#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 0.35 -0.09 1.12 -7.23 0.88 -3.44 120.40 111.99 2k22 s VAL 2 Ca 0.00 -0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.16 2k22 s VAL 2 Cb 0.00 -0.39 -0.02 0.00 0.56 0.00 0.00 36.38 36.53 2k22 s VAL 2 CO 0.00 0.17 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.90 2k22 s THR 3 N 0.84 2.75 0.06 5.32 2.01 -1.26 -1.47 115.64 123.88 2k22 s THR 3 Ca -0.10 -0.80 0.08 0.00 0.31 0.00 0.00 61.69 61.18 2k22 s THR 3 Cb -0.13 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 2k22 s THR 3 CO -0.01 0.56 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.56 2k22 s VAL 4 N -0.09 1.86 0.20 3.82 1.01 -1.25 -0.07 120.40 125.87 2k22 s VAL 4 Ca -0.03 -1.34 0.11 0.00 0.00 0.00 0.00 61.98 60.71 2k22 s VAL 4 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2k22 s VAL 4 CO 0.04 0.21 -0.20 -0.60 0.00 0.00 0.00 175.10 174.55 2k22 s ARG 5 N -1.36 1.69 -0.08 2.72 3.52 -1.09 -4.63 118.95 119.72 2k22 s ARG 5 Ca 0.09 -1.48 -0.04 0.00 -0.13 0.00 0.00 55.73 54.17 2k22 s ARG 5 Cb -0.09 -1.92 0.04 0.00 -1.56 0.00 0.00 34.95 31.41 2k22 s ARG 5 CO 0.02 0.40 0.19 0.71 -0.81 0.00 0.00 175.30 175.81 2k22 s TYR 6 N -1.77 -0.23 0.81 5.12 2.02 -1.26 -3.09 117.35 118.95 2k22 s TYR 6 Ca 0.23 0.58 -0.05 0.00 -0.37 0.00 0.00 57.07 57.46 2k22 s TYR 6 Cb -0.08 -0.00 0.16 0.00 -0.40 0.00 0.00 41.96 41.64 2k22 s TYR 6 CO 0.12 -0.17 1.11 0.71 -1.57 0.00 0.00 175.55 175.75 2k22 s TYR 7 N 0.95 1.44 0.55 2.71 1.51 -1.26 -4.89 117.35 118.36 2k22 s TYR 7 Ca -0.07 -0.14 0.29 0.00 -1.01 0.00 0.00 57.07 56.13 2k22 s TYR 7 Cb -0.09 -3.35 1.46 0.00 -0.11 0.00 0.00 41.96 39.87 2k22 s TYR 7 CO -0.05 -2.08 1.93 0.00 -1.11 0.00 0.00 175.55 174.24 2k22 h ALA 8 N -0.92 2.48 -0.19 3.71 0.00 -1.99 0.19 119.26 122.54 2k22 h ALA 8 Ca -0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2k22 h ALA 8 Cb 1.25 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2k22 h ALA 8 CO 0.38 -0.81 0.06 1.79 0.00 0.00 0.00 179.25 180.67 2k22 h THR 9 N 0.00 1.09 -0.55 0.00 1.35 -2.00 -1.59 112.91 111.21 2k22 h THR 9 Ca 0.29 -0.32 -0.17 0.00 -0.55 0.00 0.00 66.41 65.67 2k22 h THR 9 Cb 1.27 0.89 -0.10 0.00 -1.73 0.00 0.00 68.15 68.48 2k22 h THR 9 CO -0.00 0.11 0.15 0.18 -0.25 0.00 0.00 175.52 175.71 2k22 n LEU 10 N -4.43 5.16 0.45 3.87 4.32 0.65 -4.66 117.00 122.36 2k22 n LEU 10 Ca -0.00 -3.30 -0.19 0.00 -0.02 0.00 0.00 56.01 52.50 2k22 n LEU 10 Cb 0.13 -0.68 -0.09 0.00 -1.62 0.00 0.00 43.42 41.17 2k22 n LEU 10 CO 0.36 0.88 0.56 -0.09 -1.22 0.00 0.00 177.39 177.87 2k22 h ARG 11 N 2.04 -1.09 0.00 3.23 2.43 -1.11 0.25 114.38 120.12 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 2.00 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 31.79 2k22 h ARG 11 CO 0.55 -0.72 0.00 -0.35 -1.51 0.00 0.00 179.97 177.94 2k22 n PRO 12 N -5.56 0.04 -0.07 0.20 -0.04 -1.26 -0.07 135.00 128.24 2k22 n PRO 12 Ca -0.15 0.24 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 2k22 n PRO 12 Cb 0.45 -1.50 -0.12 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 -1.46 1.62 1.14 0.52 5.41 -1.01 -4.32 119.36 121.26 2k22 n ILE 13 Ca 0.04 -0.43 0.12 0.00 1.00 0.00 0.00 62.75 63.49 2k22 n ILE 13 Cb 0.16 -1.78 0.25 0.00 -0.71 0.00 0.00 39.64 37.56 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 -3.82 0.00 -2.15 1.39 5.66 0.84 -4.89 114.28 111.31 2k22 n THR 14 Ca -0.38 -0.11 -0.17 0.00 -3.05 0.00 0.00 64.05 60.33 2k22 n THR 14 Cb 0.91 0.55 -0.02 0.00 -1.55 0.00 0.00 70.33 70.22 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 -0.79 -1.33 -3.63 1.09 5.02 0.90 -2.91 118.16 116.51 2k22 n LYS 15 Ca 0.10 0.89 -0.25 0.00 -2.02 0.00 0.00 58.31 57.03 2k22 n LYS 15 Cb 0.36 -5.30 0.04 0.00 -0.02 0.00 0.00 35.03 30.12 2k22 n LYS 15 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k22 n LYS 16 N -2.62 -2.73 -3.58 1.97 4.81 -1.01 -5.00 118.16 110.01 2k22 n LYS 16 Ca -0.20 0.58 -0.06 0.00 -0.87 0.00 0.00 58.31 57.76 2k22 n LYS 16 Cb 0.64 -4.79 -0.08 0.00 0.02 0.00 0.00 35.03 30.81 2k22 n LYS 16 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2k22 s LYS 17 N -5.73 0.39 0.01 1.64 2.20 -1.15 -5.16 119.74 111.94 2k22 s LYS 17 Ca 0.29 1.03 0.05 0.00 -0.36 0.00 0.00 55.97 56.98 2k22 s LYS 17 Cb -0.08 0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 36.53 2k22 s LYS 17 CO 0.83 -0.32 -0.14 -2.00 -0.36 0.00 0.00 175.35 173.35 2k22 s GLU 18 N 2.67 2.32 0.17 4.03 -6.30 -1.26 -4.96 118.70 115.37 2k22 s GLU 18 Ca 0.01 -0.83 -0.18 0.00 -2.50 0.00 0.00 54.97 51.47 2k22 s GLU 18 Cb -0.13 -2.32 0.04 0.00 0.00 0.00 0.00 34.13 31.71 2k22 s GLU 18 CO -0.15 0.58 0.51 -1.21 0.02 0.00 0.00 175.26 175.01 2k22 s GLU 19 N -1.25 1.30 0.14 4.30 2.02 -1.26 -5.11 118.70 118.84 2k22 s GLU 19 Ca 0.15 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.40 2k22 s GLU 19 Cb -0.11 0.52 -0.04 0.00 0.10 0.00 0.00 34.13 34.61 2k22 s GLU 19 CO 0.05 -0.55 0.18 0.95 0.02 0.00 0.00 175.26 175.91 2k22 s THR 20 N -3.84 4.85 0.02 3.63 -4.23 -1.26 -4.26 115.64 110.55 2k22 s THR 20 Ca 0.06 -0.84 0.05 0.00 -1.18 0.00 0.00 61.69 59.78 2k22 s THR 20 Cb -0.00 -3.45 -0.02 0.00 1.34 0.00 0.00 72.50 70.37 2k22 s THR 20 CO -0.06 -0.04 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.48 2k22 s PHE 21 N -1.67 1.22 -0.04 3.99 0.40 -0.54 -4.91 117.98 116.42 2k22 s PHE 21 Ca 0.32 -0.30 0.05 0.00 -0.60 0.00 0.00 56.93 56.40 2k22 s PHE 21 Cb -0.11 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.67 2k22 s PHE 21 CO 0.25 0.01 -0.19 0.54 0.70 0.00 0.00 175.22 176.53 2k22 s ASN 22 N -0.80 2.40 0.00 1.36 2.20 -1.26 -0.08 114.94 118.75 2k22 s ASN 22 Ca 0.03 -0.39 0.00 0.00 -0.94 0.00 0.00 52.86 51.56 2k22 s ASN 22 Cb -0.07 -0.58 0.00 0.00 -2.00 0.00 0.00 41.25 38.60 2k22 s ASN 22 CO 0.01 0.19 0.00 0.61 -2.94 0.00 0.00 177.10 174.97 2k22 n GLY 23 N 2.98 -0.73 3.71 0.45 0.00 -1.26 -5.01 105.19 105.34 2k22 n GLY 23 Ca -0.17 0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 4.24 -0.66 -0.61 2.07 -1.26 -5.04 121.20 119.94 2k22 s ILE 24 Ca 0.00 -0.76 0.02 0.00 -1.41 0.00 0.00 60.65 58.50 2k22 s ILE 24 Cb 0.00 -2.97 0.37 0.00 0.13 0.00 0.00 42.46 39.99 2k22 s ILE 24 CO 0.00 0.23 1.44 -1.20 -1.91 0.00 0.00 174.94 173.49 2k22 n SER 25 N 0.87 5.82 -3.69 4.50 7.64 -1.26 -4.83 113.62 122.68 2k22 n SER 25 Ca -0.12 -3.75 -0.13 0.00 1.01 0.00 0.00 58.87 55.89 2k22 n SER 25 Cb 0.52 -0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 62.91 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 -3.79 0.87 0.33 1.43 1.02 -1.26 -2.07 119.74 116.27 2k22 s LYS 26 Ca 0.48 -0.30 0.17 0.00 0.02 0.00 0.00 55.97 56.33 2k22 s LYS 26 Cb 0.36 0.39 0.48 0.00 -0.52 0.00 0.00 37.83 38.54 2k22 s LYS 26 CO -0.24 -0.28 1.64 0.82 -0.92 0.00 0.00 175.35 176.37 2k22 h ILE 27 N 3.21 0.97 0.05 2.17 1.08 -1.63 -2.60 117.51 120.76 2k22 h ILE 27 Ca -0.31 -1.82 0.03 0.00 -0.39 0.00 0.00 64.86 62.37 2k22 h ILE 27 Cb 1.19 2.10 -0.04 0.00 -3.07 0.00 0.00 36.82 37.00 2k22 h ILE 27 CO 0.43 0.45 -0.28 -1.28 -0.69 0.00 0.00 178.15 176.77 2k22 h SER 28 N 0.00 -0.83 -0.04 1.72 0.87 -1.79 0.25 113.55 113.73 2k22 h SER 28 Ca -0.00 0.10 -0.23 0.00 -1.23 0.00 0.00 61.79 60.43 2k22 h SER 28 Cb 1.06 0.33 0.02 0.00 -0.44 0.00 0.00 62.40 63.36 2k22 h SER 28 CO 0.06 -0.36 -0.87 -0.33 -0.53 0.00 0.00 176.83 174.80 2k22 h GLU 29 N -0.45 0.66 -0.19 2.24 4.39 -1.90 -2.53 114.58 116.80 2k22 h GLU 29 Ca 0.05 -0.66 0.05 0.00 0.34 0.00 0.00 59.36 59.14 2k22 h GLU 29 Cb 0.52 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 2k22 h GLU 29 CO -0.21 1.26 -0.13 1.25 -1.16 0.00 0.00 179.01 180.02 2k22 h LEU 30 N 0.32 -0.41 0.10 1.33 5.85 -1.27 0.26 115.31 121.49 2k22 h LEU 30 Ca -0.10 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k22 h LEU 30 Cb 1.53 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.77 2k22 h LEU 30 CO 0.17 -0.16 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.99 2k22 h LEU 31 N -0.12 -0.11 -1.27 2.25 3.38 -0.59 0.88 115.31 119.73 2k22 h LEU 31 Ca 0.11 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.02 2k22 h LEU 31 Cb 0.29 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 2k22 h LEU 31 CO -0.26 0.13 0.57 -0.08 0.09 0.00 0.00 178.44 178.89 2k22 h GLU 32 N -0.36 0.70 0.01 1.13 4.81 -1.19 0.21 114.58 119.89 2k22 h GLU 32 Ca -0.01 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 2k22 h GLU 32 Cb 0.30 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2k22 h GLU 32 CO 0.02 0.47 -0.92 0.00 -0.73 0.00 0.00 179.01 177.85 2k22 h ARG 33 N 0.72 0.08 0.01 1.92 2.47 -0.28 -3.02 114.38 116.28 2k22 h ARG 33 Ca 0.44 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 59.06 2k22 h ARG 33 Cb 0.67 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 2k22 h ARG 33 CO -0.20 0.94 -0.00 1.25 0.56 0.00 0.00 179.97 182.51 2k22 h LEU 34 N 0.04 -0.01 -0.78 3.04 6.46 0.11 0.17 115.31 124.34 2k22 h LEU 34 Ca -0.03 -0.56 0.07 0.00 -0.12 0.00 0.00 57.88 57.24 2k22 h LEU 34 Cb 1.59 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.46 2k22 h LEU 34 CO 0.13 0.56 0.46 0.07 -0.62 0.00 0.00 178.44 179.03 2k22 h LYS 35 N -0.57 0.79 -0.00 1.25 2.10 -0.78 -2.04 116.57 117.31 2k22 h LYS 35 Ca -0.00 -0.05 -0.22 0.00 -2.00 0.00 0.00 60.65 58.38 2k22 h LYS 35 Cb 0.56 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2k22 h LYS 35 CO 0.00 0.52 -0.92 -0.24 -2.00 0.00 0.00 179.45 176.81 2k22 h VAL 36 N 0.81 1.41 -0.44 0.07 3.04 -1.56 0.36 116.25 119.95 2k22 h VAL 36 Ca 0.36 -2.46 0.09 0.00 -1.01 0.00 0.00 66.70 63.68 2k22 h VAL 36 Cb 0.24 2.41 -0.09 0.00 -2.01 0.00 0.00 31.29 31.84 2k22 h VAL 36 CO -0.20 0.73 -0.13 -0.08 -1.01 0.00 0.00 177.57 176.88 2k22 h GLU 37 N 0.22 -0.03 0.08 4.17 4.81 0.06 -3.07 114.58 120.82 2k22 h GLU 37 Ca -0.07 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.80 2k22 h GLU 37 Cb 1.55 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.90 2k22 h GLU 37 CO 0.16 -0.02 -2.08 0.66 -0.73 0.00 0.00 179.01 177.00 2k22 n TYR 38 N -5.34 0.91 0.00 0.92 4.01 -1.01 -5.09 117.16 111.56 2k22 n TYR 38 Ca 0.03 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 2k22 n TYR 38 Cb 0.25 -1.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.15 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 1.97 1.94 0.36 2.72 0.00 0.13 -4.82 105.19 107.49 2k22 n GLY 39 Ca -0.33 -2.05 0.16 0.00 0.00 0.00 0.00 46.02 43.80 2k22 n GLY 39 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k22 h SER 40 N 0.00 0.20 -0.39 1.61 4.64 -1.90 -1.95 113.55 115.77 2k22 h SER 40 Ca 0.00 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.41 2k22 h SER 40 Cb 0.00 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 61.98 2k22 h SER 40 CO 0.00 0.12 -0.12 -0.08 -0.87 0.00 0.00 176.83 175.88 2k22 h GLU 41 N 0.22 -0.03 -0.47 4.77 4.81 -1.87 0.28 114.58 122.29 2k22 h GLU 41 Ca 0.27 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2k22 h GLU 41 Cb 0.75 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 2k22 h GLU 41 CO -0.05 -0.02 0.13 0.35 -0.73 0.00 0.00 179.01 178.69 2k22 h PHE 42 N -0.03 0.71 -0.21 0.92 3.04 -1.64 0.26 116.94 119.99 2k22 h PHE 42 Ca 0.19 -0.05 -0.05 0.00 3.98 0.00 0.00 57.97 62.04 2k22 h PHE 42 Cb 0.32 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 2k22 h PHE 42 CO -0.37 0.60 -0.07 1.15 -2.02 0.00 0.00 178.31 177.60 2k22 h THR 43 N 0.69 1.29 0.00 4.41 2.02 -1.00 0.98 112.91 121.30 2k22 h THR 43 Ca 0.16 -1.08 -0.10 0.00 0.77 0.00 0.00 66.41 66.16 2k22 h THR 43 Cb 0.23 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2k22 h THR 43 CO -0.01 0.33 -0.45 0.11 0.37 0.00 0.00 175.52 175.87 2k22 h LYS 44 N 0.14 0.00 0.10 6.66 1.57 -0.31 0.29 116.57 125.03 2k22 h LYS 44 Ca 0.05 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.57 2k22 h LYS 44 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2k22 h LYS 44 CO 0.02 0.45 -1.18 0.37 -0.57 0.00 0.00 179.45 178.55 2k22 h GLN 45 N 0.00 0.28 -0.35 3.15 5.75 -0.36 -3.26 115.11 120.31 2k22 h GLN 45 Ca -0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2k22 h GLN 45 Cb 1.07 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.78 2k22 h GLN 45 CO 0.06 1.19 0.00 -1.33 -2.65 0.00 0.00 178.83 176.09 2k22 n MET 46 N -3.56 2.35 -3.15 1.69 2.81 0.33 -4.56 117.12 113.03 2k22 n MET 46 Ca -0.08 -2.16 0.05 0.00 -1.81 0.00 0.00 57.70 53.70 2k22 n MET 46 Cb 0.98 -1.46 -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 -1.37 -0.73 -0.88 2.03 5.04 0.10 -4.62 117.35 116.92 2k22 s TYR 47 Ca 0.34 0.46 -0.16 0.00 -2.44 0.00 0.00 57.07 55.27 2k22 s TYR 47 Cb 0.20 0.14 0.18 0.00 0.35 0.00 0.00 41.96 42.83 2k22 s TYR 47 CO 0.28 -0.42 0.94 0.34 -1.34 0.00 0.00 175.55 175.35 2k22 s ASP 48 N 2.93 6.73 0.00 4.32 2.15 0.85 -3.63 116.67 130.02 2k22 s ASP 48 Ca 0.22 -2.45 0.00 0.00 0.43 0.00 0.00 52.55 50.75 2k22 s ASP 48 Cb -0.04 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2k22 s ASP 48 CO -0.22 -0.77 0.00 0.61 -0.17 0.00 0.00 175.17 174.61 2k22 n GLY 49 N 4.58 1.50 0.00 2.66 0.00 -1.26 -3.48 105.19 109.19 2k22 n GLY 49 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 4.54 0.51 -3.75 1.61 3.02 -1.26 -5.07 115.26 114.86 2k22 n ASN 50 Ca 0.00 -0.78 -0.10 0.00 -0.03 0.00 0.00 54.58 53.67 2k22 n ASN 50 Cb 0.00 0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 39.42 2k22 n ASN 50 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2k22 s ASN 51 N -0.29 -0.21 0.79 6.41 2.20 -1.23 -5.13 114.94 117.48 2k22 s ASN 51 Ca 0.00 -0.51 -0.16 0.00 -0.94 0.00 0.00 52.86 51.25 2k22 s ASN 51 Cb 0.00 0.53 -0.05 0.00 -2.00 0.00 0.00 41.25 39.74 2k22 s ASN 51 CO 0.00 -0.99 0.28 0.18 -2.94 0.00 0.00 177.10 173.63 2k22 n LEU 52 N -0.30 -0.64 0.01 3.54 7.99 -1.26 -0.10 117.00 126.23 2k22 n LEU 52 Ca -0.11 0.49 -0.01 0.00 -0.01 0.00 0.00 56.01 56.37 2k22 n LEU 52 Cb 0.63 -1.13 -0.01 0.00 -0.11 0.00 0.00 43.42 42.81 2k22 n LEU 52 CO 0.18 -3.74 0.06 0.15 -1.51 0.00 0.00 177.39 172.53 2k22 h PHE 53 N -0.67 -0.06 0.00 -1.77 3.04 -1.83 -3.40 116.94 112.23 2k22 h PHE 53 Ca -0.44 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.44 2k22 h PHE 53 Cb 1.34 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.86 2k22 h PHE 53 CO 0.33 -0.04 -0.59 -0.22 -2.02 0.00 0.00 178.31 175.77 2k22 h LYS 54 N -0.49 0.00 0.00 1.11 3.64 -1.93 -3.49 116.57 115.42 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 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2k22 h LYS 54 CO 0.01 0.40 0.00 0.09 -2.27 0.00 0.00 179.45 177.68 2k22 n ASN 55 N -4.59 0.00 -4.77 4.20 3.02 -1.26 -4.98 115.26 106.88 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 2.68 -0.27 2.41 1.01 -1.26 -3.64 120.40 121.33 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 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 33.02 2k22 s VAL 56 CO 0.00 0.16 -0.06 -0.63 0.00 0.00 0.00 175.10 174.57 2k22 s ILE 57 N -1.15 1.98 -0.05 2.22 1.01 0.41 -4.90 121.20 120.73 2k22 s ILE 57 Ca 0.49 -1.63 0.05 0.00 0.00 0.00 0.00 60.65 59.56 2k22 s ILE 57 Cb -0.40 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 2k22 s ILE 57 CO 0.53 -0.16 -0.21 -0.51 0.00 0.00 0.00 174.94 174.59 2k22 s ILE 58 N 1.16 1.73 0.24 2.92 2.07 -1.26 -0.07 121.20 127.99 2k22 s ILE 58 Ca -0.04 -0.89 0.07 0.00 -1.41 0.00 0.00 60.65 58.37 2k22 s ILE 58 Cb -0.19 -1.47 -0.05 0.00 0.13 0.00 0.00 42.46 40.87 2k22 s ILE 58 CO -0.06 0.49 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.59 2k22 s LEU 59 N -0.12 2.51 -0.03 8.50 1.43 -0.96 -4.91 118.68 125.10 2k22 s LEU 59 Ca -0.02 -1.10 0.03 0.00 -1.03 0.00 0.00 54.13 52.00 2k22 s LEU 59 Cb -0.12 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.45 2k22 s LEU 59 CO 0.02 -0.25 -0.10 0.54 0.23 0.00 0.00 176.35 176.80 2k22 s VAL 60 N -2.99 0.86 -1.33 -1.59 0.11 -0.55 -1.60 120.40 113.31 2k22 s VAL 60 Ca 0.26 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 2k22 s VAL 60 Cb 0.01 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 2k22 s VAL 60 CO 0.09 0.27 0.00 -3.20 -3.33 0.00 0.00 175.10 168.93 2k22 n ASN 61 N 3.38 -4.29 -1.82 3.54 5.15 0.94 -0.95 115.26 121.21 2k22 n ASN 61 Ca -0.19 0.20 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 2k22 n ASN 61 Cb 0.54 -3.70 0.03 0.00 -0.53 0.00 0.00 39.78 36.12 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 -0.71 0.31 3.61 8.20 0.00 -1.26 -4.89 105.19 110.46 2k22 n GLY 62 Ca -0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.13 -0.19 0.33 1.61 3.84 -0.12 -5.16 114.94 112.12 2k22 s ASN 63 Ca 0.25 0.22 -0.27 0.00 0.21 0.00 0.00 52.86 53.27 2k22 s ASN 63 Cb -0.11 0.17 -0.09 0.00 -0.55 0.00 0.00 41.25 40.66 2k22 s ASN 63 CO 0.31 -0.17 1.02 0.54 -2.79 0.00 0.00 177.10 176.00 2k22 s ASN 64 N -1.01 7.15 0.33 -4.21 4.22 -1.26 -1.47 114.94 118.68 2k22 s ASN 64 Ca 0.04 2.02 0.17 0.00 -2.14 0.00 0.00 52.86 52.95 2k22 s ASN 64 Cb -0.01 -2.60 0.40 0.00 1.28 0.00 0.00 41.25 40.33 2k22 s ASN 64 CO -0.04 -0.21 1.60 0.16 -2.04 0.00 0.00 177.10 176.57 2k22 h ILE 65 N 2.63 0.92 0.00 0.54 3.07 -1.87 -3.10 117.51 119.69 2k22 h ILE 65 Ca -0.47 -1.89 -0.02 0.00 1.55 0.00 0.00 64.86 64.03 2k22 h ILE 65 Cb 1.21 2.17 -0.00 0.00 -0.27 0.00 0.00 36.82 39.92 2k22 h ILE 65 CO 0.65 0.45 -0.09 0.71 -1.05 0.00 0.00 178.15 178.82 2k22 h THR 66 N 0.00 0.74 -0.71 0.16 1.35 -1.85 -1.68 112.91 110.92 2k22 h THR 66 Ca -0.00 -0.35 0.15 0.00 -0.55 0.00 0.00 66.41 65.66 2k22 h THR 66 Cb 1.13 1.21 -0.10 0.00 -1.73 0.00 0.00 68.15 68.65 2k22 h THR 66 CO 0.06 0.09 0.17 -1.28 -0.25 0.00 0.00 175.52 174.31 2k22 h SER 67 N 0.00 0.02 0.00 5.36 0.87 -1.95 -3.41 113.55 114.44 2k22 h SER 67 Ca -0.00 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2k22 h SER 67 Cb 0.20 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2k22 h SER 67 CO 0.01 -0.02 0.00 1.15 -0.53 0.00 0.00 176.83 177.44 2k22 n MET 68 N -5.15 0.00 -4.39 2.24 -0.00 -1.04 -5.07 117.12 103.72 2k22 n MET 68 Ca 0.13 0.00 -0.33 0.00 -0.00 0.00 0.00 57.70 57.51 2k22 n MET 68 Cb 0.43 -0.00 -0.16 0.00 -0.00 0.00 0.00 33.22 33.49 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 -0.35 2.97 0.00 3.17 3.01 -0.66 -5.07 119.74 122.81 2k22 s LYS 69 Ca 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 55.97 54.13 2k22 s LYS 69 Cb 0.00 -2.48 0.00 0.00 -1.01 0.00 0.00 37.83 34.34 2k22 s LYS 69 CO 0.00 -0.11 0.00 0.41 0.51 0.00 0.00 175.35 176.16 2k22 n GLY 70 N 4.35 -1.91 0.11 -3.33 0.00 -1.13 -2.75 105.19 100.52 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 -0.10 0.00 0.00 0.00 173.32 173.22 2k22 n LEU 71 N 0.00 0.73 -0.13 0.99 7.94 -1.26 -2.67 117.00 122.60 2k22 n LEU 71 Ca 0.00 0.61 0.10 0.00 -1.11 0.00 0.00 56.01 55.61 2k22 n LEU 71 Cb 0.00 -0.42 0.54 0.00 0.53 0.00 0.00 43.42 44.07 2k22 n LEU 71 CO 0.00 -0.32 0.85 0.47 -1.11 0.00 0.00 177.39 177.29 2k22 n ASP 72 N -2.22 0.39 -4.77 1.96 9.92 -1.26 -2.75 116.55 117.82 2k22 n ASP 72 Ca 0.04 -1.46 -0.41 0.00 -0.53 0.00 0.00 54.79 52.44 2k22 n ASP 72 Cb 0.35 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 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 -1.96 2.11 -0.14 -3.53 2.01 -1.09 -4.90 115.64 108.14 2k22 s THR 73 Ca 0.30 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.31 2k22 s THR 73 Cb 0.15 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 2k22 s THR 73 CO 0.24 0.02 0.18 -0.70 -0.69 0.00 0.00 174.62 173.67 2k22 s GLU 74 N -2.19 3.85 -0.06 4.92 2.12 -1.26 -2.50 118.70 123.58 2k22 s GLU 74 Ca 0.55 -0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.82 2k22 s GLU 74 Cb -0.45 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.64 2k22 s GLU 74 CO 0.60 0.53 -0.13 0.96 -0.54 0.00 0.00 175.26 176.68 2k22 s ILE 75 N -0.35 1.20 0.48 -3.70 -4.36 -0.88 -4.95 121.20 108.64 2k22 s ILE 75 Ca 0.14 -0.53 0.06 0.00 -0.26 0.00 0.00 60.65 60.05 2k22 s ILE 75 Cb -0.12 -1.08 -0.00 0.00 1.25 0.00 0.00 42.46 42.51 2k22 s ILE 75 CO 0.03 0.37 0.31 -1.59 0.24 0.00 0.00 174.94 174.29 2k22 s LYS 76 N 0.53 2.29 0.54 0.37 -2.85 -1.26 -4.14 119.74 115.22 2k22 s LYS 76 Ca -0.13 -1.91 0.30 0.00 -1.00 0.00 0.00 55.97 53.24 2k22 s LYS 76 Cb -0.15 -2.08 1.47 0.00 -2.06 0.00 0.00 37.83 35.01 2k22 s LYS 76 CO 0.04 -0.38 1.91 0.38 0.10 0.00 0.00 175.35 177.39 2k22 h ASP 77 N 1.04 0.00 -0.00 0.03 2.03 -1.97 0.13 116.42 117.67 2k22 h ASP 77 Ca -0.40 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 55.64 2k22 h ASP 77 Cb 1.28 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.80 2k22 h ASP 77 CO 0.62 0.00 -1.02 -0.78 -1.03 0.00 0.00 179.24 177.03 2k22 h ASP 78 N 0.00 0.91 -3.75 4.15 3.58 -1.95 -3.42 116.42 115.94 2k22 h ASP 78 Ca 0.37 -0.72 -0.55 0.00 0.42 0.00 0.00 57.03 56.55 2k22 h ASP 78 Cb 1.52 -0.28 0.18 0.00 1.72 0.00 0.00 39.33 42.48 2k22 h ASP 78 CO -0.00 1.52 0.01 0.47 -2.88 0.00 0.00 179.24 178.35 2k22 n ASP 79 N -3.86 0.07 -3.76 2.28 9.92 0.46 -4.96 116.55 116.69 2k22 n ASP 79 Ca -0.11 0.60 -0.13 0.00 -0.53 0.00 0.00 54.79 54.62 2k22 n ASP 79 Cb 0.87 -1.38 -0.11 0.00 -0.64 0.00 0.00 41.12 39.86 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 -3.48 0.33 -0.09 -1.24 -2.85 -1.26 -4.45 119.74 106.71 2k22 s LYS 80 Ca 0.70 0.45 -0.04 0.00 -1.00 0.00 0.00 55.97 56.09 2k22 s LYS 80 Cb -0.32 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.54 2k22 s LYS 80 CO 0.54 -0.06 0.06 0.42 0.10 0.00 0.00 175.35 176.40 2k22 s ILE 81 N 0.38 4.79 0.00 3.79 1.09 0.90 -0.04 121.20 132.10 2k22 s ILE 81 Ca -0.02 -0.08 0.03 0.00 -1.10 0.00 0.00 60.65 59.47 2k22 s ILE 81 Cb -0.04 -3.05 -0.01 0.00 -1.06 0.00 0.00 42.46 38.30 2k22 s ILE 81 CO -0.02 0.60 -0.09 -0.62 -0.10 0.00 0.00 174.94 174.71 2k22 s ASP 82 N -0.99 1.03 -0.22 3.58 -1.08 -0.63 -2.68 116.67 115.68 2k22 s ASP 82 Ca 0.15 -0.23 -0.03 0.00 -0.52 0.00 0.00 52.55 51.91 2k22 s ASP 82 Cb -0.12 -0.09 -0.00 0.00 -1.46 0.00 0.00 42.92 41.25 2k22 s ASP 82 CO 0.04 0.06 -0.05 -0.22 0.52 0.00 0.00 175.17 175.51 2k22 s LEU 83 N -0.46 2.89 -0.07 -1.34 1.98 -1.18 -2.27 118.68 118.23 2k22 s LEU 83 Ca 0.01 -0.46 0.03 0.00 -2.89 0.00 0.00 54.13 50.82 2k22 s LEU 83 Cb -0.04 -1.72 -0.02 0.00 0.66 0.00 0.00 46.19 45.07 2k22 s LEU 83 CO -0.00 -0.03 -0.13 -0.36 -1.89 0.00 0.00 176.35 173.93 2k22 s PHE 84 N 1.45 2.75 0.85 5.38 0.08 0.90 -4.19 117.98 125.19 2k22 s PHE 84 Ca 0.05 -0.25 -0.11 0.00 0.12 0.00 0.00 56.93 56.74 2k22 s PHE 84 Cb -0.14 -1.68 0.10 0.00 -0.57 0.00 0.00 43.02 40.72 2k22 s PHE 84 CO -0.04 0.11 1.09 -1.25 -0.10 0.00 0.00 175.22 175.03 2k22 s PRO 85 N -0.49 1.64 0.59 0.24 0.04 -1.26 -0.45 135.00 135.30 2k22 s PRO 85 Ca 0.07 0.96 -0.18 0.00 0.04 0.00 0.00 61.00 61.89 2k22 s PRO 85 Cb -0.12 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2k22 s PRO 85 CO 0.02 -2.01 1.12 -1.25 0.04 0.00 0.00 177.00 174.91 2k22 s PRO 86 N -4.92 3.15 0.48 0.56 0.04 -1.24 -4.46 135.00 128.61 2k22 s PRO 86 Ca 0.63 1.53 0.15 0.00 0.04 0.00 0.00 61.00 63.34 2k22 s PRO 86 Cb -0.18 -1.99 1.13 0.00 0.04 0.00 0.00 34.50 33.51 2k22 s PRO 86 CO 0.57 -0.99 2.08 -0.39 0.04 0.00 0.00 177.00 178.30 2k22 h VAL 87 N 0.77 1.06 0.00 -0.36 -1.51 -1.94 -1.56 116.25 112.71 2k22 h VAL 87 Ca -0.49 -0.26 -0.12 0.00 -1.23 0.00 0.00 66.70 64.60 2k22 h VAL 87 Cb 1.26 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 2k22 h VAL 87 CO 0.56 0.08 -0.70 0.00 -1.23 0.00 0.00 177.57 176.28 2k22 h ALA 88 N 1.90 0.66 -2.64 5.19 0.00 -1.93 -3.46 119.26 118.98 2k22 h ALA 88 Ca 0.01 -0.53 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 2k22 h ALA 88 Cb 0.12 -0.01 0.16 0.00 0.00 0.00 0.00 17.79 18.06 2k22 h ALA 88 CO 0.01 0.68 0.02 0.41 0.00 0.00 0.00 179.25 180.36 2k22 n GLY 89 N 1.26 -0.55 0.00 0.00 0.00 -0.59 -5.20 105.19 100.12 2k22 n GLY 89 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93