2k22 s LEU 83 N -0.35 2.04 -0.06 2.11 1.98 -1.20 -1.65 118.68 121.55 2k22 s LEU 83 Ca 0.06 -0.61 0.06 0.00 -2.89 0.00 0.00 54.13 50.74 2k22 s LEU 83 Cb -0.06 -1.41 -0.02 0.00 0.66 0.00 0.00 46.19 45.36 2k22 s LEU 83 CO -0.01 0.00 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.87 2k22 s PHE 84 N 1.26 2.49 0.89 5.38 0.08 0.60 -4.16 117.98 124.52 2k22 s PHE 84 Ca 0.03 -0.58 -0.11 0.00 0.12 0.00 0.00 56.93 56.39 2k22 s PHE 84 Cb -0.13 -1.61 0.13 0.00 -0.57 0.00 0.00 43.02 40.84 2k22 s PHE 84 CO -0.11 -0.12 1.09 -1.25 -0.10 0.00 0.00 175.22 174.73 2k22 s PRO 85 N -0.29 1.28 0.55 0.24 0.04 -1.26 -0.95 135.00 134.60 2k22 s PRO 85 Ca 0.01 0.82 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 2k22 s PRO 85 Cb -0.13 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2k22 s PRO 85 CO 0.03 -2.23 1.13 -1.25 0.04 0.00 0.00 177.00 174.72 2k22 s PRO 86 N -4.94 3.33 0.54 0.56 0.04 -1.24 -4.55 135.00 128.75 2k22 s PRO 86 Ca 0.63 1.60 0.25 0.00 0.04 0.00 0.00 61.00 63.52 2k22 s PRO 86 Cb -0.18 -2.00 1.42 0.00 0.04 0.00 0.00 34.50 33.78 2k22 s PRO 86 CO 0.57 -0.86 2.02 -0.39 0.04 0.00 0.00 177.00 178.38 2k22 h VAL 87 N 1.15 0.71 0.10 -0.36 -1.51 -1.93 0.39 116.25 114.80 2k22 h VAL 87 Ca -0.50 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 64.71 2k22 h VAL 87 Cb 1.26 0.77 -0.00 0.00 -2.13 0.00 0.00 31.29 31.19 2k22 h VAL 87 CO 0.57 0.00 -1.17 0.00 -1.23 0.00 0.00 177.57 175.73 2k22 h ALA 88 N 1.75 0.17 -0.08 5.19 0.00 -1.93 -3.33 119.26 121.02 2k22 h ALA 88 Ca 0.20 -0.88 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 2k22 h ALA 88 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2k22 h ALA 88 CO -0.00 1.02 -0.18 0.78 0.00 0.00 0.00 179.25 180.87 2k22 h GLY 89 N 1.87 0.30 1.00 0.00 0.00 -1.34 -3.54 103.07 101.35 2k22 h GLY 89 Ca -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2k22 h GLY 89 CO 0.19 0.32 0.00 0.61 0.00 0.00 0.00 176.54 177.66