#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 2.01 -0.14 1.12 -7.23 0.84 -3.99 120.40 113.01 2k22 s VAL 2 Ca 0.00 -1.00 -0.04 0.00 -1.81 0.00 0.00 61.98 59.13 2k22 s VAL 2 Cb 0.00 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 2k22 s VAL 2 CO 0.00 0.55 0.01 -0.89 -0.31 0.00 0.00 175.10 174.46 2k22 s THR 3 N 0.27 4.30 -0.03 5.32 2.01 -1.26 -1.56 115.64 124.69 2k22 s THR 3 Ca -0.16 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 61.68 2k22 s THR 3 Cb -0.17 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 2k22 s THR 3 CO 0.08 0.52 -0.20 0.68 -0.69 0.00 0.00 174.62 175.01 2k22 s VAL 4 N -0.08 2.59 0.02 3.82 -7.23 -1.26 -0.06 120.40 118.21 2k22 s VAL 4 Ca 0.04 -0.94 0.05 0.00 -1.81 0.00 0.00 61.98 59.32 2k22 s VAL 4 Cb -0.13 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 2k22 s VAL 4 CO 0.02 0.56 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.64 2k22 s ARG 5 N -0.75 2.32 -0.04 4.82 3.52 -0.86 -4.64 118.95 123.31 2k22 s ARG 5 Ca 0.11 -0.84 -0.02 0.00 -0.13 0.00 0.00 55.73 54.85 2k22 s ARG 5 Cb -0.10 -2.34 0.03 0.00 -1.56 0.00 0.00 34.95 30.98 2k22 s ARG 5 CO 0.00 0.57 0.10 0.71 -0.81 0.00 0.00 175.30 175.87 2k22 s TYR 6 N -0.94 -0.09 0.14 5.12 2.02 -1.26 -2.67 117.35 119.68 2k22 s TYR 6 Ca 0.15 0.32 0.01 0.00 -0.37 0.00 0.00 57.07 57.19 2k22 s TYR 6 Cb -0.11 -0.12 0.03 0.00 -0.40 0.00 0.00 41.96 41.36 2k22 s TYR 6 CO 0.06 -0.12 0.20 0.66 -1.57 0.00 0.00 175.55 174.77 2k22 n TYR 7 N 4.03 -2.99 -0.21 2.71 4.02 -1.26 -4.79 117.16 118.67 2k22 n TYR 7 Ca -0.25 -0.45 0.29 0.00 -0.01 0.00 0.00 57.90 57.48 2k22 n TYR 7 Cb 0.52 -0.14 0.70 0.00 -0.02 0.00 0.00 39.34 40.41 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 0.11 2.81 -0.58 -0.72 0.00 -1.97 0.31 119.26 119.22 2k22 h ALA 8 Ca -0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2k22 h ALA 8 Cb 0.28 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2k22 h ALA 8 CO 0.08 -1.09 0.38 1.79 0.00 0.00 0.00 179.25 180.41 2k22 h THR 9 N 0.05 1.12 -0.40 0.00 1.35 -1.99 -2.62 112.91 110.43 2k22 h THR 9 Ca 0.46 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 2k22 h THR 9 Cb 1.74 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2k22 h THR 9 CO -0.03 0.14 0.00 0.18 -0.25 0.00 0.00 175.52 175.55 2k22 n LEU 10 N -4.70 4.13 0.44 3.87 7.99 0.19 -4.65 117.00 124.27 2k22 n LEU 10 Ca 0.04 -2.68 -0.19 0.00 -0.01 0.00 0.00 56.01 53.17 2k22 n LEU 10 Cb 0.04 -0.51 -0.09 0.00 -0.11 0.00 0.00 43.42 42.75 2k22 n LEU 10 CO 0.34 0.71 0.55 -0.09 -1.51 0.00 0.00 177.39 177.39 2k22 h ARG 11 N 2.61 -1.07 0.00 3.23 2.43 -0.10 0.24 114.38 121.72 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 1.38 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 2k22 h ARG 11 CO 0.22 -0.70 0.00 -0.35 -1.51 0.00 0.00 179.97 177.62 2k22 n PRO 12 N -5.55 0.07 -0.03 0.20 -0.04 -1.26 -0.84 135.00 127.55 2k22 n PRO 12 Ca -0.15 0.22 0.05 0.00 -0.04 0.00 0.00 63.50 63.58 2k22 n PRO 12 Cb 0.44 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.43 0.43 -0.18 0.52 5.41 -1.02 -4.25 119.36 118.84 2k22 n ILE 13 Ca 0.05 -0.61 0.10 0.00 1.00 0.00 0.00 62.75 63.29 2k22 n ILE 13 Cb 0.15 -0.15 0.24 0.00 -0.71 0.00 0.00 39.64 39.17 2k22 n ILE 13 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k22 n THR 14 N -2.42 0.89 -3.18 1.39 5.66 0.83 -4.79 114.28 112.67 2k22 n THR 14 Ca -0.12 -0.95 -0.20 0.00 -3.05 0.00 0.00 64.05 59.73 2k22 n THR 14 Cb 0.74 0.60 0.05 0.00 -1.55 0.00 0.00 70.33 70.17 2k22 n THR 14 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2k22 n LYS 15 N 1.23 -5.58 -4.42 1.09 4.81 -0.89 -2.61 118.16 111.80 2k22 n LYS 15 Ca 0.19 0.77 -0.39 0.00 -0.87 0.00 0.00 58.31 58.00 2k22 n LYS 15 Cb 0.55 -5.44 -0.08 0.00 0.02 0.00 0.00 35.03 30.07 2k22 n LYS 15 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2k22 n LYS 16 N -4.01 -0.77 -3.76 1.64 2.85 -0.02 -4.89 118.16 109.20 2k22 n LYS 16 Ca -0.05 0.13 -0.12 0.00 -1.05 0.00 0.00 58.31 57.21 2k22 n LYS 16 Cb 0.58 -4.34 -0.12 0.00 -0.65 0.00 0.00 35.03 30.50 2k22 n LYS 16 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2k22 s LYS 17 N -7.10 0.27 0.03 -1.58 2.20 -1.07 -5.14 119.74 107.35 2k22 s LYS 17 Ca 0.64 0.45 0.09 0.00 -0.36 0.00 0.00 55.97 56.79 2k22 s LYS 17 Cb -0.38 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 35.95 2k22 s LYS 17 CO 0.99 -0.09 -0.25 -2.00 -0.36 0.00 0.00 175.35 173.64 2k22 s GLU 18 N 0.64 1.77 0.18 4.03 2.12 -1.26 -4.91 118.70 121.27 2k22 s GLU 18 Ca -0.04 -1.03 -0.18 0.00 0.36 0.00 0.00 54.97 54.07 2k22 s GLU 18 Cb -0.05 -1.89 0.04 0.00 0.26 0.00 0.00 34.13 32.49 2k22 s GLU 18 CO -0.04 0.49 0.51 -2.00 -0.54 0.00 0.00 175.26 173.69 2k22 s GLU 19 N -1.09 1.30 0.21 4.30 2.12 -1.26 -5.11 118.70 119.17 2k22 s GLU 19 Ca 0.11 -0.77 0.05 0.00 0.36 0.00 0.00 54.97 54.72 2k22 s GLU 19 Cb -0.10 0.52 -0.03 0.00 0.26 0.00 0.00 34.13 34.78 2k22 s GLU 19 CO 0.01 -0.55 0.31 0.95 -0.54 0.00 0.00 175.26 175.44 2k22 s THR 20 N -3.84 5.13 0.04 -1.70 -4.23 -1.26 -4.21 115.64 105.57 2k22 s THR 20 Ca 0.06 -0.96 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 2k22 s THR 20 Cb -0.00 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 2k22 s THR 20 CO -0.06 -0.25 -0.14 0.12 -0.54 0.00 0.00 174.62 173.74 2k22 s PHE 21 N -1.92 1.22 0.20 3.99 5.36 -0.60 -4.93 117.98 121.30 2k22 s PHE 21 Ca 0.34 -0.35 0.05 0.00 -0.96 0.00 0.00 56.93 56.01 2k22 s PHE 21 Cb -0.09 -0.73 -0.05 0.00 -0.34 0.00 0.00 43.02 41.81 2k22 s PHE 21 CO 0.28 0.03 -0.08 0.54 -1.46 0.00 0.00 175.22 174.53 2k22 s ASN 22 N -1.10 2.12 0.00 6.13 2.20 -1.26 -0.11 114.94 122.92 2k22 s ASN 22 Ca 0.02 -1.09 0.00 0.00 -0.94 0.00 0.00 52.86 50.84 2k22 s ASN 22 Cb -0.08 -0.06 0.00 0.00 -2.00 0.00 0.00 41.25 39.12 2k22 s ASN 22 CO 0.01 -0.34 0.00 0.61 -2.94 0.00 0.00 177.10 174.44 2k22 n GLY 23 N -0.35 2.21 3.90 0.45 0.00 -1.26 -5.02 105.19 105.12 2k22 n GLY 23 Ca -0.08 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 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 5.30 -0.53 -0.61 2.07 -1.26 -5.03 121.20 121.14 2k22 s ILE 24 Ca 0.00 -0.09 0.04 0.00 -1.41 0.00 0.00 60.65 59.19 2k22 s ILE 24 Cb 0.00 -3.60 0.40 0.00 0.13 0.00 0.00 42.46 39.38 2k22 s ILE 24 CO 0.00 0.18 1.20 -1.54 -1.91 0.00 0.00 174.94 172.88 2k22 n SER 25 N 0.49 5.06 -3.74 4.50 3.41 -1.26 -4.87 113.62 117.21 2k22 n SER 25 Ca -0.06 -3.73 -0.12 0.00 -0.26 0.00 0.00 58.87 54.70 2k22 n SER 25 Cb 0.52 -0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 63.83 2k22 n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k22 s LYS 26 N -3.61 0.79 0.43 4.33 1.02 -1.26 -1.45 119.74 119.99 2k22 s LYS 26 Ca 0.48 -0.36 0.24 0.00 0.02 0.00 0.00 55.97 56.35 2k22 s LYS 26 Cb 0.38 0.35 0.87 0.00 -0.52 0.00 0.00 37.83 38.90 2k22 s LYS 26 CO -0.21 -0.25 1.80 0.82 -0.92 0.00 0.00 175.35 176.60 2k22 h ILE 27 N 3.39 0.54 0.01 2.17 1.08 -1.56 -2.92 117.51 120.22 2k22 h ILE 27 Ca -0.31 -1.17 0.03 0.00 -0.39 0.00 0.00 64.86 63.03 2k22 h ILE 27 Cb 1.19 1.80 -0.04 0.00 -3.07 0.00 0.00 36.82 36.70 2k22 h ILE 27 CO 0.44 0.23 -0.24 -1.28 -0.69 0.00 0.00 178.15 176.60 2k22 h SER 28 N 0.00 -0.71 0.68 1.72 0.87 -1.82 0.22 113.55 114.51 2k22 h SER 28 Ca -0.00 0.10 -0.16 0.00 -1.23 0.00 0.00 61.79 60.49 2k22 h SER 28 Cb 0.78 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 2k22 h SER 28 CO 0.03 -0.31 -0.74 -0.33 -0.53 0.00 0.00 176.83 174.95 2k22 h GLU 29 N -0.38 0.05 0.22 2.24 4.39 -1.91 -1.65 114.58 117.53 2k22 h GLU 29 Ca 0.06 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k22 h GLU 29 Cb 0.46 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2k22 h GLU 29 CO -0.21 0.77 -0.10 1.25 -1.16 0.00 0.00 179.01 179.55 2k22 h LEU 30 N 0.03 -0.25 -0.43 1.33 6.46 -1.22 0.25 115.31 121.48 2k22 h LEU 30 Ca -0.01 -0.10 -0.17 0.00 -0.12 0.00 0.00 57.88 57.48 2k22 h LEU 30 Cb 1.31 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.30 2k22 h LEU 30 CO 0.10 -0.05 -0.56 -0.07 -0.62 0.00 0.00 178.44 177.24 2k22 h LEU 31 N -0.44 0.75 0.02 2.25 3.38 -0.65 -2.26 115.31 118.37 2k22 h LEU 31 Ca -0.03 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 2k22 h LEU 31 Cb 0.33 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2k22 h LEU 31 CO 0.05 1.15 -0.01 -0.08 0.09 0.00 0.00 178.44 179.64 2k22 h GLU 32 N 0.52 -0.02 0.06 1.13 4.81 -1.24 0.26 114.58 120.09 2k22 h GLU 32 Ca 0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k22 h GLU 32 Cb 1.12 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2k22 h GLU 32 CO 0.11 0.19 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.46 2k22 h ARG 33 N -0.24 -0.08 -0.10 1.92 9.65 -0.55 -2.17 114.38 122.82 2k22 h ARG 33 Ca -0.00 0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 2k22 h ARG 33 Cb 0.23 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 2k22 h ARG 33 CO 0.00 -0.04 -0.19 -0.07 2.80 0.00 0.00 179.97 182.47 2k22 h LEU 34 N -0.09 0.15 0.00 3.80 3.38 -1.40 0.11 115.31 121.26 2k22 h LEU 34 Ca -0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2k22 h LEU 34 Cb 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2k22 h LEU 34 CO 0.01 0.35 -0.00 0.50 0.09 0.00 0.00 178.44 179.40 2k22 h LYS 35 N 0.15 -0.00 0.02 1.13 3.64 -0.01 -0.72 116.57 120.77 2k22 h LYS 35 Ca 0.03 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.17 2k22 h LYS 35 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2k22 h LYS 35 CO 0.03 0.06 -0.98 -0.24 -2.27 0.00 0.00 179.45 176.04 2k22 h VAL 36 N -0.06 1.40 -0.01 2.00 3.04 -1.22 0.36 116.25 121.75 2k22 h VAL 36 Ca -0.00 -2.49 0.01 0.00 -1.01 0.00 0.00 66.70 63.21 2k22 h VAL 36 Cb 0.06 2.47 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 2k22 h VAL 36 CO 0.00 0.74 -0.05 -0.08 -1.01 0.00 0.00 177.57 177.17 2k22 h GLU 37 N 0.23 -0.08 0.14 4.17 4.57 -0.68 -3.16 114.58 119.76 2k22 h GLU 37 Ca -0.09 0.01 -0.32 0.00 -1.18 0.00 0.00 59.36 57.77 2k22 h GLU 37 Cb 1.63 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.24 2k22 h GLU 37 CO 0.17 -0.06 -1.61 1.88 -1.18 0.00 0.00 179.01 178.22 2k22 h TYR 38 N -0.09 0.55 0.00 0.92 0.05 -1.21 -3.51 116.97 113.68 2k22 h TYR 38 Ca 0.03 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.40 2k22 h TYR 38 Cb 0.12 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.84 2k22 h TYR 38 CO -0.13 1.48 0.00 0.41 -1.05 0.00 0.00 178.16 178.87 2k22 n GLY 39 N 1.73 -0.03 0.15 3.88 0.00 0.13 -4.66 105.19 106.39 2k22 n GLY 39 Ca -0.19 -2.27 -0.06 0.00 0.00 0.00 0.00 46.02 43.49 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 0.25 -0.22 1.61 0.02 -1.92 -3.19 113.55 110.10 2k22 h SER 40 Ca 0.00 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.83 2k22 h SER 40 Cb 0.00 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 2k22 h SER 40 CO 0.00 0.87 -0.08 -0.33 -1.14 0.00 0.00 176.83 176.15 2k22 h GLU 41 N 0.14 -0.04 -0.30 3.45 3.07 -1.91 0.17 114.58 119.16 2k22 h GLU 41 Ca -0.02 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 2k22 h GLU 41 Cb 1.25 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.15 2k22 h GLU 41 CO 0.11 -0.03 0.17 0.35 -1.40 0.00 0.00 179.01 178.21 2k22 h PHE 42 N -0.04 0.31 -0.85 4.33 3.04 -1.83 0.25 116.94 122.15 2k22 h PHE 42 Ca 0.11 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.12 2k22 h PHE 42 Cb 0.21 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 38.57 2k22 h PHE 42 CO -0.25 0.18 0.54 1.15 -2.02 0.00 0.00 178.31 177.91 2k22 h THR 43 N 0.34 1.11 0.00 4.41 2.02 -1.43 -0.75 112.91 118.60 2k22 h THR 43 Ca 0.12 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 2k22 h THR 43 Cb 0.02 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 2k22 h THR 43 CO -0.07 0.19 -0.48 0.11 0.37 0.00 0.00 175.52 175.64 2k22 h LYS 44 N 1.03 0.00 0.00 6.66 1.79 -0.52 0.31 116.57 125.84 2k22 h LYS 44 Ca 0.35 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.71 2k22 h LYS 44 Cb 0.06 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2k22 h LYS 44 CO -0.13 0.48 -0.53 0.37 -1.08 0.00 0.00 179.45 178.57 2k22 h GLN 45 N 0.00 0.00 -0.14 3.15 -0.00 0.59 -3.17 115.11 115.55 2k22 h GLN 45 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2k22 h GLN 45 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.59 2k22 h GLN 45 CO 0.06 0.53 0.00 -0.12 0.00 0.00 0.00 178.83 179.30 2k22 n MET 46 N -3.53 1.75 -3.04 1.69 1.56 -0.40 -4.59 117.12 110.57 2k22 n MET 46 Ca -0.00 -1.48 0.05 0.00 -0.27 0.00 0.00 57.70 56.00 2k22 n MET 46 Cb 0.62 -1.15 0.00 0.00 2.15 0.00 0.00 33.22 34.84 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 -0.83 -0.04 -0.77 1.12 5.04 0.11 -4.71 117.35 117.27 2k22 s TYR 47 Ca 0.12 0.02 -0.10 0.00 -2.44 0.00 0.00 57.07 54.66 2k22 s TYR 47 Cb 0.07 0.01 0.20 0.00 0.35 0.00 0.00 41.96 42.59 2k22 s TYR 47 CO 0.09 -0.02 0.67 0.34 -1.34 0.00 0.00 175.55 175.29 2k22 s ASP 48 N 2.77 6.27 0.00 4.32 2.15 -0.94 -3.55 116.67 127.69 2k22 s ASP 48 Ca 0.29 -2.77 0.00 0.00 0.43 0.00 0.00 52.55 50.50 2k22 s ASP 48 Cb 0.02 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 2k22 s ASP 48 CO -0.21 -0.50 0.00 0.61 -0.17 0.00 0.00 175.17 174.90 2k22 n GLY 49 N 3.78 2.07 0.06 2.66 0.00 -1.26 -3.81 105.19 108.68 2k22 n GLY 49 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 4.71 3.06 -4.40 1.61 3.02 -1.26 -5.09 115.26 116.91 2k22 n ASN 50 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 2k22 n ASN 50 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 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 -3.86 2.67 0.99 6.41 2.20 -1.25 -5.05 114.94 117.04 2k22 s ASN 51 Ca 0.00 -1.13 -0.14 0.00 -0.94 0.00 0.00 52.86 50.64 2k22 s ASN 51 Cb 0.00 -0.15 0.03 0.00 -2.00 0.00 0.00 41.25 39.13 2k22 s ASN 51 CO 0.00 -0.28 0.20 0.18 -2.94 0.00 0.00 177.10 174.26 2k22 n LEU 52 N -0.51 -1.13 0.01 3.54 7.99 -1.26 -2.21 117.00 123.43 2k22 n LEU 52 Ca -0.06 0.22 -0.01 0.00 -0.01 0.00 0.00 56.01 56.14 2k22 n LEU 52 Cb 0.62 -1.11 -0.01 0.00 -0.11 0.00 0.00 43.42 42.82 2k22 n LEU 52 CO 0.38 -3.68 0.06 0.15 -1.51 0.00 0.00 177.39 172.78 2k22 h PHE 53 N -1.62 -0.07 0.00 -1.77 3.04 -1.81 -3.43 116.94 111.28 2k22 h PHE 53 Ca -0.46 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.42 2k22 h PHE 53 Cb 1.30 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.82 2k22 h PHE 53 CO 0.32 -0.04 -0.61 -0.22 -2.02 0.00 0.00 178.31 175.74 2k22 h LYS 54 N -0.52 0.00 0.00 1.11 1.63 -1.93 -3.48 116.57 113.38 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 0.41 0.00 0.09 -3.45 0.00 0.00 179.45 176.52 2k22 n ASN 55 N -4.58 0.00 -4.77 4.20 5.03 -1.26 -4.93 115.26 108.94 2k22 n ASN 55 Ca -0.14 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 54.91 2k22 n ASN 55 Cb 0.37 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.12 2k22 n ASN 55 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2k22 s VAL 56 N 0.00 2.77 -0.24 2.41 1.01 -1.26 -3.67 120.40 121.42 2k22 s VAL 56 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2k22 s VAL 56 Cb 0.00 -3.47 0.06 0.00 0.00 0.00 0.00 36.38 32.97 2k22 s VAL 56 CO 0.00 0.17 -0.03 -0.63 0.00 0.00 0.00 175.10 174.61 2k22 s ILE 57 N -1.17 1.38 -0.04 2.22 1.01 0.12 -4.86 121.20 119.85 2k22 s ILE 57 Ca 0.50 -1.17 0.06 0.00 0.00 0.00 0.00 60.65 60.04 2k22 s ILE 57 Cb -0.39 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 2k22 s ILE 57 CO 0.51 -0.16 -0.22 -0.51 0.00 0.00 0.00 174.94 174.56 2k22 s ILE 58 N 1.45 1.80 -0.02 2.92 2.07 -1.26 -0.09 121.20 128.08 2k22 s ILE 58 Ca -0.04 -0.94 0.07 0.00 -1.41 0.00 0.00 60.65 58.34 2k22 s ILE 58 Cb -0.19 -1.52 -0.02 0.00 0.13 0.00 0.00 42.46 40.86 2k22 s ILE 58 CO -0.07 0.51 -0.24 -0.76 -1.91 0.00 0.00 174.94 172.46 2k22 s LEU 59 N -0.17 2.04 -0.26 8.50 1.43 -1.06 -4.92 118.68 124.24 2k22 s LEU 59 Ca -0.01 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 2k22 s LEU 59 Cb -0.12 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 2k22 s LEU 59 CO 0.02 0.29 0.07 -0.69 0.23 0.00 0.00 176.35 176.27 2k22 s VAL 60 N -0.51 4.13 -1.35 -1.59 1.01 -1.25 -2.47 120.40 118.37 2k22 s VAL 60 Ca 0.08 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 2k22 s VAL 60 Cb -0.10 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.30 2k22 s VAL 60 CO -0.00 0.26 1.18 -3.20 0.00 0.00 0.00 175.10 173.34 2k22 n ASN 61 N 4.90 -6.24 -2.20 3.32 2.85 0.55 -1.65 115.26 116.79 2k22 n ASN 61 Ca -0.16 -0.54 -0.16 0.00 -0.11 0.00 0.00 54.58 53.61 2k22 n ASN 61 Cb 0.50 -5.03 -0.02 0.00 1.24 0.00 0.00 39.78 36.47 2k22 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k22 n GLY 62 N -1.98 -0.03 3.31 8.20 0.00 -1.26 -4.87 105.19 108.56 2k22 n GLY 62 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.11 -1.19 -0.03 1.61 0.01 -0.66 -5.13 114.94 107.44 2k22 s ASN 63 Ca 0.00 1.09 -0.36 0.00 -0.71 0.00 0.00 52.86 52.88 2k22 s ASN 63 Cb 0.00 2.14 -0.14 0.00 0.41 0.00 0.00 41.25 43.66 2k22 s ASN 63 CO 0.00 -0.25 1.68 -0.46 -1.51 0.00 0.00 177.10 176.56 2k22 n ASN 64 N 5.43 2.81 -0.03 -1.22 6.94 -1.26 -3.78 115.26 124.15 2k22 n ASN 64 Ca -0.05 1.05 0.16 0.00 -0.02 0.00 0.00 54.58 55.72 2k22 n ASN 64 Cb 0.50 -1.31 0.61 0.00 -2.36 0.00 0.00 39.78 37.22 2k22 n ASN 64 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 2k22 h ILE 65 N 4.55 0.81 -0.16 1.53 3.07 -1.83 0.59 117.51 126.06 2k22 h ILE 65 Ca -0.47 -0.06 0.05 0.00 1.55 0.00 0.00 64.86 65.93 2k22 h ILE 65 Cb 1.29 0.62 -0.01 0.00 -0.27 0.00 0.00 36.82 38.45 2k22 h ILE 65 CO 0.91 0.03 0.15 0.71 -1.05 0.00 0.00 178.15 178.90 2k22 h THR 66 N 0.18 0.63 -0.79 0.16 1.35 -1.85 -1.31 112.91 111.28 2k22 h THR 66 Ca 0.26 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.28 2k22 h THR 66 Cb 0.78 0.89 -0.11 0.00 -1.73 0.00 0.00 68.15 67.98 2k22 h THR 66 CO -0.04 0.00 0.29 -1.28 -0.25 0.00 0.00 175.52 174.24 2k22 h SER 67 N 0.00 0.21 0.00 5.36 0.87 -1.23 -3.40 113.55 115.36 2k22 h SER 67 Ca 0.08 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2k22 h SER 67 Cb 0.37 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2k22 h SER 67 CO -0.00 0.04 0.00 1.15 -0.53 0.00 0.00 176.83 177.48 2k22 n MET 68 N -5.06 0.00 -4.97 2.24 -0.00 -0.82 -5.09 117.12 103.43 2k22 n MET 68 Ca 0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.58 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 -0.48 2.36 0.00 3.17 1.02 -0.56 -5.06 119.74 120.20 2k22 s LYS 69 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.30 2k22 s LYS 69 Cb 0.00 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2k22 s LYS 69 CO 0.00 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 2k22 n GLY 70 N 3.48 -2.00 0.16 -3.33 0.00 -1.23 -3.04 105.19 99.23 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 -0.02 0.99 5.85 -1.95 -2.95 115.31 117.23 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 -2.57 0.05 -4.70 1.25 9.92 -1.26 -2.97 116.55 116.26 2k22 n ASP 72 Ca 0.04 0.51 -0.42 0.00 -0.53 0.00 0.00 54.79 54.39 2k22 n ASP 72 Cb 0.40 -0.52 -0.03 0.00 -0.64 0.00 0.00 41.12 40.33 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 -3.01 2.36 0.76 -3.53 2.01 -1.11 -4.88 115.64 108.24 2k22 s THR 73 Ca 0.11 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.07 2k22 s THR 73 Cb 0.15 -3.05 0.05 0.00 0.01 0.00 0.00 72.50 69.65 2k22 s THR 73 CO 0.42 0.00 1.14 -1.83 -0.69 0.00 0.00 174.62 173.66 2k22 s GLU 74 N 2.02 2.36 -0.14 4.92 -1.05 -1.26 -2.35 118.70 123.21 2k22 s GLU 74 Ca 0.78 0.26 -0.08 0.00 -0.15 0.00 0.00 54.97 55.78 2k22 s GLU 74 Cb -0.47 -1.99 0.05 0.00 -0.44 0.00 0.00 34.13 31.28 2k22 s GLU 74 CO 0.34 -1.34 0.33 0.96 0.95 0.00 0.00 175.26 176.50 2k22 s ILE 75 N -3.48 -0.03 0.49 1.83 -4.36 -0.53 -4.82 121.20 110.30 2k22 s ILE 75 Ca 0.60 0.11 0.08 0.00 -0.26 0.00 0.00 60.65 61.18 2k22 s ILE 75 Cb -0.11 -0.49 0.03 0.00 1.25 0.00 0.00 42.46 43.13 2k22 s ILE 75 CO 0.50 0.04 0.52 -0.54 0.24 0.00 0.00 174.94 175.71 2k22 s LYS 76 N 1.22 2.46 0.59 0.37 1.02 -1.26 -4.40 119.74 119.75 2k22 s LYS 76 Ca -0.09 -1.63 0.29 0.00 0.02 0.00 0.00 55.97 54.57 2k22 s LYS 76 Cb -0.09 -2.44 1.63 0.00 -0.52 0.00 0.00 37.83 36.41 2k22 s LYS 76 CO -0.10 -0.47 2.06 0.38 -0.92 0.00 0.00 175.35 176.30 2k22 h ASP 77 N 0.69 0.00 1.35 2.83 2.03 -1.99 0.25 116.42 121.58 2k22 h ASP 77 Ca -0.37 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.81 2k22 h ASP 77 Cb 1.28 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.77 2k22 h ASP 77 CO 0.51 0.00 -0.56 0.44 -1.03 0.00 0.00 179.24 178.60 2k22 h ASP 78 N 0.00 0.00 -3.18 4.15 3.32 -1.94 -3.40 116.42 115.36 2k22 h ASP 78 Ca 0.11 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.58 2k22 h ASP 78 Cb 0.61 0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.33 2k22 h ASP 78 CO -0.00 0.56 -0.24 -0.90 -1.72 0.00 0.00 179.24 176.94 2k22 n ASP 79 N -3.28 -0.54 -3.70 6.45 5.75 0.87 -5.00 116.55 117.11 2k22 n ASP 79 Ca 0.01 0.73 -0.12 0.00 -0.01 0.00 0.00 54.79 55.41 2k22 n ASP 79 Cb 0.74 -1.24 -0.12 0.00 -1.03 0.00 0.00 41.12 39.47 2k22 n ASP 79 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2k22 s LYS 80 N -2.38 0.24 -0.10 0.11 -2.85 -1.26 -4.21 119.74 109.30 2k22 s LYS 80 Ca 0.71 0.70 -0.04 0.00 -1.00 0.00 0.00 55.97 56.34 2k22 s LYS 80 Cb -0.42 -0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.28 2k22 s LYS 80 CO 0.52 -0.21 0.06 0.42 0.10 0.00 0.00 175.35 176.25 2k22 s ILE 81 N 1.76 4.79 0.01 3.79 1.09 0.92 -0.33 121.20 133.23 2k22 s ILE 81 Ca -0.06 -0.07 0.01 0.00 -1.10 0.00 0.00 60.65 59.44 2k22 s ILE 81 Cb -0.11 -3.05 -0.01 0.00 -1.06 0.00 0.00 42.46 38.24 2k22 s ILE 81 CO -0.10 0.61 -0.05 -1.81 -0.10 0.00 0.00 174.94 173.49 2k22 s ASP 82 N -0.96 0.58 -0.22 3.58 1.01 -1.03 -2.03 116.67 117.60 2k22 s ASP 82 Ca 0.14 -0.23 -0.03 0.00 0.71 0.00 0.00 52.55 53.14 2k22 s ASP 82 Cb -0.12 -0.02 0.00 0.00 1.01 0.00 0.00 42.92 43.79 2k22 s ASP 82 CO 0.03 -0.04 -0.06 -0.22 0.21 0.00 0.00 175.17 175.09 2k22 s LEU 83 N -0.58 2.88 -0.12 1.23 1.98 -1.09 -2.55 118.68 120.43 2k22 s LEU 83 Ca -0.03 -0.51 -0.02 0.00 -2.89 0.00 0.00 54.13 50.68 2k22 s LEU 83 Cb -0.04 -1.70 -0.03 0.00 0.66 0.00 0.00 46.19 45.08 2k22 s LEU 83 CO -0.00 -0.04 -0.03 -0.36 -1.89 0.00 0.00 176.35 174.03 2k22 s PHE 84 N 1.43 3.05 0.84 5.38 0.08 0.87 -4.32 117.98 125.32 2k22 s PHE 84 Ca 0.05 -0.08 -0.11 0.00 0.12 0.00 0.00 56.93 56.91 2k22 s PHE 84 Cb -0.15 -1.86 0.09 0.00 -0.57 0.00 0.00 43.02 40.54 2k22 s PHE 84 CO -0.05 0.19 1.09 -1.25 -0.10 0.00 0.00 175.22 175.11 2k22 s PRO 85 N -0.24 1.73 0.57 0.24 0.04 -1.26 -0.71 135.00 135.37 2k22 s PRO 85 Ca 0.05 0.98 -0.19 0.00 0.04 0.00 0.00 61.00 61.88 2k22 s PRO 85 Cb -0.13 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2k22 s PRO 85 CO 0.02 -1.96 1.13 -1.25 0.04 0.00 0.00 177.00 174.98 2k22 s PRO 86 N -4.92 3.24 0.56 0.56 0.04 -1.24 -4.55 135.00 128.69 2k22 s PRO 86 Ca 0.62 1.57 0.26 0.00 0.04 0.00 0.00 61.00 63.49 2k22 s PRO 86 Cb -0.18 -1.99 1.50 0.00 0.04 0.00 0.00 34.50 33.87 2k22 s PRO 86 CO 0.56 -0.93 2.04 -0.39 0.04 0.00 0.00 177.00 178.32 2k22 h VAL 87 N 0.95 0.60 0.00 -0.36 -1.51 -1.92 0.15 116.25 114.16 2k22 h VAL 87 Ca -0.49 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 64.82 2k22 h VAL 87 Cb 1.26 0.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.18 2k22 h VAL 87 CO 0.56 0.00 -0.85 0.00 -1.23 0.00 0.00 177.57 176.05 2k22 h ALA 88 N 1.73 0.57 -2.90 5.19 0.00 -1.93 -3.39 119.26 118.53 2k22 h ALA 88 Ca 0.16 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2k22 h ALA 88 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k22 h ALA 88 CO -0.00 0.93 0.00 0.41 0.00 0.00 0.00 179.25 180.58 2k22 n GLY 89 N 1.31 -0.49 0.76 0.00 0.00 0.52 -5.21 105.19 102.07 2k22 n GLY 89 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93