#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 2.06 -0.25 1.12 -7.23 0.92 -4.09 120.40 112.93 2k22 s VAL 2 Ca 0.00 -1.03 -0.01 0.00 -1.81 0.00 0.00 61.98 59.14 2k22 s VAL 2 Cb 0.00 -1.78 0.03 0.00 0.56 0.00 0.00 36.38 35.20 2k22 s VAL 2 CO 0.00 0.56 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.39 2k22 s THR 3 N 0.27 2.74 0.23 5.32 2.01 -1.26 -1.16 115.64 123.79 2k22 s THR 3 Ca -0.17 -1.12 0.05 0.00 0.31 0.00 0.00 61.69 60.76 2k22 s THR 3 Cb -0.17 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 2k22 s THR 3 CO 0.08 0.17 0.27 -0.69 -0.69 0.00 0.00 174.62 173.76 2k22 s VAL 4 N 1.29 4.89 -0.09 3.82 1.01 -1.26 -0.32 120.40 129.74 2k22 s VAL 4 Ca -0.01 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.86 2k22 s VAL 4 Cb -0.17 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2k22 s VAL 4 CO -0.05 -0.29 -0.09 -0.13 0.00 0.00 0.00 175.10 174.54 2k22 s ARG 5 N -3.76 2.95 0.01 2.72 1.81 -0.51 -4.65 118.95 117.53 2k22 s ARG 5 Ca 0.33 -0.60 0.03 0.00 -1.72 0.00 0.00 55.73 53.77 2k22 s ARG 5 Cb -0.09 -2.60 -0.01 0.00 -0.45 0.00 0.00 34.95 31.80 2k22 s ARG 5 CO 0.27 0.51 -0.09 0.71 -0.68 0.00 0.00 175.30 176.02 2k22 s TYR 6 N -0.40 0.78 0.05 -0.53 2.02 -1.26 -3.35 117.35 114.66 2k22 s TYR 6 Ca 0.05 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 2k22 s TYR 6 Cb -0.12 -0.49 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 2k22 s TYR 6 CO 0.02 -0.02 0.02 0.66 -1.57 0.00 0.00 175.55 174.67 2k22 n TYR 7 N 2.49 -0.77 0.22 2.71 4.02 -1.26 -4.94 117.16 119.64 2k22 n TYR 7 Ca -0.16 -0.21 0.18 0.00 -0.01 0.00 0.00 57.90 57.70 2k22 n TYR 7 Cb 0.56 -0.04 0.86 0.00 -0.02 0.00 0.00 39.34 40.70 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 0.86 1.70 -0.11 -0.72 0.00 -2.00 0.86 119.26 119.85 2k22 h ALA 8 Ca -0.03 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2k22 h ALA 8 Cb 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2k22 h ALA 8 CO 0.05 -0.32 -0.66 1.79 0.00 0.00 0.00 179.25 180.12 2k22 h THR 9 N 0.00 1.36 -0.00 0.00 1.35 -2.00 -3.09 112.91 110.52 2k22 h THR 9 Ca 0.08 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 63.93 2k22 h THR 9 Cb 0.55 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2k22 h THR 9 CO -0.00 0.61 -0.58 0.18 -0.25 0.00 0.00 175.52 175.48 2k22 n LEU 10 N -3.88 0.86 0.12 3.87 7.99 0.08 -4.37 117.00 121.67 2k22 n LEU 10 Ca -0.04 -0.24 -0.15 0.00 -0.01 0.00 0.00 56.01 55.57 2k22 n LEU 10 Cb 0.66 -0.14 -0.08 0.00 -0.11 0.00 0.00 43.42 43.75 2k22 n LEU 10 CO 0.47 0.19 0.57 -0.09 -1.51 0.00 0.00 177.39 177.02 2k22 h ARG 11 N 0.44 -0.67 0.00 3.23 2.43 -0.87 0.38 114.38 119.32 2k22 h ARG 11 Ca 0.00 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2k22 h ARG 11 Cb 0.52 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2k22 h ARG 11 CO 0.00 -0.45 0.00 -0.35 -1.51 0.00 0.00 179.97 177.66 2k22 n PRO 12 N -5.48 0.11 -0.01 0.20 -0.04 -1.26 -1.42 135.00 127.11 2k22 n PRO 12 Ca -0.08 0.20 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 2k22 n PRO 12 Cb 0.39 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.27 0.28 0.52 5.41 -0.18 -4.43 119.36 119.85 2k22 n ILE 13 Ca 0.05 0.44 0.12 0.00 1.00 0.00 0.00 62.75 64.37 2k22 n ILE 13 Cb 0.14 -1.66 0.57 0.00 -0.71 0.00 0.00 39.64 37.98 2k22 n ILE 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k22 h THR 14 N -0.19 0.00 -2.14 1.39 1.03 -0.42 -3.46 112.91 109.12 2k22 h THR 14 Ca 0.00 -0.13 -0.42 0.00 -0.01 0.00 0.00 66.41 65.85 2k22 h THR 14 Cb 0.14 0.77 -0.08 0.00 -1.07 0.00 0.00 68.15 67.90 2k22 h THR 14 CO 0.00 0.00 -0.47 0.29 -0.01 0.00 0.00 175.52 175.33 2k22 n LYS 15 N -2.32 -1.59 -3.88 0.00 5.02 -0.51 -4.92 118.16 109.96 2k22 n LYS 15 Ca 0.00 1.10 -0.07 0.00 -2.02 0.00 0.00 58.31 57.32 2k22 n LYS 15 Cb 0.14 -5.64 -0.02 0.00 -0.02 0.00 0.00 35.03 29.49 2k22 n LYS 15 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2k22 s LYS 16 N -4.48 1.80 0.00 1.97 2.47 -1.24 -5.06 119.74 115.20 2k22 s LYS 16 Ca 0.00 -1.07 0.00 0.00 -1.56 0.00 0.00 55.97 53.34 2k22 s LYS 16 Cb 0.00 0.59 0.00 0.00 -1.46 0.00 0.00 37.83 36.96 2k22 s LYS 16 CO 0.00 -0.82 0.06 1.63 0.16 0.00 0.00 175.35 176.38 2k22 n LYS 17 N -0.46 0.00 -3.67 4.03 5.02 -1.26 -4.67 118.16 117.15 2k22 n LYS 17 Ca -0.04 0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 2k22 n LYS 17 Cb 0.59 -0.66 -0.08 0.00 -0.02 0.00 0.00 35.03 34.87 2k22 n LYS 17 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2k22 s GLU 18 N -0.33 0.71 0.17 1.97 2.56 -1.26 -4.55 118.70 117.97 2k22 s GLU 18 Ca 0.00 0.49 -0.19 0.00 0.00 0.00 0.00 54.97 55.27 2k22 s GLU 18 Cb 0.00 0.34 0.04 0.00 2.00 0.00 0.00 34.13 36.51 2k22 s GLU 18 CO 0.00 -0.14 0.52 -2.00 -0.56 0.00 0.00 175.26 173.08 2k22 s GLU 19 N -0.28 1.29 0.28 4.30 2.56 -1.26 -5.14 118.70 120.46 2k22 s GLU 19 Ca -0.04 -0.73 0.08 0.00 0.00 0.00 0.00 54.97 54.28 2k22 s GLU 19 Cb -0.03 0.53 -0.04 0.00 2.00 0.00 0.00 34.13 36.59 2k22 s GLU 19 CO 0.03 -0.55 0.13 0.95 -0.56 0.00 0.00 175.26 175.27 2k22 s THR 20 N -3.83 3.72 0.02 -1.70 -4.23 -1.26 -4.11 115.64 104.25 2k22 s THR 20 Ca 0.06 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 2k22 s THR 20 Cb -0.00 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 2k22 s THR 20 CO -0.07 -0.30 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.20 2k22 s PHE 21 N -2.28 1.24 0.11 3.99 0.08 -0.31 -4.93 117.98 115.88 2k22 s PHE 21 Ca 0.34 -0.30 0.09 0.00 0.12 0.00 0.00 56.93 57.18 2k22 s PHE 21 Cb -0.06 -0.76 -0.04 0.00 -0.57 0.00 0.00 43.02 41.59 2k22 s PHE 21 CO 0.23 0.01 -0.22 0.54 -0.10 0.00 0.00 175.22 175.69 2k22 s ASN 22 N -0.79 2.66 0.00 1.36 2.20 -1.26 -0.05 114.94 119.05 2k22 s ASN 22 Ca 0.03 -0.70 0.00 0.00 -0.94 0.00 0.00 52.86 51.25 2k22 s ASN 22 Cb -0.07 -0.15 0.00 0.00 -2.00 0.00 0.00 41.25 39.03 2k22 s ASN 22 CO 0.01 0.07 0.00 0.61 -2.94 0.00 0.00 177.10 174.85 2k22 n GLY 23 N 1.04 0.85 3.50 0.45 0.00 -1.26 -5.03 105.19 104.73 2k22 n GLY 23 Ca -0.19 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 3.08 -0.92 -0.61 -1.09 -1.26 -5.04 121.20 115.37 2k22 s ILE 24 Ca 0.00 -0.96 -0.01 0.00 -2.23 0.00 0.00 60.65 57.45 2k22 s ILE 24 Cb 0.00 -2.29 0.34 0.00 -1.58 0.00 0.00 42.46 38.93 2k22 s ILE 24 CO 0.00 0.42 1.87 -1.20 -1.23 0.00 0.00 174.94 174.79 2k22 n SER 25 N 1.74 7.27 -3.76 3.58 7.64 -1.26 -4.82 113.62 124.01 2k22 n SER 25 Ca -0.16 -3.76 -0.10 0.00 1.01 0.00 0.00 58.87 55.86 2k22 n SER 25 Cb 0.52 -1.08 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 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 -4.17 0.88 0.39 1.43 2.20 -1.26 -1.41 119.74 117.81 2k22 s LYS 26 Ca 0.45 -0.71 0.21 0.00 -0.36 0.00 0.00 55.97 55.57 2k22 s LYS 26 Cb 0.31 0.38 0.58 0.00 -1.51 0.00 0.00 37.83 37.59 2k22 s LYS 26 CO -0.26 -0.30 1.68 0.82 -0.36 0.00 0.00 175.35 176.93 2k22 h ILE 27 N 2.85 0.55 0.45 5.43 1.08 -1.63 -2.50 117.51 123.74 2k22 h ILE 27 Ca -0.33 -1.43 -0.02 0.00 -0.39 0.00 0.00 64.86 62.69 2k22 h ILE 27 Cb 1.21 2.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.97 2k22 h ILE 27 CO 0.50 0.27 -0.22 -1.28 -0.69 0.00 0.00 178.15 176.73 2k22 h SER 28 N 0.00 -0.51 0.62 1.72 0.87 -1.78 -0.37 113.55 114.09 2k22 h SER 28 Ca -0.00 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.39 2k22 h SER 28 Cb 0.98 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 2k22 h SER 28 CO 0.04 -0.36 -0.79 -0.08 -0.53 0.00 0.00 176.83 175.10 2k22 h GLU 29 N -0.62 0.13 0.09 2.24 4.57 -1.91 -2.18 114.58 116.90 2k22 h GLU 29 Ca -0.06 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2k22 h GLU 29 Cb 0.47 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2k22 h GLU 29 CO 0.10 0.86 -0.04 1.25 -1.18 0.00 0.00 179.01 180.00 2k22 h LEU 30 N 0.08 -0.10 -0.67 1.64 5.85 -1.32 -1.03 115.31 119.75 2k22 h LEU 30 Ca -0.03 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 2k22 h LEU 30 Cb 1.39 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2k22 h LEU 30 CO 0.12 -0.04 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.49 2k22 h LEU 31 N -0.15 0.20 0.08 2.25 3.38 -1.13 -0.66 115.31 119.28 2k22 h LEU 31 Ca -0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2k22 h LEU 31 Cb 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2k22 h LEU 31 CO 0.02 0.76 -0.04 -0.08 0.09 0.00 0.00 178.44 179.20 2k22 h GLU 32 N 0.13 -0.10 -0.08 1.13 4.57 -1.14 0.26 114.58 119.34 2k22 h GLU 32 Ca -0.01 0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 2k22 h GLU 32 Cb 1.11 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.74 2k22 h GLU 32 CO 0.09 -0.00 -0.61 0.07 -1.18 0.00 0.00 179.01 177.38 2k22 h ARG 33 N -0.17 0.56 -0.14 1.92 0.11 -1.21 -3.19 114.38 112.25 2k22 h ARG 33 Ca -0.01 -0.49 -0.02 0.00 0.10 0.00 0.00 59.98 59.56 2k22 h ARG 33 Cb 0.14 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 2k22 h ARG 33 CO 0.02 1.12 -0.02 -0.07 0.10 0.00 0.00 179.97 181.11 2k22 h LEU 34 N 0.16 0.19 -0.01 0.08 3.38 -1.09 0.19 115.31 118.21 2k22 h LEU 34 Ca -0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2k22 h LEU 34 Cb 1.27 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2k22 h LEU 34 CO 0.12 0.25 0.01 0.50 0.09 0.00 0.00 178.44 179.41 2k22 h LYS 35 N 0.20 0.02 0.02 1.13 3.64 -0.46 -2.43 116.57 118.69 2k22 h LYS 35 Ca 0.05 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.19 2k22 h LYS 35 Cb 0.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2k22 h LYS 35 CO 0.01 0.08 -0.99 0.28 -2.27 0.00 0.00 179.45 176.55 2k22 h VAL 36 N -0.05 1.40 -0.40 2.00 2.07 -1.50 0.38 116.25 120.15 2k22 h VAL 36 Ca 0.00 -2.49 0.08 0.00 0.82 0.00 0.00 66.70 65.11 2k22 h VAL 36 Cb 0.06 2.48 -0.08 0.00 -1.52 0.00 0.00 31.29 32.23 2k22 h VAL 36 CO -0.00 0.74 -0.13 -0.33 0.02 0.00 0.00 177.57 177.87 2k22 h GLU 37 N 0.23 -0.04 0.08 1.57 4.39 -0.54 -3.06 114.58 117.21 2k22 h GLU 37 Ca -0.09 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.25 2k22 h GLU 37 Cb 1.64 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.26 2k22 h GLU 37 CO 0.17 -0.03 -2.03 0.66 -1.16 0.00 0.00 179.01 176.63 2k22 n TYR 38 N -5.33 0.99 0.00 4.33 4.01 -0.92 -5.07 117.16 115.17 2k22 n TYR 38 Ca 0.02 0.24 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 2k22 n TYR 38 Cb 0.24 -1.14 0.00 0.00 -0.31 0.00 0.00 39.34 38.13 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 1.94 2.69 0.40 2.72 0.00 0.13 -4.74 105.19 108.34 2k22 n GLY 39 Ca -0.31 -2.08 0.21 0.00 0.00 0.00 0.00 46.02 43.83 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 0.14 -0.75 1.61 0.02 -1.90 -0.96 113.55 111.71 2k22 h SER 40 Ca 0.00 0.01 0.15 0.00 -0.84 0.00 0.00 61.79 61.11 2k22 h SER 40 Cb 0.00 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 62.43 2k22 h SER 40 CO 0.00 0.06 0.27 -0.33 -1.14 0.00 0.00 176.83 175.70 2k22 h GLU 41 N 0.14 0.39 -0.03 3.45 4.39 -1.89 0.26 114.58 121.29 2k22 h GLU 41 Ca 0.34 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 2k22 h GLU 41 Cb 1.16 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2k22 h GLU 41 CO -0.05 0.26 -0.02 0.35 -1.16 0.00 0.00 179.01 178.39 2k22 h PHE 42 N 0.40 0.08 -0.81 4.33 3.04 -1.46 0.26 116.94 122.79 2k22 h PHE 42 Ca 0.41 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.42 2k22 h PHE 42 Cb 0.64 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 39.07 2k22 h PHE 42 CO -0.18 0.47 0.47 1.15 -2.02 0.00 0.00 178.31 178.20 2k22 h THR 43 N -0.33 0.96 -0.01 4.41 2.02 -1.28 0.26 112.91 118.93 2k22 h THR 43 Ca 0.01 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 2k22 h THR 43 Cb 0.45 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2k22 h THR 43 CO 0.01 0.15 -0.16 0.11 0.37 0.00 0.00 175.52 175.99 2k22 h LYS 44 N 0.83 0.13 0.00 6.66 1.57 -0.50 0.32 116.57 125.59 2k22 h LYS 44 Ca 0.37 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2k22 h LYS 44 Cb 0.27 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2k22 h LYS 44 CO -0.21 0.84 -0.01 0.37 -0.57 0.00 0.00 179.45 179.87 2k22 h GLN 45 N -0.53 0.00 -0.13 3.15 5.75 -0.20 -0.73 115.11 122.42 2k22 h GLN 45 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2k22 h GLN 45 Cb 0.89 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.44 2k22 h GLN 45 CO 0.03 0.01 0.00 -1.33 -2.65 0.00 0.00 178.83 174.89 2k22 n MET 46 N -3.33 1.60 -2.93 1.69 2.81 0.88 -4.63 117.12 113.22 2k22 n MET 46 Ca -0.03 -1.45 0.04 0.00 -1.81 0.00 0.00 57.70 54.45 2k22 n MET 46 Cb 0.10 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 -0.83 -0.33 -0.90 2.03 5.04 0.11 -4.65 117.35 117.83 2k22 s TYR 47 Ca 0.12 0.11 -0.17 0.00 -2.44 0.00 0.00 57.07 54.70 2k22 s TYR 47 Cb 0.07 0.06 0.16 0.00 0.35 0.00 0.00 41.96 42.60 2k22 s TYR 47 CO 0.10 -0.21 1.00 0.34 -1.34 0.00 0.00 175.55 175.45 2k22 s ASP 48 N 2.41 6.68 0.00 4.32 2.15 0.21 -3.78 116.67 128.66 2k22 s ASP 48 Ca 0.21 -2.28 0.00 0.00 0.43 0.00 0.00 52.55 50.91 2k22 s ASP 48 Cb 0.01 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 2k22 s ASP 48 CO -0.19 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.54 2k22 n GLY 49 N 4.95 1.36 0.00 2.66 0.00 -1.26 -3.63 105.19 109.27 2k22 n GLY 49 Ca 0.21 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 3.74 0.54 -3.78 1.61 4.05 -1.26 -5.07 115.26 115.09 2k22 n ASN 50 Ca 0.00 -0.79 -0.10 0.00 0.45 0.00 0.00 54.58 54.14 2k22 n ASN 50 Cb 0.00 0.30 -0.05 0.00 1.23 0.00 0.00 39.78 41.26 2k22 n ASN 50 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 2k22 s ASN 51 N -0.30 -0.15 0.73 1.20 -0.87 -1.24 -5.13 114.94 109.18 2k22 s ASN 51 Ca 0.00 -0.55 -0.16 0.00 -1.57 0.00 0.00 52.86 50.58 2k22 s ASN 51 Cb 0.00 0.50 -0.04 0.00 -0.02 0.00 0.00 41.25 41.68 2k22 s ASN 51 CO 0.00 -0.93 0.48 0.18 -2.57 0.00 0.00 177.10 174.26 2k22 n LEU 52 N -0.26 0.53 0.00 0.60 7.99 -1.26 -0.62 117.00 123.98 2k22 n LEU 52 Ca -0.11 0.58 -0.01 0.00 -0.01 0.00 0.00 56.01 56.45 2k22 n LEU 52 Cb 0.63 -1.20 -0.00 0.00 -0.11 0.00 0.00 43.42 42.74 2k22 n LEU 52 CO 0.19 -3.24 0.05 0.15 -1.51 0.00 0.00 177.39 173.03 2k22 h PHE 53 N -0.42 -0.06 0.00 -1.77 3.57 -1.82 -3.41 116.94 113.03 2k22 h PHE 53 Ca -0.45 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.98 2k22 h PHE 53 Cb 1.35 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 2k22 h PHE 53 CO 0.34 -0.04 -0.54 -0.22 -2.23 0.00 0.00 178.31 175.62 2k22 h LYS 54 N -0.53 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 0.39 0.00 0.09 -3.45 0.00 0.00 179.45 176.49 2k22 n ASN 55 N -4.60 0.00 -4.77 4.20 3.02 -1.26 -4.98 115.26 106.86 2k22 n ASN 55 Ca -0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.02 2k22 n ASN 55 Cb 0.35 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 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 2.63 -0.27 2.41 1.01 -1.26 -3.62 120.40 121.30 2k22 s VAL 56 Ca 0.00 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.64 2k22 s VAL 56 Cb 0.00 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 33.05 2k22 s VAL 56 CO 0.00 0.15 -0.04 -0.63 0.00 0.00 0.00 175.10 174.58 2k22 s ILE 57 N -1.14 1.82 -0.04 2.22 1.01 0.31 -4.90 121.20 120.47 2k22 s ILE 57 Ca 0.50 -1.56 0.05 0.00 0.00 0.00 0.00 60.65 59.63 2k22 s ILE 57 Cb -0.40 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 2k22 s ILE 57 CO 0.54 -0.21 -0.20 -0.51 0.00 0.00 0.00 174.94 174.56 2k22 s ILE 58 N 1.23 1.66 0.05 2.92 2.07 -1.26 -0.11 121.20 127.76 2k22 s ILE 58 Ca -0.03 -0.85 0.09 0.00 -1.41 0.00 0.00 60.65 58.45 2k22 s ILE 58 Cb -0.19 -1.41 -0.03 0.00 0.13 0.00 0.00 42.46 40.96 2k22 s ILE 58 CO -0.07 0.47 -0.25 -0.76 -1.91 0.00 0.00 174.94 172.42 2k22 s LEU 59 N -0.12 2.18 -0.20 8.50 1.43 0.54 -4.80 118.68 126.22 2k22 s LEU 59 Ca -0.02 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 2k22 s LEU 59 Cb -0.12 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 2k22 s LEU 59 CO 0.02 0.23 -0.05 -0.69 0.23 0.00 0.00 176.35 176.08 2k22 s VAL 60 N -0.83 3.40 -1.42 -1.59 1.01 0.57 -0.63 120.40 120.91 2k22 s VAL 60 Ca 0.11 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2k22 s VAL 60 Cb -0.10 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.82 2k22 s VAL 60 CO 0.02 0.45 0.65 -3.20 0.00 0.00 0.00 175.10 173.03 2k22 n ASN 61 N 4.41 -4.66 -1.98 3.32 5.15 0.58 -1.32 115.26 120.76 2k22 n ASN 61 Ca -0.18 -0.46 -0.11 0.00 -0.60 0.00 0.00 54.58 53.23 2k22 n ASN 61 Cb 0.51 -3.79 0.04 0.00 -0.53 0.00 0.00 39.78 36.01 2k22 n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k22 n GLY 62 N -1.41 0.23 3.65 8.20 0.00 -1.26 -4.94 105.19 109.67 2k22 n GLY 62 Ca -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.20 -0.02 0.02 1.61 0.02 -0.44 -5.14 114.94 107.80 2k22 s ASN 63 Ca 0.25 0.03 -0.30 0.00 -1.02 0.00 0.00 52.86 51.82 2k22 s ASN 63 Cb -0.11 0.03 -0.05 0.00 0.02 0.00 0.00 41.25 41.14 2k22 s ASN 63 CO 0.34 -0.01 1.25 0.54 0.02 0.00 0.00 177.10 179.24 2k22 s ASN 64 N -0.27 7.01 0.59 -1.22 2.20 -1.26 -0.32 114.94 121.67 2k22 s ASN 64 Ca 0.08 1.99 0.28 0.00 -0.94 0.00 0.00 52.86 54.28 2k22 s ASN 64 Cb -0.04 -2.57 1.59 0.00 -2.00 0.00 0.00 41.25 38.23 2k22 s ASN 64 CO -0.14 -0.56 2.04 0.16 -2.94 0.00 0.00 177.10 175.65 2k22 h ILE 65 N 4.72 0.45 0.00 0.54 3.07 -1.86 0.86 117.51 125.28 2k22 h ILE 65 Ca -0.39 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.02 2k22 h ILE 65 Cb 1.19 0.77 -0.00 0.00 -0.27 0.00 0.00 36.82 38.51 2k22 h ILE 65 CO 0.85 0.00 -0.03 0.71 -1.05 0.00 0.00 178.15 178.64 2k22 h THR 66 N 0.00 0.68 -0.76 0.16 1.35 -1.85 -1.64 112.91 110.85 2k22 h THR 66 Ca 0.13 -0.10 0.17 0.00 -0.55 0.00 0.00 66.41 66.05 2k22 h THR 66 Cb 0.70 1.06 -0.11 0.00 -1.73 0.00 0.00 68.15 68.07 2k22 h THR 66 CO -0.00 0.03 0.19 -1.28 -0.25 0.00 0.00 175.52 174.21 2k22 h SER 67 N 0.00 0.03 0.00 5.36 0.87 -1.21 -3.40 113.55 115.20 2k22 h SER 67 Ca -0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2k22 h SER 67 Cb 0.06 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2k22 h SER 67 CO 0.00 -0.05 0.00 1.15 -0.53 0.00 0.00 176.83 177.41 2k22 n MET 68 N -5.16 0.00 -4.75 2.24 -0.00 -0.99 -5.08 117.12 103.38 2k22 n MET 68 Ca 0.15 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.56 2k22 n MET 68 Cb 0.49 0.00 -0.17 0.00 -0.00 0.00 0.00 33.22 33.54 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 2.43 0.00 3.17 -0.14 -0.65 -5.06 119.74 118.99 2k22 s LYS 69 Ca 0.00 -0.65 0.00 0.00 -1.36 0.00 0.00 55.97 53.96 2k22 s LYS 69 Cb 0.00 -1.95 0.00 0.00 -1.68 0.00 0.00 37.83 34.20 2k22 s LYS 69 CO 0.00 0.04 0.00 0.41 -0.76 0.00 0.00 175.35 175.04 2k22 n GLY 70 N 3.87 -1.88 0.15 -3.33 0.00 -1.20 -2.92 105.19 99.89 2k22 n GLY 70 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2k22 n GLY 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k22 h LEU 71 N 0.00 0.00 0.00 0.99 5.85 -1.95 -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 -2.50 0.00 -4.78 1.25 9.92 -1.26 -2.82 116.55 116.36 2k22 n ASP 72 Ca 0.04 0.01 -0.41 0.00 -0.53 0.00 0.00 54.79 53.90 2k22 n ASP 72 Cb 0.40 -0.32 -0.00 0.00 -0.64 0.00 0.00 41.12 40.55 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 -2.64 2.11 -0.13 -3.53 2.01 -1.11 -4.90 115.64 107.45 2k22 s THR 73 Ca 0.23 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.26 2k22 s THR 73 Cb 0.17 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2k22 s THR 73 CO 0.41 0.03 0.15 -1.83 -0.69 0.00 0.00 174.62 172.68 2k22 s GLU 74 N -2.03 3.61 -0.19 4.92 -1.05 -1.26 -2.49 118.70 120.20 2k22 s GLU 74 Ca 0.53 -0.12 0.01 0.00 -0.15 0.00 0.00 54.97 55.24 2k22 s GLU 74 Cb -0.46 -3.24 0.04 0.00 -0.44 0.00 0.00 34.13 30.03 2k22 s GLU 74 CO 0.62 0.68 -0.13 0.96 0.95 0.00 0.00 175.26 178.33 2k22 s ILE 75 N -0.75 1.80 1.12 1.83 -4.36 -0.50 -4.95 121.20 115.39 2k22 s ILE 75 Ca 0.14 -1.01 -0.16 0.00 -0.26 0.00 0.00 60.65 59.36 2k22 s ILE 75 Cb -0.12 -1.79 0.25 0.00 1.25 0.00 0.00 42.46 42.05 2k22 s ILE 75 CO 0.03 0.28 1.10 -0.54 0.24 0.00 0.00 174.94 176.05 2k22 s LYS 76 N 1.35 -0.53 0.32 0.37 -0.14 -1.26 -4.13 119.74 115.71 2k22 s LYS 76 Ca 0.00 0.18 0.07 0.00 -1.36 0.00 0.00 55.97 54.86 2k22 s LYS 76 Cb -0.15 -1.65 0.55 0.00 -1.68 0.00 0.00 37.83 34.89 2k22 s LYS 76 CO -0.09 -3.31 1.77 0.38 -0.76 0.00 0.00 175.35 173.35 2k22 h ASP 77 N -2.30 0.29 1.14 2.83 3.04 -1.97 -2.73 116.42 116.73 2k22 h ASP 77 Ca -0.50 -0.10 -0.16 0.00 -3.24 0.00 0.00 57.03 53.03 2k22 h ASP 77 Cb 1.31 -0.08 -0.02 0.00 -1.04 0.00 0.00 39.33 39.50 2k22 h ASP 77 CO 0.45 0.58 -0.78 -0.78 -2.04 0.00 0.00 179.24 176.67 2k22 h ASP 78 N 0.26 0.00 -3.31 4.15 3.58 -1.93 -3.37 116.42 115.80 2k22 h ASP 78 Ca 0.04 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.94 2k22 h ASP 78 Cb 0.64 0.00 0.19 0.00 1.72 0.00 0.00 39.33 41.88 2k22 h ASP 78 CO 0.05 0.78 -0.41 0.47 -2.88 0.00 0.00 179.24 177.24 2k22 n ASP 79 N -3.34 -1.34 -3.82 2.28 9.92 -1.03 -4.98 116.55 114.24 2k22 n ASP 79 Ca 0.01 0.52 -0.13 0.00 -0.53 0.00 0.00 54.79 54.66 2k22 n ASP 79 Cb 0.83 -1.23 -0.13 0.00 -0.64 0.00 0.00 41.12 39.95 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 -3.07 0.10 -0.10 -1.24 -2.85 -1.26 -4.14 119.74 107.19 2k22 s LYS 80 Ca 0.63 0.18 -0.04 0.00 -1.00 0.00 0.00 55.97 55.75 2k22 s LYS 80 Cb -0.31 0.00 -0.04 0.00 -2.06 0.00 0.00 37.83 35.43 2k22 s LYS 80 CO 0.60 -0.05 0.06 0.42 0.10 0.00 0.00 175.35 176.48 2k22 s ILE 81 N 0.30 4.80 -0.06 3.79 1.09 0.57 -0.31 121.20 131.38 2k22 s ILE 81 Ca -0.02 -0.07 0.04 0.00 -1.10 0.00 0.00 60.65 59.50 2k22 s ILE 81 Cb -0.03 -3.06 0.00 0.00 -1.06 0.00 0.00 42.46 38.31 2k22 s ILE 81 CO -0.01 0.60 -0.18 -1.81 -0.10 0.00 0.00 174.94 173.44 2k22 s ASP 82 N -0.97 2.30 -0.09 3.58 1.11 0.19 -1.42 116.67 121.36 2k22 s ASP 82 Ca 0.14 -0.39 0.04 0.00 0.18 0.00 0.00 52.55 52.53 2k22 s ASP 82 Cb -0.12 -0.83 -0.00 0.00 1.07 0.00 0.00 42.92 43.04 2k22 s ASP 82 CO 0.03 0.13 -0.24 -0.22 1.18 0.00 0.00 175.17 176.06 2k22 s LEU 83 N 0.25 2.07 0.01 1.23 2.96 -1.21 -0.34 118.68 123.65 2k22 s LEU 83 Ca -0.10 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.32 2k22 s LEU 83 Cb -0.14 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 2k22 s LEU 83 CO 0.04 0.17 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.73 2k22 s PHE 84 N 0.27 1.29 0.97 5.38 0.40 0.84 -4.65 117.98 122.49 2k22 s PHE 84 Ca -0.16 -0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 55.76 2k22 s PHE 84 Cb -0.17 -0.80 0.17 0.00 0.51 0.00 0.00 43.02 42.72 2k22 s PHE 84 CO 0.08 0.01 1.09 -1.25 0.70 0.00 0.00 175.22 175.85 2k22 s PRO 85 N -0.67 0.68 0.58 0.24 0.04 -1.26 -0.53 135.00 134.08 2k22 s PRO 85 Ca 0.04 0.61 -0.18 0.00 0.04 0.00 0.00 61.00 61.52 2k22 s PRO 85 Cb -0.06 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2k22 s PRO 85 CO 0.00 -2.59 1.12 -1.25 0.04 0.00 0.00 177.00 174.33 2k22 s PRO 86 N -4.95 3.18 0.53 0.56 0.04 -1.24 -4.43 135.00 128.69 2k22 s PRO 86 Ca 0.65 1.54 0.30 0.00 0.04 0.00 0.00 61.00 63.52 2k22 s PRO 86 Cb -0.18 -1.99 1.44 0.00 0.04 0.00 0.00 34.50 33.80 2k22 s PRO 86 CO 0.57 -0.97 1.90 -0.39 0.04 0.00 0.00 177.00 178.15 2k22 h VAL 87 N 0.83 0.59 0.00 -0.36 -1.51 -1.94 -3.05 116.25 110.79 2k22 h VAL 87 Ca -0.49 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2k22 h VAL 87 Cb 1.26 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 2k22 h VAL 87 CO 0.56 0.01 -0.14 0.00 -1.23 0.00 0.00 177.57 176.77 2k22 h ALA 88 N 1.58 0.00 -2.70 5.19 0.00 -1.94 -3.47 119.26 117.93 2k22 h ALA 88 Ca 0.41 -0.26 -0.55 0.00 0.00 0.00 0.00 54.91 54.50 2k22 h ALA 88 Cb 1.58 0.14 0.10 0.00 0.00 0.00 0.00 17.79 19.61 2k22 h ALA 88 CO -0.02 0.14 0.68 0.41 0.00 0.00 0.00 179.25 180.46 2k22 n GLY 89 N 1.75 0.95 0.00 0.00 0.00 -1.15 -5.21 105.19 101.53 2k22 n GLY 89 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93