#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 2.12 -0.15 1.12 -7.23 0.88 -3.97 120.40 113.17 2k22 s VAL 2 Ca 0.00 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.12 2k22 s VAL 2 Cb 0.00 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 2k22 s VAL 2 CO 0.00 0.56 0.02 -0.89 -0.31 0.00 0.00 175.10 174.48 2k22 s THR 3 N 0.26 4.40 -0.17 5.32 2.01 -1.26 -1.88 115.64 124.33 2k22 s THR 3 Ca -0.16 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 2k22 s THR 3 Cb -0.17 -2.94 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 2k22 s THR 3 CO 0.08 0.50 -0.12 0.68 -0.69 0.00 0.00 174.62 175.08 2k22 s VAL 4 N 0.11 2.96 0.04 3.82 -7.23 -1.26 -0.99 120.40 117.87 2k22 s VAL 4 Ca 0.02 -0.66 0.05 0.00 -1.81 0.00 0.00 61.98 59.58 2k22 s VAL 4 Cb -0.13 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2k22 s VAL 4 CO 0.02 0.49 -0.09 -0.13 -0.31 0.00 0.00 175.10 175.08 2k22 s ARG 5 N 0.90 2.35 -0.01 4.82 0.52 -0.87 -4.55 118.95 122.11 2k22 s ARG 5 Ca -0.03 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 2k22 s ARG 5 Cb -0.15 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.93 2k22 s ARG 5 CO -0.00 0.56 -0.01 0.71 0.02 0.00 0.00 175.30 176.57 2k22 s TYR 6 N -1.07 0.16 0.22 -0.53 2.02 -1.26 -2.86 117.35 114.04 2k22 s TYR 6 Ca 0.18 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.89 2k22 s TYR 6 Cb -0.11 -0.14 0.04 0.00 -0.40 0.00 0.00 41.96 41.35 2k22 s TYR 6 CO 0.10 -0.03 0.31 0.66 -1.57 0.00 0.00 175.55 175.02 2k22 n TYR 7 N 3.27 -2.96 -0.26 2.71 4.02 -1.24 -4.80 117.16 117.90 2k22 n TYR 7 Ca -0.15 -0.68 0.22 0.00 -0.01 0.00 0.00 57.90 57.27 2k22 n TYR 7 Cb 0.58 -0.22 0.55 0.00 -0.02 0.00 0.00 39.34 40.23 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 -0.01 2.34 -0.73 -0.72 0.00 -1.98 0.26 119.26 118.43 2k22 h ALA 8 Ca -0.10 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2k22 h ALA 8 Cb 0.43 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2k22 h ALA 8 CO 0.13 -0.66 0.48 1.79 0.00 0.00 0.00 179.25 180.99 2k22 h THR 9 N 0.33 1.02 -0.11 0.00 1.35 -1.96 -2.15 112.91 111.39 2k22 h THR 9 Ca 0.50 -0.26 -0.03 0.00 -0.55 0.00 0.00 66.41 66.07 2k22 h THR 9 Cb 1.39 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 2k22 h THR 9 CO -0.18 0.14 -0.15 0.18 -0.25 0.00 0.00 175.52 175.26 2k22 n LEU 10 N -4.48 3.02 0.27 3.87 4.77 0.64 -4.76 117.00 120.34 2k22 n LEU 10 Ca 0.11 -3.42 -0.13 0.00 -0.03 0.00 0.00 56.01 52.54 2k22 n LEU 10 Cb 0.23 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.74 2k22 n LEU 10 CO 0.34 0.99 0.40 -0.09 -1.33 0.00 0.00 177.39 177.69 2k22 h ARG 11 N 0.75 -0.70 0.00 3.23 2.43 -0.07 -0.74 114.38 119.29 2k22 h ARG 11 Ca 0.04 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2k22 h ARG 11 Cb 1.19 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 2k22 h ARG 11 CO 0.11 -0.40 0.00 -0.35 -1.51 0.00 0.00 179.97 177.81 2k22 n PRO 12 N -5.28 0.09 -0.07 0.20 -0.04 -1.26 -2.49 135.00 126.15 2k22 n PRO 12 Ca -0.10 0.21 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2k22 n PRO 12 Cb 0.32 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.41 1.51 -0.50 0.52 5.41 -1.17 -4.19 119.36 119.54 2k22 n ILE 13 Ca 0.05 -0.78 0.01 0.00 1.00 0.00 0.00 62.75 63.03 2k22 n ILE 13 Cb 0.15 -0.90 0.28 0.00 -0.71 0.00 0.00 39.64 38.46 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 -2.98 2.22 -4.48 1.39 5.66 -0.29 -4.80 114.28 111.00 2k22 n THR 14 Ca -0.29 -1.14 -0.41 0.00 -3.05 0.00 0.00 64.05 59.15 2k22 n THR 14 Cb 1.09 -0.38 -0.08 0.00 -1.55 0.00 0.00 70.33 69.41 2k22 n THR 14 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2k22 n LYS 15 N 0.24 -0.83 -4.05 1.09 2.85 -1.16 -1.01 118.16 115.29 2k22 n LYS 15 Ca 0.26 0.14 -0.42 0.00 -1.05 0.00 0.00 58.31 57.24 2k22 n LYS 15 Cb 1.06 -4.72 0.02 0.00 -0.65 0.00 0.00 35.03 30.73 2k22 n LYS 15 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2k22 n LYS 16 N -4.01 -0.30 -3.64 -1.58 2.85 -1.04 -4.93 118.16 105.51 2k22 n LYS 16 Ca 0.12 -0.02 -0.06 0.00 -1.05 0.00 0.00 58.31 57.29 2k22 n LYS 16 Cb 0.45 -2.01 -0.08 0.00 -0.65 0.00 0.00 35.03 32.75 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 -7.20 0.41 0.02 -1.58 2.20 -0.18 -5.16 119.74 108.24 2k22 s LYS 17 Ca 0.43 1.15 0.07 0.00 -0.36 0.00 0.00 55.97 57.27 2k22 s LYS 17 Cb -0.24 0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 36.53 2k22 s LYS 17 CO 0.85 -0.26 -0.21 -2.00 -0.36 0.00 0.00 175.35 173.38 2k22 s GLU 18 N 2.71 2.07 0.18 4.03 2.12 -1.26 -4.97 118.70 123.57 2k22 s GLU 18 Ca -0.02 -0.97 -0.19 0.00 0.36 0.00 0.00 54.97 54.16 2k22 s GLU 18 Cb -0.12 -2.13 0.04 0.00 0.26 0.00 0.00 34.13 32.18 2k22 s GLU 18 CO -0.15 0.55 0.53 -2.00 -0.54 0.00 0.00 175.26 173.65 2k22 s GLU 19 N -1.11 1.32 0.10 4.30 2.56 -1.26 -5.09 118.70 119.51 2k22 s GLU 19 Ca 0.12 -0.76 0.04 0.00 0.00 0.00 0.00 54.97 54.38 2k22 s GLU 19 Cb -0.10 0.53 -0.04 0.00 2.00 0.00 0.00 34.13 36.52 2k22 s GLU 19 CO 0.02 -0.56 0.05 0.95 -0.56 0.00 0.00 175.26 175.16 2k22 s THR 20 N -3.84 4.26 0.02 -1.70 -4.23 -1.26 -4.01 115.64 104.88 2k22 s THR 20 Ca 0.06 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.69 2k22 s THR 20 Cb -0.01 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 2k22 s THR 20 CO -0.06 0.09 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.61 2k22 s PHE 21 N -1.41 1.18 0.30 3.99 0.08 -0.79 -4.91 117.98 116.42 2k22 s PHE 21 Ca 0.28 -0.30 0.11 0.00 0.12 0.00 0.00 56.93 57.13 2k22 s PHE 21 Cb -0.12 -0.72 -0.05 0.00 -0.57 0.00 0.00 43.02 41.56 2k22 s PHE 21 CO 0.20 0.01 -0.11 0.54 -0.10 0.00 0.00 175.22 175.77 2k22 s ASN 22 N -0.81 3.91 0.00 1.36 2.20 -1.26 -0.08 114.94 120.25 2k22 s ASN 22 Ca 0.03 -0.96 0.00 0.00 -0.94 0.00 0.00 52.86 50.98 2k22 s ASN 22 Cb -0.07 -0.46 0.00 0.00 -2.00 0.00 0.00 41.25 38.72 2k22 s ASN 22 CO 0.01 -0.05 0.00 0.61 -2.94 0.00 0.00 177.10 174.73 2k22 n GLY 23 N -0.76 1.56 3.77 0.45 0.00 -1.26 -4.96 105.19 103.99 2k22 n GLY 23 Ca -0.05 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 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 2.63 -0.59 -0.61 -1.09 -1.26 -4.96 121.20 115.33 2k22 s ILE 24 Ca 0.00 0.61 0.04 0.00 -2.23 0.00 0.00 60.65 59.07 2k22 s ILE 24 Cb 0.00 -3.38 0.38 0.00 -1.58 0.00 0.00 42.46 37.88 2k22 s ILE 24 CO 0.00 0.13 1.24 -1.20 -1.23 0.00 0.00 174.94 173.88 2k22 n SER 25 N 0.54 5.23 -3.68 3.58 7.64 -1.26 -4.90 113.62 120.77 2k22 n SER 25 Ca 0.01 -3.72 -0.13 0.00 1.01 0.00 0.00 58.87 56.04 2k22 n SER 25 Cb 0.42 -0.63 -0.07 0.00 -1.01 0.00 0.00 64.21 62.92 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 -3.66 0.87 0.38 1.43 1.02 -1.26 -1.41 119.74 117.11 2k22 s LYS 26 Ca 0.48 -0.30 0.20 0.00 0.02 0.00 0.00 55.97 56.37 2k22 s LYS 26 Cb 0.35 0.39 0.55 0.00 -0.52 0.00 0.00 37.83 38.60 2k22 s LYS 26 CO -0.20 -0.29 1.66 0.82 -0.92 0.00 0.00 175.35 176.43 2k22 h ILE 27 N 3.19 0.63 0.14 2.17 1.08 -1.52 -2.89 117.51 120.31 2k22 h ILE 27 Ca -0.31 -1.52 0.01 0.00 -0.39 0.00 0.00 64.86 62.65 2k22 h ILE 27 Cb 1.19 2.03 -0.02 0.00 -3.07 0.00 0.00 36.82 36.95 2k22 h ILE 27 CO 0.43 0.30 -0.20 -1.28 -0.69 0.00 0.00 178.15 176.71 2k22 h SER 28 N 0.00 -0.55 0.72 1.72 0.87 -1.74 0.18 113.55 114.76 2k22 h SER 28 Ca -0.00 0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.46 2k22 h SER 28 Cb 1.01 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 2k22 h SER 28 CO 0.04 -0.29 -0.72 -0.33 -0.53 0.00 0.00 176.83 175.00 2k22 h GLU 29 N -0.40 0.01 0.05 2.24 3.07 -1.89 -1.70 114.58 115.95 2k22 h GLU 29 Ca 0.02 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2k22 h GLU 29 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 2k22 h GLU 29 CO -0.09 0.73 -0.02 1.25 -1.40 0.00 0.00 179.01 179.48 2k22 h LEU 30 N 0.00 -0.05 -0.32 1.33 5.85 -1.24 0.27 115.31 121.15 2k22 h LEU 30 Ca -0.01 -0.21 -0.19 0.00 0.84 0.00 0.00 57.88 58.32 2k22 h LEU 30 Cb 1.28 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2k22 h LEU 30 CO 0.09 0.18 -0.55 -0.07 -0.34 0.00 0.00 178.44 177.75 2k22 h LEU 31 N -0.29 0.95 -1.27 2.25 3.38 -0.70 -1.39 115.31 118.24 2k22 h LEU 31 Ca -0.01 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 2k22 h LEU 31 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2k22 h LEU 31 CO 0.01 1.30 0.03 -0.08 0.09 0.00 0.00 178.44 179.80 2k22 h GLU 32 N 0.65 0.52 0.01 1.13 4.81 -1.29 0.27 114.58 120.68 2k22 h GLU 32 Ca 0.01 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2k22 h GLU 32 Cb 1.16 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2k22 h GLU 32 CO 0.12 0.53 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.83 2k22 h ARG 33 N 0.51 -0.01 -0.10 1.92 2.43 -0.86 -3.30 114.38 114.97 2k22 h ARG 33 Ca 0.11 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2k22 h ARG 33 Cb 0.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2k22 h ARG 33 CO 0.00 0.78 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.02 2k22 h LEU 34 N -0.86 0.14 -0.39 3.80 3.38 -1.18 -2.15 115.31 118.06 2k22 h LEU 34 Ca -0.00 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.02 2k22 h LEU 34 Cb 0.80 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 2k22 h LEU 34 CO 0.00 0.32 -0.10 0.50 0.09 0.00 0.00 178.44 179.25 2k22 h LYS 35 N 0.15 -0.00 -0.00 1.13 3.64 -0.55 -0.85 116.57 120.09 2k22 h LYS 35 Ca 0.03 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.18 2k22 h LYS 35 Cb 0.37 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2k22 h LYS 35 CO 0.02 -0.00 -0.95 0.28 -2.27 0.00 0.00 179.45 176.53 2k22 h VAL 36 N -0.00 1.38 -0.34 2.00 2.07 -1.60 0.33 116.25 120.09 2k22 h VAL 36 Ca 0.19 -2.41 0.07 0.00 0.82 0.00 0.00 66.70 65.36 2k22 h VAL 36 Cb 0.28 2.41 -0.07 0.00 -1.52 0.00 0.00 31.29 32.39 2k22 h VAL 36 CO -0.40 0.72 -0.11 -0.08 0.02 0.00 0.00 177.57 177.73 2k22 h GLU 37 N 0.26 -0.03 -0.00 1.57 4.57 -0.72 -2.23 114.58 117.99 2k22 h GLU 37 Ca -0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2k22 h GLU 37 Cb 1.59 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.19 2k22 h GLU 37 CO 0.17 -0.02 -0.75 0.66 -1.18 0.00 0.00 179.01 177.89 2k22 n TYR 38 N -5.30 0.00 0.00 0.92 4.01 -0.39 -5.08 117.16 111.33 2k22 n TYR 38 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2k22 n TYR 38 Cb 0.21 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 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 1.48 0.21 0.26 2.72 0.00 0.12 -4.32 105.19 105.66 2k22 n GLY 39 Ca 0.06 -1.83 0.03 0.00 0.00 0.00 0.00 46.02 44.28 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 0.27 -0.79 1.61 0.02 -1.88 -2.15 113.55 110.63 2k22 h SER 40 Ca 0.00 -0.03 0.20 0.00 -0.84 0.00 0.00 61.79 61.11 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 0.32 0.55 -0.33 -1.14 0.00 0.00 176.83 176.23 2k22 h GLU 41 N 0.30 0.21 0.07 3.45 5.08 -1.88 0.25 114.58 122.05 2k22 h GLU 41 Ca 0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k22 h GLU 41 Cb 0.20 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2k22 h GLU 41 CO 0.00 0.14 -0.03 0.35 -1.00 0.00 0.00 179.01 178.47 2k22 h PHE 42 N 0.21 -0.09 -0.85 4.33 3.04 -1.57 -1.79 116.94 120.22 2k22 h PHE 42 Ca 0.39 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.37 2k22 h PHE 42 Cb 1.22 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 39.71 2k22 h PHE 42 CO -0.00 0.49 0.56 1.15 -2.02 0.00 0.00 178.31 178.49 2k22 h THR 43 N -0.86 1.16 0.00 4.41 2.02 -1.36 0.21 112.91 118.49 2k22 h THR 43 Ca -0.01 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.70 2k22 h THR 43 Cb 0.61 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2k22 h THR 43 CO 0.02 0.20 -0.48 0.11 0.37 0.00 0.00 175.52 175.74 2k22 h LYS 44 N 1.08 0.00 0.10 6.66 1.79 -0.62 0.26 116.57 125.84 2k22 h LYS 44 Ca 0.33 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.53 2k22 h LYS 44 Cb -0.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2k22 h LYS 44 CO -0.09 0.48 -1.26 0.37 -1.08 0.00 0.00 179.45 177.87 2k22 h GLN 45 N 0.00 0.21 -0.38 3.15 5.75 -0.31 -3.25 115.11 120.28 2k22 h GLN 45 Ca -0.00 -0.35 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 2k22 h GLN 45 Cb 1.10 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.78 2k22 h GLN 45 CO 0.06 1.14 0.00 0.00 -2.65 0.00 0.00 178.83 177.38 2k22 n MET 46 N -3.47 2.42 -3.08 1.69 0.00 0.63 -4.39 117.12 110.92 2k22 n MET 46 Ca -0.08 -2.22 0.05 0.00 0.00 0.00 0.00 57.70 55.44 2k22 n MET 46 Cb 1.01 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.76 2k22 n MET 46 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 2k22 s TYR 47 N -1.37 -0.60 -0.48 3.17 5.04 0.90 -4.69 117.35 119.32 2k22 s TYR 47 Ca 0.36 0.30 0.03 0.00 -2.44 0.00 0.00 57.07 55.32 2k22 s TYR 47 Cb 0.21 0.10 0.12 0.00 0.35 0.00 0.00 41.96 42.75 2k22 s TYR 47 CO 0.29 -0.36 0.22 0.34 -1.34 0.00 0.00 175.55 174.70 2k22 s ASP 48 N 2.73 4.53 0.00 4.32 -1.08 0.88 -3.75 116.67 124.30 2k22 s ASP 48 Ca 0.24 -2.75 0.00 0.00 -0.52 0.00 0.00 52.55 49.52 2k22 s ASP 48 Cb -0.02 -1.66 0.00 0.00 -1.46 0.00 0.00 42.92 39.79 2k22 s ASP 48 CO -0.21 -0.29 0.00 0.61 0.52 0.00 0.00 175.17 175.80 2k22 n GLY 49 N 3.48 0.75 2.62 2.66 0.00 -1.26 -3.75 105.19 109.70 2k22 n GLY 49 Ca 0.05 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 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 0.35 -5.05 -3.64 1.61 3.02 -1.26 -4.94 115.26 105.36 2k22 n ASN 50 Ca 0.00 0.13 -0.15 0.00 -0.03 0.00 0.00 54.58 54.53 2k22 n ASN 50 Cb 0.39 -3.02 -0.07 0.00 -0.61 0.00 0.00 39.78 36.46 2k22 n ASN 50 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2k22 s ASN 51 N -2.30 -0.44 0.93 6.41 3.84 -1.25 -5.12 114.94 117.01 2k22 s ASN 51 Ca 0.00 0.48 -0.10 0.00 0.21 0.00 0.00 52.86 53.44 2k22 s ASN 51 Cb 0.00 0.50 0.15 0.00 -0.55 0.00 0.00 41.25 41.35 2k22 s ASN 51 CO 0.00 -0.50 1.13 -0.76 -2.79 0.00 0.00 177.10 174.19 2k22 s LEU 52 N -1.10 2.67 -0.04 3.21 2.01 -1.26 -0.09 118.68 124.08 2k22 s LEU 52 Ca -0.11 2.10 -0.02 0.00 0.01 0.00 0.00 54.13 56.11 2k22 s LEU 52 Cb -0.03 -4.46 -0.01 0.00 0.01 0.00 0.00 46.19 41.71 2k22 s LEU 52 CO 0.07 -3.13 0.15 0.15 1.01 0.00 0.00 176.35 174.59 2k22 h PHE 53 N -1.89 -0.07 0.00 0.29 3.57 -1.86 -3.43 116.94 113.54 2k22 h PHE 53 Ca -0.45 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 2k22 h PHE 53 Cb 1.27 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 2k22 h PHE 53 CO 0.49 -0.05 -0.57 -0.22 -2.23 0.00 0.00 178.31 175.74 2k22 h LYS 54 N -0.53 0.00 0.00 1.11 1.63 -1.94 -3.48 116.57 113.35 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 0.37 0.00 0.09 -3.45 0.00 0.00 179.45 176.47 2k22 n ASN 55 N -4.60 0.00 -4.77 4.20 5.03 -1.26 -4.98 115.26 108.89 2k22 n ASN 55 Ca -0.13 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.92 2k22 n ASN 55 Cb 0.35 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.09 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 2.71 -0.28 2.41 1.01 -1.26 -3.76 120.40 121.22 2k22 s VAL 56 Ca 0.00 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2k22 s VAL 56 Cb 0.00 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.99 2k22 s VAL 56 CO 0.00 0.16 -0.05 -0.63 0.00 0.00 0.00 175.10 174.59 2k22 s ILE 57 N -1.15 2.58 -0.04 2.22 1.01 -0.35 -4.87 121.20 120.60 2k22 s ILE 57 Ca 0.50 -1.54 0.06 0.00 0.00 0.00 0.00 60.65 59.66 2k22 s ILE 57 Cb -0.40 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2k22 s ILE 57 CO 0.53 -0.09 -0.22 -0.51 0.00 0.00 0.00 174.94 174.64 2k22 s ILE 58 N 1.17 1.81 0.30 2.92 2.07 -1.26 -0.86 121.20 127.35 2k22 s ILE 58 Ca -0.06 -0.94 0.09 0.00 -1.41 0.00 0.00 60.65 58.33 2k22 s ILE 58 Cb -0.20 -1.53 -0.05 0.00 0.13 0.00 0.00 42.46 40.81 2k22 s ILE 58 CO -0.03 0.51 0.02 -0.76 -1.91 0.00 0.00 174.94 172.76 2k22 s LEU 59 N -0.18 3.12 -0.20 8.50 2.01 -1.09 -4.85 118.68 125.98 2k22 s LEU 59 Ca -0.01 -0.77 -0.04 0.00 0.01 0.00 0.00 54.13 53.31 2k22 s LEU 59 Cb -0.12 -1.60 0.07 0.00 0.01 0.00 0.00 46.19 44.55 2k22 s LEU 59 CO 0.02 -0.11 0.08 -0.69 1.01 0.00 0.00 176.35 176.66 2k22 s VAL 60 N -2.40 0.12 -1.34 -1.59 1.01 -1.20 -2.56 120.40 112.45 2k22 s VAL 60 Ca 0.33 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 2k22 s VAL 60 Cb -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2k22 s VAL 60 CO 0.20 -0.35 0.50 -3.20 0.00 0.00 0.00 175.10 172.25 2k22 n ASN 61 N 5.19 -5.45 -2.26 3.32 4.05 -0.34 -2.38 115.26 117.40 2k22 n ASN 61 Ca -0.07 -0.23 -0.15 0.00 0.45 0.00 0.00 54.58 54.58 2k22 n ASN 61 Cb 0.47 -4.30 0.04 0.00 1.23 0.00 0.00 39.78 37.22 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 -1.39 -0.05 3.34 8.20 0.00 -1.26 -4.92 105.19 109.10 2k22 n GLY 62 Ca -0.10 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.01 -0.02 0.21 1.61 3.84 -1.00 -5.14 114.94 111.43 2k22 s ASN 63 Ca 0.29 0.02 -0.32 0.00 0.21 0.00 0.00 52.86 53.06 2k22 s ASN 63 Cb -0.13 1.01 -0.12 0.00 -0.55 0.00 0.00 41.25 41.47 2k22 s ASN 63 CO 0.36 -0.00 1.72 0.54 -2.79 0.00 0.00 177.10 176.92 2k22 s ASN 64 N 1.65 6.38 0.48 -4.21 2.20 -1.26 -3.25 114.94 116.93 2k22 s ASN 64 Ca -0.02 2.87 0.19 0.00 -0.94 0.00 0.00 52.86 54.96 2k22 s ASN 64 Cb -0.01 -2.60 1.21 0.00 -2.00 0.00 0.00 41.25 37.85 2k22 s ASN 64 CO -0.14 -0.97 2.00 0.16 -2.94 0.00 0.00 177.10 175.21 2k22 h ILE 65 N 3.80 0.83 -0.18 0.54 3.07 -1.85 0.35 117.51 124.07 2k22 h ILE 65 Ca -0.43 -0.07 0.05 0.00 1.55 0.00 0.00 64.86 65.96 2k22 h ILE 65 Cb 1.20 0.61 -0.01 0.00 -0.27 0.00 0.00 36.82 38.36 2k22 h ILE 65 CO 0.95 0.04 0.17 0.71 -1.05 0.00 0.00 178.15 178.97 2k22 h THR 66 N 0.20 0.62 -0.80 0.16 1.35 -1.85 -1.23 112.91 111.36 2k22 h THR 66 Ca 0.25 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.28 2k22 h THR 66 Cb 0.71 0.87 -0.11 0.00 -1.73 0.00 0.00 68.15 67.90 2k22 h THR 66 CO -0.04 0.00 0.30 -1.28 -0.25 0.00 0.00 175.52 174.25 2k22 h SER 67 N 0.00 0.23 0.00 5.36 0.87 -1.28 -3.40 113.55 115.33 2k22 h SER 67 Ca 0.09 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2k22 h SER 67 Cb 0.42 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2k22 h SER 67 CO -0.00 0.04 0.00 1.15 -0.53 0.00 0.00 176.83 177.49 2k22 n MET 68 N -5.05 0.00 -4.93 2.24 -0.00 -0.79 -5.09 117.12 103.50 2k22 n MET 68 Ca 0.17 0.00 -0.28 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 33.55 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 -0.50 2.25 0.00 3.17 -0.14 -0.53 -5.06 119.74 118.93 2k22 s LYS 69 Ca 0.00 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 2k22 s LYS 69 Cb 0.00 -1.81 0.00 0.00 -1.68 0.00 0.00 37.83 34.34 2k22 s LYS 69 CO 0.00 0.17 0.00 0.41 -0.76 0.00 0.00 175.35 175.17 2k22 n GLY 70 N 3.45 -2.02 0.16 -3.33 0.00 -1.23 -3.06 105.19 99.16 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 1.41 0.00 0.00 0.00 173.32 174.73 2k22 h LEU 71 N 0.00 0.00 -0.07 0.99 4.07 -1.94 -2.93 115.31 115.43 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 -2.56 0.17 -4.70 -0.43 8.00 -1.26 -2.32 116.55 113.44 2k22 n ASP 72 Ca 0.04 0.53 -0.42 0.00 0.71 0.00 0.00 54.79 55.64 2k22 n ASP 72 Cb 0.39 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 2k22 n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2k22 s THR 73 N -3.04 2.35 0.67 -3.53 2.01 -1.11 -4.87 115.64 108.11 2k22 s THR 73 Ca 0.10 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 2k22 s THR 73 Cb 0.14 -3.04 -0.00 0.00 0.01 0.00 0.00 72.50 69.61 2k22 s THR 73 CO 0.43 0.00 1.05 -1.83 -0.69 0.00 0.00 174.62 173.59 2k22 s GLU 74 N 2.05 3.06 -0.08 4.92 -1.05 -1.26 -2.24 118.70 124.10 2k22 s GLU 74 Ca 0.78 0.47 -0.06 0.00 -0.15 0.00 0.00 54.97 56.02 2k22 s GLU 74 Cb -0.47 -2.07 0.03 0.00 -0.44 0.00 0.00 34.13 31.17 2k22 s GLU 74 CO 0.34 -0.87 0.19 0.96 0.95 0.00 0.00 175.26 176.84 2k22 s ILE 75 N -3.26 -0.02 0.49 1.83 -4.36 -0.50 -4.84 121.20 110.55 2k22 s ILE 75 Ca 0.57 0.06 0.07 0.00 -0.26 0.00 0.00 60.65 61.09 2k22 s ILE 75 Cb -0.11 -0.28 0.02 0.00 1.25 0.00 0.00 42.46 43.34 2k22 s ILE 75 CO 0.51 0.02 0.45 -1.59 0.24 0.00 0.00 174.94 174.58 2k22 s LYS 76 N 0.50 2.37 0.58 0.37 -2.85 -1.26 -4.39 119.74 115.06 2k22 s LYS 76 Ca -0.03 -1.77 0.28 0.00 -1.00 0.00 0.00 55.97 53.45 2k22 s LYS 76 Cb -0.05 -2.29 1.56 0.00 -2.06 0.00 0.00 37.83 34.99 2k22 s LYS 76 CO -0.02 -0.48 2.02 0.38 0.10 0.00 0.00 175.35 177.35 2k22 h ASP 77 N 0.79 0.00 1.46 0.03 2.03 -1.99 0.32 116.42 119.06 2k22 h ASP 77 Ca -0.38 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.82 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 0.55 0.00 -0.51 0.44 -1.03 0.00 0.00 179.24 178.69 2k22 h ASP 78 N 0.00 0.00 -2.76 4.15 5.19 -1.95 -3.40 116.42 117.65 2k22 h ASP 78 Ca 0.15 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.97 2k22 h ASP 78 Cb 0.77 0.00 0.16 0.00 0.18 0.00 0.00 39.33 40.44 2k22 h ASP 78 CO -0.00 0.51 -0.36 -0.90 -3.12 0.00 0.00 179.24 175.37 2k22 n ASP 79 N -3.24 -0.85 -3.70 6.45 5.75 0.11 -4.95 116.55 116.12 2k22 n ASP 79 Ca 0.02 0.81 -0.11 0.00 -0.01 0.00 0.00 54.79 55.50 2k22 n ASP 79 Cb 0.73 -1.16 -0.12 0.00 -1.03 0.00 0.00 41.12 39.54 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 -1.90 0.28 -0.09 0.11 -2.85 -1.26 -4.12 119.74 109.90 2k22 s LYS 80 Ca 0.66 0.70 -0.04 0.00 -1.00 0.00 0.00 55.97 56.30 2k22 s LYS 80 Cb -0.50 -0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.20 2k22 s LYS 80 CO 0.56 -0.19 0.06 0.42 0.10 0.00 0.00 175.35 176.30 2k22 s ILE 81 N 1.59 4.79 0.05 3.79 1.09 -0.16 -1.19 121.20 131.16 2k22 s ILE 81 Ca -0.07 -0.10 0.02 0.00 -1.10 0.00 0.00 60.65 59.40 2k22 s ILE 81 Cb -0.10 -3.06 -0.03 0.00 -1.06 0.00 0.00 42.46 38.21 2k22 s ILE 81 CO -0.10 0.58 -0.08 1.51 -0.10 0.00 0.00 174.94 176.75 2k22 s ASP 82 N -1.03 0.95 -0.10 3.58 1.47 -1.06 -2.05 116.67 118.43 2k22 s ASP 82 Ca 0.15 -0.63 0.01 0.00 1.18 0.00 0.00 52.55 53.26 2k22 s ASP 82 Cb -0.12 0.04 0.02 0.00 -0.34 0.00 0.00 42.92 42.52 2k22 s ASP 82 CO 0.04 -0.24 -0.13 -0.76 0.68 0.00 0.00 175.17 174.76 2k22 s LEU 83 N -1.83 1.60 0.04 2.11 2.01 -1.13 -2.69 118.68 118.78 2k22 s LEU 83 Ca -0.06 -0.38 0.08 0.00 0.01 0.00 0.00 54.13 53.79 2k22 s LEU 83 Cb -0.07 -0.98 -0.03 0.00 0.01 0.00 0.00 46.19 45.12 2k22 s LEU 83 CO -0.00 -0.01 -0.23 -0.36 1.01 0.00 0.00 176.35 176.75 2k22 s PHE 84 N 1.08 2.06 0.83 0.29 0.08 -0.03 -3.66 117.98 118.63 2k22 s PHE 84 Ca -0.06 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.49 2k22 s PHE 84 Cb -0.15 -1.24 0.09 0.00 -0.57 0.00 0.00 43.02 41.16 2k22 s PHE 84 CO -0.02 0.09 1.09 -1.25 -0.10 0.00 0.00 175.22 175.03 2k22 s PRO 85 N -1.13 1.77 0.57 0.24 0.04 -1.26 -1.21 135.00 134.03 2k22 s PRO 85 Ca 0.09 1.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.96 2k22 s PRO 85 Cb -0.09 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2k22 s PRO 85 CO 0.02 -1.93 1.12 -1.25 0.04 0.00 0.00 177.00 175.00 2k22 s PRO 86 N -4.92 3.23 0.55 0.56 0.04 -1.25 -4.46 135.00 128.75 2k22 s PRO 86 Ca 0.62 1.56 0.27 0.00 0.04 0.00 0.00 61.00 63.49 2k22 s PRO 86 Cb -0.18 -1.99 1.45 0.00 0.04 0.00 0.00 34.50 33.82 2k22 s PRO 86 CO 0.56 -0.94 1.97 -0.39 0.04 0.00 0.00 177.00 178.25 2k22 h VAL 87 N 0.93 0.62 0.00 -0.36 -1.51 -1.94 -2.98 116.25 111.01 2k22 h VAL 87 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2k22 h VAL 87 Cb 1.26 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 2k22 h VAL 87 CO 0.56 0.00 -0.22 0.00 -1.23 0.00 0.00 177.57 176.68 2k22 h ALA 88 N 1.66 0.00 -2.06 5.19 0.00 -1.93 -3.47 119.26 118.64 2k22 h ALA 88 Ca 0.26 -0.26 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2k22 h ALA 88 Cb 1.13 0.22 0.22 0.00 0.00 0.00 0.00 17.79 19.35 2k22 h ALA 88 CO -0.00 0.22 -0.54 0.41 0.00 0.00 0.00 179.25 179.33 2k22 n GLY 89 N 1.73 -1.91 0.94 0.00 0.00 -1.13 -5.22 105.19 99.61 2k22 n GLY 89 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2k22 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93