#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwq n GLU 2 N 0.00 0.77 -1.14 1.64 2.13 -1.26 -5.04 120.64 117.74 1qwq n GLU 2 Ca 0.00 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1qwq n GLU 2 Cb 0.00 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 29.96 1qwq n GLU 2 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1qwq n SER 3 N 0.70 1.67 0.00 4.31 2.88 -1.26 -4.49 113.62 117.43 1qwq n SER 3 Ca 0.11 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1qwq n SER 3 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1qwq n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qwq n ALA 4 N -3.00 0.00 0.01 -1.46 0.00 -1.26 -3.30 120.51 111.50 1qwq n ALA 4 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1qwq n ALA 4 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1qwq n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qwq h ALA 5 N -0.44 0.04 -0.70 0.00 0.00 -1.87 0.13 119.26 116.42 1qwq h ALA 5 Ca 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 54.91 54.02 1qwq h ALA 5 Cb 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1qwq h ALA 5 CO 0.00 0.50 0.24 0.00 0.00 0.00 0.00 179.25 179.99 1qwq h ALA 6 N -0.02 1.09 0.05 0.00 0.00 -1.81 0.14 119.26 118.72 1qwq h ALA 6 Ca -0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1qwq h ALA 6 Cb 1.57 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1qwq h ALA 6 CO 0.07 0.63 -0.02 -0.22 0.00 0.00 0.00 179.25 179.70 1qwq h LYS 7 N 1.03 -0.07 -0.33 0.00 3.11 -1.74 0.37 116.57 118.95 1qwq h LYS 7 Ca 0.23 0.00 0.07 0.00 -2.81 0.00 0.00 60.65 58.15 1qwq h LYS 7 Cb 0.26 0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.43 1qwq h LYS 7 CO -0.01 -0.03 -0.17 0.35 -2.81 0.00 0.00 179.45 176.78 1qwq h PHE 8 N -0.08 -0.43 -0.11 1.91 3.57 -0.54 -0.19 116.94 121.06 1qwq h PHE 8 Ca -0.01 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1qwq h PHE 8 Cb 0.07 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1qwq h PHE 8 CO -0.07 -0.25 -0.31 1.49 -2.23 0.00 0.00 178.31 176.94 1qwq h GLU 9 N -0.12 -0.38 -0.18 1.11 4.81 -0.13 0.17 114.58 119.85 1qwq h GLU 9 Ca 0.17 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1qwq h GLU 9 Cb 0.38 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1qwq h GLU 9 CO -0.41 -0.25 -0.10 0.00 -0.73 0.00 0.00 179.01 177.52 1qwq h ARG 10 N -0.39 -0.09 -0.02 1.92 2.47 -0.66 0.30 114.38 117.90 1qwq h ARG 10 Ca 0.09 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.72 1qwq h ARG 10 Cb 0.53 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1qwq h ARG 10 CO -0.33 -0.06 -0.43 1.96 0.56 0.00 0.00 179.97 181.67 1qwq h GLN 11 N -0.09 0.05 0.00 0.04 1.08 -0.41 -3.42 115.11 112.36 1qwq h GLN 11 Ca 0.10 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1qwq h GLN 11 Cb 0.24 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1qwq h GLN 11 CO -0.24 0.48 -0.34 1.58 -0.95 0.00 0.00 178.83 179.36 1qwq n HIS 12 N -4.02 -0.30 -1.87 2.96 -0.00 0.52 -4.94 115.22 107.58 1qwq n HIS 12 Ca -0.02 0.05 -0.42 0.00 0.46 0.00 0.00 57.72 57.80 1qwq n HIS 12 Cb 0.46 0.30 -0.00 0.00 -0.12 0.00 0.00 29.99 30.63 1qwq n HIS 12 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 1qwq n MET 13 N -2.87 3.18 -1.95 1.57 1.56 0.10 -2.14 117.12 116.58 1qwq n MET 13 Ca 0.00 -2.85 -0.42 0.00 -0.27 0.00 0.00 57.70 54.16 1qwq n MET 13 Cb 0.17 -3.13 0.00 0.00 2.15 0.00 0.00 33.22 32.41 1qwq n MET 13 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1qwq n ASP 14 N 5.15 4.55 -3.81 6.12 2.03 -0.94 -4.72 116.55 124.94 1qwq n ASP 14 Ca 0.51 -2.94 -0.41 0.00 0.52 0.00 0.00 54.79 52.47 1qwq n ASP 14 Cb 0.37 -1.58 -0.05 0.00 -0.72 0.00 0.00 41.12 39.13 1qwq n ASP 14 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1qwq n SER 15 N 5.10 2.80 -1.84 1.67 2.88 -1.23 -4.26 113.62 118.74 1qwq n SER 15 Ca 0.48 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 55.32 1qwq n SER 15 Cb 0.37 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1qwq n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qwq n GLY 16 N 4.71 0.28 3.85 0.46 0.00 -1.26 -4.93 105.19 108.30 1qwq n GLY 16 Ca 0.49 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 1qwq n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qwq s ASN 17 N -1.00 4.29 0.17 1.61 2.47 -1.26 -4.98 114.94 116.24 1qwq s ASN 17 Ca 0.00 0.93 -0.31 0.00 0.42 0.00 0.00 52.86 53.90 1qwq s ASN 17 Cb 0.00 -1.50 -0.17 0.00 -1.45 0.00 0.00 41.25 38.13 1qwq s ASN 17 CO 0.00 -2.05 0.77 -1.20 -3.72 0.00 0.00 177.10 170.89 1qwq n SER 18 N -3.44 -0.39 -4.75 -4.21 7.64 -1.26 -4.86 113.62 102.36 1qwq n SER 18 Ca 0.07 1.14 -0.41 0.00 1.01 0.00 0.00 58.87 60.68 1qwq n SER 18 Cb 0.60 -1.02 -0.02 0.00 -1.01 0.00 0.00 64.21 62.76 1qwq n SER 18 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1qwq s PRO 19 N -0.79 4.32 -0.28 1.43 0.04 -1.26 -5.02 135.00 133.45 1qwq s PRO 19 Ca 0.70 2.22 -0.24 0.00 0.04 0.00 0.00 61.00 63.72 1qwq s PRO 19 Cb -0.96 -3.12 0.10 0.00 0.04 0.00 0.00 34.50 30.56 1qwq s PRO 19 CO 0.56 -0.31 0.90 0.45 0.04 0.00 0.00 177.00 178.63 1qwq s SER 20 N 0.11 -0.59 -1.24 6.66 0.15 -1.26 -4.98 113.70 112.54 1qwq s SER 20 Ca 0.56 1.11 -0.16 0.00 0.70 0.00 0.00 55.95 58.16 1qwq s SER 20 Cb -0.40 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1qwq s SER 20 CO 0.45 -0.19 0.65 -0.24 1.20 0.00 0.00 173.24 175.11 1qwq n SER 21 N 2.63 -3.52 -0.27 5.45 2.88 -1.26 -4.53 113.62 115.01 1qwq n SER 21 Ca -0.14 -1.05 0.05 0.00 -1.33 0.00 0.00 58.87 56.40 1qwq n SER 21 Cb 0.56 -3.04 0.19 0.00 -0.75 0.00 0.00 64.21 61.17 1qwq n SER 21 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1qwq h SER 22 N -1.98 0.39 -0.06 -3.46 4.64 -1.93 0.15 113.55 111.30 1qwq h SER 22 Ca -0.66 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 60.76 1qwq h SER 22 Cb 1.37 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.48 1qwq h SER 22 CO 0.53 0.17 -0.19 0.77 -0.87 0.00 0.00 176.83 177.24 1qwq h SER 23 N 0.52 -0.61 -0.63 4.97 4.64 -1.86 -1.50 113.55 119.08 1qwq h SER 23 Ca 0.42 0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.89 1qwq h SER 23 Cb 0.59 0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 62.86 1qwq h SER 23 CO -0.37 -0.17 0.29 -1.13 -0.87 0.00 0.00 176.83 174.59 1qwq h ASN 24 N -0.20 0.37 -0.56 4.97 -0.73 -1.59 0.17 115.58 118.01 1qwq h ASN 24 Ca 0.01 0.06 0.11 0.00 1.87 0.00 0.00 56.30 58.35 1qwq h ASN 24 Cb 0.24 -0.00 -0.11 0.00 0.27 0.00 0.00 38.32 38.71 1qwq h ASN 24 CO -0.16 0.23 -0.24 0.22 -0.37 0.00 0.00 177.43 177.11 1qwq h TYR 25 N 0.52 -0.62 0.20 0.67 5.03 -0.60 0.17 116.97 122.34 1qwq h TYR 25 Ca 0.30 0.06 -0.27 0.00 2.58 0.00 0.00 58.73 61.40 1qwq h TYR 25 Cb 0.30 0.36 0.03 0.00 1.55 0.00 0.00 36.73 38.97 1qwq h TYR 25 CO -0.12 -0.33 -1.18 0.00 -1.32 0.00 0.00 178.16 175.21 1qwq h ASN 27 N -0.08 -1.09 0.10 0.00 2.35 -0.89 -0.80 115.58 115.17 1qwq h ASN 27 Ca -0.20 0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1qwq h ASN 27 Cb 1.93 0.52 -0.05 0.00 0.05 0.00 0.00 38.32 40.77 1qwq h ASN 27 CO 0.22 -0.31 -0.40 0.25 -1.65 0.00 0.00 177.43 175.54 1qwq h LEU 28 N -0.23 -1.18 -0.04 1.61 5.85 -0.61 0.17 115.31 120.87 1qwq h LEU 28 Ca 0.18 0.13 0.02 0.00 0.84 0.00 0.00 57.88 59.06 1qwq h LEU 28 Cb 0.54 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1qwq h LEU 28 CO -0.56 -0.47 -0.50 0.24 -0.34 0.00 0.00 178.44 176.81 1qwq h MET 29 N -0.62 -0.57 -0.04 1.25 2.86 -0.58 0.13 114.93 117.36 1qwq h MET 29 Ca 0.03 0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 1qwq h MET 29 Cb 0.66 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1qwq h MET 29 CO -0.25 -0.38 -0.61 0.00 1.06 0.00 0.00 176.91 176.73 1qwq h MET 30 N -0.60 0.14 -0.13 1.72 -0.00 -1.07 0.59 114.93 115.57 1qwq h MET 30 Ca 0.02 -0.09 0.01 0.00 -0.00 0.00 0.00 59.70 59.63 1qwq h MET 30 Cb 0.66 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.26 1qwq h MET 30 CO -0.36 0.70 0.06 0.00 -0.00 0.00 0.00 176.91 177.31 1qwq h ARG 33 N 1.02 0.83 -0.21 0.00 9.65 -0.54 -3.47 114.38 121.66 1qwq h ARG 33 Ca 0.29 -0.15 -0.09 0.00 -1.10 0.00 0.00 59.98 58.93 1qwq h ARG 33 Cb -0.09 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.32 1qwq h ARG 33 CO -0.07 0.72 -0.08 1.63 2.80 0.00 0.00 179.97 184.96 1qwq n LYS 34 N -4.30 -0.46 0.00 0.20 5.02 0.76 -4.90 118.16 114.47 1qwq n LYS 34 Ca 0.04 0.56 0.05 0.00 -2.02 0.00 0.00 58.31 56.93 1qwq n LYS 34 Cb 0.20 -4.22 0.22 0.00 -0.02 0.00 0.00 35.03 31.20 1qwq n LYS 34 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1qwq n MET 35 N -2.56 0.06 0.00 1.97 2.81 -1.24 -1.07 117.12 117.10 1qwq n MET 35 Ca -0.04 0.27 0.11 0.00 -1.81 0.00 0.00 57.70 56.23 1qwq n MET 35 Cb 0.18 -1.50 0.52 0.00 -0.71 0.00 0.00 33.22 31.71 1qwq n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1qwq n THR 36 N -1.40 0.40 -1.68 2.03 -2.24 -1.26 -4.29 114.28 105.83 1qwq n THR 36 Ca 0.03 0.10 -0.48 0.00 -2.27 0.00 0.00 64.05 61.43 1qwq n THR 36 Cb 0.09 -0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 67.55 1qwq n THR 36 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1qwq n GLN 37 N -1.39 2.20 0.00 -0.78 7.27 -0.23 -3.34 117.38 121.10 1qwq n GLN 37 Ca 0.08 0.81 0.00 0.00 0.07 0.00 0.00 57.00 57.96 1qwq n GLN 37 Cb 0.22 -2.66 0.00 0.00 2.41 0.00 0.00 30.24 30.21 1qwq n GLN 37 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1qwq n GLY 38 N 4.42 1.55 3.07 1.69 0.00 -1.26 -4.78 105.19 109.89 1qwq n GLY 38 Ca 0.23 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1qwq n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qwq s LYS 39 N 0.00 0.93 -0.23 1.61 0.00 -1.21 -5.13 119.74 115.70 1qwq s LYS 39 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 55.97 55.35 1qwq s LYS 39 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 37.83 36.90 1qwq s LYS 39 CO 0.00 0.24 0.47 0.00 0.00 0.00 0.00 175.35 176.07 1qwq n LYS 41 N 5.08 1.64 -0.06 0.00 4.76 -1.26 -4.89 118.16 123.42 1qwq n LYS 41 Ca -0.06 0.59 -0.12 0.00 -2.87 0.00 0.00 58.31 55.85 1qwq n LYS 41 Cb 0.50 -2.28 -0.06 0.00 -1.84 0.00 0.00 35.03 31.36 1qwq n LYS 41 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1qwq h PRO 42 N 5.05 0.37 -4.08 1.97 0.13 -1.96 -3.43 132.00 130.05 1qwq h PRO 42 Ca -0.46 -0.15 -0.23 0.00 -0.87 0.00 0.00 66.00 64.30 1qwq h PRO 42 Cb 1.30 -0.02 -0.24 0.00 0.13 0.00 0.00 31.00 32.17 1qwq h PRO 42 CO 0.82 0.64 -0.72 0.08 -0.23 0.00 0.00 178.00 178.59 1qwq s VAL 43 N -4.71 0.21 -0.03 1.56 1.01 -1.26 -1.37 120.40 115.81 1qwq s VAL 43 Ca -0.14 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1qwq s VAL 43 Cb 0.06 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.20 1qwq s VAL 43 CO 0.74 -0.26 0.05 0.21 0.00 0.00 0.00 175.10 175.85 1qwq s ASN 44 N -0.91 0.58 -0.99 3.32 2.47 -0.31 -5.00 114.94 114.11 1qwq s ASN 44 Ca -0.08 0.07 -0.01 0.00 0.42 0.00 0.00 52.86 53.27 1qwq s ASN 44 Cb -0.06 -0.08 0.32 0.00 -1.45 0.00 0.00 41.25 39.97 1qwq s ASN 44 CO -0.00 -0.19 1.65 0.41 -3.72 0.00 0.00 177.10 175.25 1qwq n THR 45 N 4.74 5.60 -1.63 -5.21 -1.04 -1.26 -0.95 114.28 114.53 1qwq n THR 45 Ca -0.16 -5.92 -0.44 0.00 -2.04 0.00 0.00 64.05 55.49 1qwq n THR 45 Cb 0.50 -1.66 -0.03 0.00 -1.82 0.00 0.00 70.33 67.32 1qwq n THR 45 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1qwq n PHE 46 N 0.22 2.22 -2.14 -1.42 3.01 -0.37 -4.43 117.46 114.55 1qwq n PHE 46 Ca 0.41 -0.21 -0.40 0.00 1.01 0.00 0.00 57.45 58.26 1qwq n PHE 46 Cb 0.29 -2.75 -0.03 0.00 -0.01 0.00 0.00 39.48 36.99 1qwq n PHE 46 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1qwq s VAL 47 N 6.24 3.52 -1.26 -4.37 1.01 -0.91 -0.51 120.40 124.12 1qwq s VAL 47 Ca 0.96 0.41 -0.05 0.00 0.00 0.00 0.00 61.98 63.30 1qwq s VAL 47 Cb -0.44 -4.03 0.12 0.00 0.00 0.00 0.00 36.38 32.03 1qwq s VAL 47 CO 0.40 -0.88 2.40 1.41 0.00 0.00 0.00 175.10 178.44 1qwq n HIS 48 N 11.19 2.54 -3.70 5.22 8.25 -0.03 -2.20 115.22 136.48 1qwq n HIS 48 Ca 0.18 -2.76 -0.11 0.00 -0.26 0.00 0.00 57.72 54.77 1qwq n HIS 48 Cb 0.50 -1.80 -0.06 0.00 1.12 0.00 0.00 29.99 29.75 1qwq n HIS 48 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1qwq s GLU 49 N -1.24 0.93 0.07 -0.41 2.12 -1.26 -4.70 118.70 114.21 1qwq s GLU 49 Ca 0.54 -0.60 -0.37 0.00 0.36 0.00 0.00 54.97 54.91 1qwq s GLU 49 Cb 0.20 0.41 -0.17 0.00 0.26 0.00 0.00 34.13 34.83 1qwq s GLU 49 CO -0.10 -0.33 1.36 0.43 -0.54 0.00 0.00 175.26 176.08 1qwq n SER 50 N 0.20 1.72 -0.29 -1.70 7.64 -1.26 -4.54 113.62 115.39 1qwq n SER 50 Ca -0.17 1.12 0.13 0.00 1.01 0.00 0.00 58.87 60.95 1qwq n SER 50 Cb 0.61 -1.20 0.37 0.00 -1.01 0.00 0.00 64.21 62.99 1qwq n SER 50 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1qwq h LEU 51 N 4.71 0.68 -0.70 -3.43 8.10 -1.97 0.14 115.31 122.84 1qwq h LEU 51 Ca -0.48 0.05 0.07 0.00 0.11 0.00 0.00 57.88 57.64 1qwq h LEU 51 Cb 1.33 -0.08 -0.06 0.00 -0.44 0.00 0.00 40.66 41.41 1qwq h LEU 51 CO 0.79 0.32 0.38 0.00 -4.11 0.00 0.00 178.44 175.82 1qwq h ALA 52 N 1.60 0.95 0.08 0.17 0.00 -1.99 0.20 119.26 120.28 1qwq h ALA 52 Ca 0.48 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.43 1qwq h ALA 52 Cb 0.79 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qwq h ALA 52 CO -0.24 0.04 -0.11 0.22 0.00 0.00 0.00 179.25 179.16 1qwq h ASP 53 N 0.68 -0.30 -0.79 0.00 1.82 -1.09 0.06 116.42 116.81 1qwq h ASP 53 Ca 0.32 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.98 1qwq h ASP 53 Cb 0.25 0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.34 1qwq h ASP 53 CO -0.21 -0.17 0.40 0.58 -1.61 0.00 0.00 179.24 178.23 1qwq h VAL 54 N -0.23 1.24 -0.20 2.25 2.07 -0.89 0.18 116.25 120.67 1qwq h VAL 54 Ca 0.02 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1qwq h VAL 54 Cb 0.24 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1qwq h VAL 54 CO -0.06 0.29 0.04 0.11 0.02 0.00 0.00 177.57 177.97 1qwq h LYS 55 N 1.13 0.33 -0.04 1.57 1.79 -0.41 0.23 116.57 121.18 1qwq h LYS 55 Ca 0.28 -0.08 0.04 0.00 -2.18 0.00 0.00 60.65 58.70 1qwq h LYS 55 Cb 0.08 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.64 1qwq h LYS 55 CO -0.04 0.47 -0.30 0.00 -1.08 0.00 0.00 179.45 178.50 1qwq h ALA 56 N 0.85 -0.41 -0.78 3.86 0.00 -0.47 -1.63 119.26 120.69 1qwq h ALA 56 Ca 0.06 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1qwq h ALA 56 Cb 0.29 0.55 -0.14 0.00 0.00 0.00 0.00 17.79 18.50 1qwq h ALA 56 CO 0.00 -0.80 0.02 0.28 0.00 0.00 0.00 179.25 178.75 1qwq h VAL 57 N -0.43 0.32 0.00 0.00 2.07 -0.85 0.14 116.25 117.50 1qwq h VAL 57 Ca 0.07 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1qwq h VAL 57 Cb 0.54 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1qwq h VAL 57 CO -0.28 0.02 0.18 0.00 0.02 0.00 0.00 177.57 177.51 1qwq n SER 59 N -2.93 2.76 0.00 0.00 2.88 0.42 -4.82 113.62 111.93 1qwq n SER 59 Ca -0.02 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 54.07 1qwq n SER 59 Cb 0.24 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1qwq n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qwq n GLN 60 N -0.73 0.00 -3.53 -1.46 6.02 0.22 -5.00 117.38 112.90 1qwq n GLN 60 Ca 0.25 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.83 1qwq n GLN 60 Cb 0.85 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 32.03 1qwq n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1qwq s LYS 61 N 1.48 2.68 0.39 -1.09 2.47 -1.22 -5.00 119.74 119.46 1qwq s LYS 61 Ca 0.00 -1.54 -0.27 0.00 -1.56 0.00 0.00 55.97 52.60 1qwq s LYS 61 Cb 0.00 -3.93 -0.11 0.00 -1.46 0.00 0.00 37.83 32.34 1qwq s LYS 61 CO 0.00 -1.06 1.42 1.17 0.16 0.00 0.00 175.35 177.04 1qwq n LYS 62 N 5.00 2.43 -4.14 4.03 4.81 -1.26 -0.71 118.16 128.32 1qwq n LYS 62 Ca -0.10 0.85 -0.15 0.00 -0.87 0.00 0.00 58.31 58.04 1qwq n LYS 62 Cb 0.42 -2.58 -0.11 0.00 0.02 0.00 0.00 35.03 32.78 1qwq n LYS 62 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1qwq s VAL 63 N -1.14 0.87 -0.52 3.15 -7.23 0.44 -4.84 120.40 111.13 1qwq s VAL 63 Ca 0.56 -1.36 -0.28 0.00 -1.81 0.00 0.00 61.98 59.09 1qwq s VAL 63 Cb -0.49 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.41 1qwq s VAL 63 CO 0.62 -0.40 1.55 -0.89 -0.31 0.00 0.00 175.10 175.67 1qwq s THR 64 N -1.75 3.67 1.00 5.32 2.01 -1.26 -3.91 115.64 120.72 1qwq s THR 64 Ca -0.02 0.58 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 1qwq s THR 64 Cb -0.07 -4.20 0.19 0.00 0.01 0.00 0.00 72.50 68.42 1qwq s THR 64 CO 0.01 -0.97 1.09 0.00 -0.69 0.00 0.00 174.62 174.07 1qwq n LYS 66 N -4.41 1.70 0.00 0.00 4.76 -1.26 -2.50 118.16 116.45 1qwq n LYS 66 Ca 0.08 -0.92 0.00 0.00 -2.87 0.00 0.00 58.31 54.60 1qwq n LYS 66 Cb 0.53 -2.00 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 1qwq n LYS 66 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1qwq n ASP 67 N 2.88 0.00 -2.85 4.39 8.00 -1.26 -5.05 116.55 122.66 1qwq n ASP 67 Ca 0.36 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.68 1qwq n ASP 67 Cb 0.58 0.12 0.06 0.00 -0.02 0.00 0.00 41.12 41.86 1qwq n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qwq n GLY 68 N -0.14 -0.19 2.16 0.44 0.00 -1.04 -4.82 105.19 101.60 1qwq n GLY 68 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1qwq n GLY 68 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1qwq n GLN 69 N -3.93 0.00 -1.71 1.61 7.27 -1.26 -5.09 117.38 114.27 1qwq n GLN 69 Ca 0.01 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.66 1qwq n GLN 69 Cb 0.55 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.19 1qwq n GLN 69 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1qwq n THR 70 N -3.40 2.13 -3.71 1.69 -2.24 -1.26 -4.97 114.28 102.52 1qwq n THR 70 Ca 0.00 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.90 1qwq n THR 70 Cb 0.00 -1.62 -0.11 0.00 -2.10 0.00 0.00 70.33 66.51 1qwq n THR 70 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1qwq s ASN 71 N -0.34 5.39 0.13 3.42 0.02 -1.26 -4.35 114.94 117.95 1qwq s ASN 71 Ca 0.56 -1.81 0.08 0.00 -1.02 0.00 0.00 52.86 50.68 1qwq s ASN 71 Cb -0.54 -1.89 -0.04 0.00 0.02 0.00 0.00 41.25 38.80 1qwq s ASN 71 CO 0.61 -0.54 -0.14 0.00 0.02 0.00 0.00 177.10 177.05 1qwq s TYR 73 N -1.28 1.43 0.40 0.00 1.51 0.68 -0.42 117.35 119.68 1qwq s TYR 73 Ca 0.20 -0.55 -0.24 0.00 -1.01 0.00 0.00 57.07 55.48 1qwq s TYR 73 Cb -0.10 -1.07 -0.09 0.00 -0.11 0.00 0.00 41.96 40.59 1qwq s TYR 73 CO 0.12 -0.30 1.04 -1.14 -1.11 0.00 0.00 175.55 174.16 1qwq s GLN 74 N 0.80 4.17 -0.18 -0.62 0.74 0.12 -0.86 119.66 123.83 1qwq s GLN 74 Ca -0.12 1.48 -0.29 0.00 0.05 0.00 0.00 55.36 56.47 1qwq s GLN 74 Cb -0.15 -2.52 -0.00 0.00 1.10 0.00 0.00 33.01 31.44 1qwq s GLN 74 CO 0.02 -0.13 1.08 -1.54 -0.55 0.00 0.00 175.29 174.17 1qwq s SER 75 N -1.62 7.11 0.22 6.67 1.04 0.28 -3.37 113.70 124.04 1qwq s SER 75 Ca 0.58 1.50 -0.08 0.00 0.48 0.00 0.00 55.95 58.42 1qwq s SER 75 Cb -0.21 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.55 1qwq s SER 75 CO 0.26 -0.62 1.85 0.50 0.98 0.00 0.00 173.24 176.21 1qwq h LYS 76 N 7.47 1.17 -7.34 4.02 1.63 -1.93 -3.43 116.57 118.17 1qwq h LYS 76 Ca -0.24 -0.13 -0.51 0.00 -0.85 0.00 0.00 60.65 58.92 1qwq h LYS 76 Cb 1.10 -0.23 0.09 0.00 -0.60 0.00 0.00 32.23 32.58 1qwq h LYS 76 CO 0.94 0.85 0.38 -1.54 -3.45 0.00 0.00 179.45 176.63 1qwq s SER 77 N -6.14 5.58 0.30 4.20 1.04 -1.26 -5.03 113.70 112.40 1qwq s SER 77 Ca -0.13 1.57 0.01 0.00 0.48 0.00 0.00 55.95 57.89 1qwq s SER 77 Cb 0.16 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.76 1qwq s SER 77 CO 0.82 -1.31 0.48 0.42 0.98 0.00 0.00 173.24 174.63 1qwq s THR 78 N -3.08 5.15 0.03 2.02 -4.23 -1.26 -4.49 115.64 109.79 1qwq s THR 78 Ca 0.57 -0.58 -0.25 0.00 -1.18 0.00 0.00 61.69 60.25 1qwq s THR 78 Cb -0.13 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 69.92 1qwq s THR 78 CO 0.55 -0.45 0.59 0.00 -0.54 0.00 0.00 174.62 174.76 1qwq s MET 79 N -4.10 1.08 -0.53 3.99 0.23 0.13 -4.83 119.30 115.28 1qwq s MET 79 Ca 0.38 -0.11 -0.27 0.00 -1.03 0.00 0.00 55.69 54.66 1qwq s MET 79 Cb -0.10 0.50 -0.01 0.00 -1.53 0.00 0.00 34.83 33.70 1qwq s MET 79 CO 0.33 -0.39 1.71 -0.98 -2.03 0.00 0.00 175.02 173.66 1qwq s ARG 80 N -2.23 3.00 -0.07 3.16 1.70 -1.26 -2.65 118.95 120.60 1qwq s ARG 80 Ca -0.06 0.77 -0.12 0.00 -0.47 0.00 0.00 55.73 55.84 1qwq s ARG 80 Cb -0.01 -4.26 -0.05 0.00 -0.57 0.00 0.00 34.95 30.06 1qwq s ARG 80 CO 0.00 -2.28 0.30 0.96 -1.08 0.00 0.00 175.30 173.20 1qwq s ILE 81 N 7.65 5.24 -0.71 4.99 -4.36 0.31 -0.85 121.20 133.47 1qwq s ILE 81 Ca 0.66 0.58 -0.05 0.00 -0.26 0.00 0.00 60.65 61.57 1qwq s ILE 81 Cb -0.14 -3.59 0.18 0.00 1.25 0.00 0.00 42.46 40.16 1qwq s ILE 81 CO 0.25 0.56 0.56 -0.89 0.24 0.00 0.00 174.94 175.66 1qwq s THR 82 N -0.82 4.23 -0.86 8.37 2.01 0.34 -0.57 115.64 128.33 1qwq s THR 82 Ca 0.20 -2.96 -0.25 0.00 0.31 0.00 0.00 61.69 58.99 1qwq s THR 82 Cb -0.14 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1qwq s THR 82 CO 0.09 -0.94 1.73 -0.62 -0.69 0.00 0.00 174.62 174.18 1qwq s ASP 83 N 0.91 5.64 -0.31 3.53 -1.08 0.81 -1.23 116.67 124.93 1qwq s ASP 83 Ca 0.18 -0.66 -0.24 0.00 -0.52 0.00 0.00 52.55 51.31 1qwq s ASP 83 Cb -0.17 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 1qwq s ASP 83 CO -0.05 -2.25 0.82 0.00 0.52 0.00 0.00 175.17 174.20 1qwq s ARG 85 N 3.02 2.60 -1.01 0.00 3.52 -0.33 -1.16 118.95 125.59 1qwq s ARG 85 Ca 0.34 -0.76 -0.25 0.00 -0.13 0.00 0.00 55.73 54.92 1qwq s ARG 85 Cb -0.14 -2.04 -0.15 0.00 -1.56 0.00 0.00 34.95 31.07 1qwq s ARG 85 CO 0.13 0.18 2.12 -1.83 -0.81 0.00 0.00 175.30 175.09 1qwq s GLU 86 N 0.31 1.79 0.00 5.12 -1.05 -0.47 -0.07 118.70 124.34 1qwq s GLU 86 Ca -0.15 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.31 1qwq s GLU 86 Cb -0.16 -5.01 0.00 0.00 -0.44 0.00 0.00 34.13 28.52 1qwq s GLU 86 CO 0.07 -4.59 0.00 2.41 0.95 0.00 0.00 175.26 174.10 1qwq n THR 87 N 8.52 0.00 -1.20 1.83 -1.04 -1.02 -4.67 114.28 116.70 1qwq n THR 87 Ca 0.43 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 62.07 1qwq n THR 87 Cb 0.46 0.45 -0.04 0.00 -1.82 0.00 0.00 70.33 69.38 1qwq n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qwq n GLY 88 N 0.22 3.99 3.42 3.41 0.00 0.29 -4.18 105.19 112.33 1qwq n GLY 88 Ca 0.00 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 1qwq n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qwq n SER 89 N 3.57 -6.01 -4.61 1.61 7.64 -1.26 -4.57 113.62 109.99 1qwq n SER 89 Ca 0.71 -0.49 -0.46 0.00 1.01 0.00 0.00 58.87 59.63 1qwq n SER 89 Cb 0.27 -4.65 -0.04 0.00 -1.01 0.00 0.00 64.21 58.77 1qwq n SER 89 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1qwq n SER 90 N -2.64 3.25 -3.30 6.43 3.41 -1.25 -4.71 113.62 114.81 1qwq n SER 90 Ca 0.01 0.62 -0.12 0.00 -0.26 0.00 0.00 58.87 59.12 1qwq n SER 90 Cb 0.56 -1.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.02 1qwq n SER 90 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qwq s LYS 91 N 5.25 0.72 -0.17 4.33 2.47 0.17 -4.93 119.74 127.57 1qwq s LYS 91 Ca 0.98 -0.77 -0.31 0.00 -1.56 0.00 0.00 55.97 54.32 1qwq s LYS 91 Cb -0.58 -0.51 -0.14 0.00 -1.46 0.00 0.00 37.83 35.14 1qwq s LYS 91 CO 0.45 -1.21 0.94 0.98 0.16 0.00 0.00 175.35 176.67 1qwq n TYR 92 N 4.18 0.84 1.42 4.03 4.19 -1.26 0.15 117.16 130.70 1qwq n TYR 92 Ca 0.12 0.78 0.14 0.00 3.31 0.00 0.00 57.90 62.25 1qwq n TYR 92 Cb 0.49 -1.52 0.75 0.00 0.49 0.00 0.00 39.34 39.54 1qwq n TYR 92 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1qwq n PRO 93 N 1.93 0.45 -1.19 2.98 -0.04 -1.26 -4.95 135.00 132.93 1qwq n PRO 93 Ca 0.18 0.01 -0.34 0.00 -0.04 0.00 0.00 63.50 63.31 1qwq n PRO 93 Cb 0.01 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 1qwq n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qwq n ASN 94 N -1.26 7.87 -4.65 3.54 3.02 0.12 -4.90 115.26 119.00 1qwq n ASN 94 Ca 0.14 -2.52 -0.43 0.00 -0.03 0.00 0.00 54.58 51.75 1qwq n ASN 94 Cb 0.22 -1.46 -0.02 0.00 -0.61 0.00 0.00 39.78 37.91 1qwq n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qwq s ALA 96 N 3.60 0.44 -0.04 0.00 0.00 -1.26 -4.96 121.76 119.54 1qwq s ALA 96 Ca 0.52 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 1qwq s ALA 96 Cb -0.19 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1qwq s ALA 96 CO 0.14 -0.34 0.11 0.71 0.00 0.00 0.00 175.76 176.39 1qwq s TYR 97 N 1.71 3.41 -0.47 0.00 1.51 -1.26 -0.54 117.35 121.70 1qwq s TYR 97 Ca 0.00 0.32 -0.23 0.00 -1.01 0.00 0.00 57.07 56.15 1qwq s TYR 97 Cb -0.13 -1.82 0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1qwq s TYR 97 CO -0.03 0.61 0.82 0.21 -1.11 0.00 0.00 175.55 176.05 1qwq s LYS 98 N -1.50 3.39 -1.10 -0.62 2.36 0.91 -4.47 119.74 118.72 1qwq s LYS 98 Ca 0.21 -0.13 -0.18 0.00 -2.55 0.00 0.00 55.97 53.31 1qwq s LYS 98 Cb -0.12 -3.97 0.12 0.00 -1.05 0.00 0.00 37.83 32.81 1qwq s LYS 98 CO 0.11 -1.20 1.38 0.99 1.55 0.00 0.00 175.35 178.18 1qwq s THR 99 N 3.44 4.58 -0.64 3.43 2.01 -1.26 -1.19 115.64 126.02 1qwq s THR 99 Ca 0.30 -1.83 -0.26 0.00 0.31 0.00 0.00 61.69 60.22 1qwq s THR 99 Cb -0.12 -4.94 0.04 0.00 0.01 0.00 0.00 72.50 67.49 1qwq s THR 99 CO 0.22 -1.71 1.11 -0.89 -0.69 0.00 0.00 174.62 172.66 1qwq s THR 100 N 2.99 4.09 0.03 -0.82 2.01 0.27 -4.79 115.64 119.42 1qwq s THR 100 Ca 0.42 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 1qwq s THR 100 Cb -0.02 -4.73 -0.04 0.00 0.01 0.00 0.00 72.50 67.72 1qwq s THR 100 CO -0.04 -1.46 1.02 0.00 -0.69 0.00 0.00 174.62 173.46 1qwq s GLN 101 N 4.75 4.55 -0.04 4.92 1.03 -1.26 -0.14 119.66 133.48 1qwq s GLN 101 Ca 0.33 1.50 -0.14 0.00 0.04 0.00 0.00 55.36 57.09 1qwq s GLN 101 Cb -0.11 -3.42 0.02 0.00 0.03 0.00 0.00 33.01 29.54 1qwq s GLN 101 CO 0.18 -0.05 0.31 0.54 -2.54 0.00 0.00 175.29 173.73 1qwq s VAL 102 N 0.85 0.05 -0.42 3.63 0.11 0.26 -4.98 120.40 119.90 1qwq s VAL 102 Ca 0.53 -0.38 -0.04 0.00 -2.93 0.00 0.00 61.98 59.15 1qwq s VAL 102 Cb -0.23 -0.59 0.11 0.00 -1.53 0.00 0.00 36.38 34.15 1qwq s VAL 102 CO 0.29 -0.21 0.24 -1.61 -3.33 0.00 0.00 175.10 170.47 1qwq s GLU 103 N -1.04 2.12 0.30 1.54 2.02 -1.26 -0.53 118.70 121.85 1qwq s GLU 103 Ca -0.11 -1.81 -0.04 0.00 0.02 0.00 0.00 54.97 53.03 1qwq s GLU 103 Cb -0.05 -3.67 0.02 0.00 0.10 0.00 0.00 34.13 30.53 1qwq s GLU 103 CO 0.03 -1.10 0.47 1.63 0.02 0.00 0.00 175.26 176.31 1qwq n LYS 104 N 4.67 0.67 -2.64 1.61 4.76 -1.09 -4.70 118.16 121.45 1qwq n LYS 104 Ca -0.04 -2.20 -0.37 0.00 -2.87 0.00 0.00 58.31 52.83 1qwq n LYS 104 Cb 0.41 2.25 -0.05 0.00 -1.84 0.00 0.00 35.03 35.80 1qwq n LYS 104 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1qwq s HIS 105 N -3.31 3.52 0.16 2.13 3.76 -0.43 -0.70 115.29 120.43 1qwq s HIS 105 Ca 0.21 1.72 0.05 0.00 -0.15 0.00 0.00 55.06 56.90 1qwq s HIS 105 Cb -0.02 -3.06 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 1qwq s HIS 105 CO 0.15 -0.22 0.11 0.96 -0.85 0.00 0.00 174.74 174.89 1qwq s ILE 106 N -1.56 4.34 -0.34 0.60 -4.36 -1.26 -0.47 121.20 118.15 1qwq s ILE 106 Ca 0.52 -1.14 0.04 0.00 -0.26 0.00 0.00 60.65 59.81 1qwq s ILE 106 Cb -0.22 -3.21 0.10 0.00 1.25 0.00 0.00 42.46 40.38 1qwq s ILE 106 CO 0.28 -0.10 0.05 -0.63 0.24 0.00 0.00 174.94 174.78 1qwq s ILE 107 N -1.74 2.33 -0.11 8.37 -1.09 0.67 -0.55 121.20 129.08 1qwq s ILE 107 Ca 0.30 -2.31 -0.12 0.00 -2.23 0.00 0.00 60.65 56.29 1qwq s ILE 107 Cb -0.10 -2.71 -0.05 0.00 -1.58 0.00 0.00 42.46 38.02 1qwq s ILE 107 CO 0.22 -0.59 0.27 0.68 -1.23 0.00 0.00 174.94 174.30 1qwq s VAL 108 N 0.92 5.30 -0.38 2.92 -7.23 -0.04 -0.78 120.40 121.10 1qwq s VAL 108 Ca 0.10 0.50 -0.24 0.00 -1.81 0.00 0.00 61.98 60.53 1qwq s VAL 108 Cb -0.19 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.19 1qwq s VAL 108 CO -0.08 0.51 0.83 0.00 -0.31 0.00 0.00 175.10 176.06 1qwq s ALA 109 N -0.41 3.39 0.21 1.32 0.00 0.69 -0.23 121.76 126.74 1qwq s ALA 109 Ca 0.17 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 1qwq s ALA 109 Cb -0.14 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 1qwq s ALA 109 CO 0.06 -1.60 0.53 0.00 0.00 0.00 0.00 175.76 174.75 1qwq n GLY 111 N 0.01 1.00 0.27 0.00 0.00 0.00 -4.21 105.19 102.25 1qwq n GLY 111 Ca -0.01 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 45.03 1qwq n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwq n GLY 112 N -0.31 -1.66 2.87 -0.02 0.00 -1.26 -0.64 105.19 104.17 1qwq n GLY 112 Ca -0.01 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 1qwq n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qwq s LYS 113 N -1.62 1.31 1.06 1.61 -0.14 -1.26 -3.52 119.74 117.18 1qwq s LYS 113 Ca 0.00 -0.53 -0.12 0.00 -1.36 0.00 0.00 55.97 53.96 1qwq s LYS 113 Cb 0.00 -2.04 0.22 0.00 -1.68 0.00 0.00 37.83 34.33 1qwq s LYS 113 CO 0.00 -0.47 1.07 -1.25 -0.76 0.00 0.00 175.35 173.94 1qwq s PRO 114 N 1.65 -0.04 -0.46 -1.68 0.04 -1.26 -5.04 135.00 128.22 1qwq s PRO 114 Ca -0.00 0.68 -0.27 0.00 0.04 0.00 0.00 61.00 61.45 1qwq s PRO 114 Cb -0.16 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1qwq s PRO 114 CO -0.07 -3.09 1.95 -1.54 0.04 0.00 0.00 177.00 174.28 1qwq s SER 115 N -3.08 5.39 0.24 6.66 1.04 -1.23 -4.88 113.70 117.85 1qwq s SER 115 Ca 0.66 0.94 0.11 0.00 0.48 0.00 0.00 55.95 58.14 1qwq s SER 115 Cb -0.21 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.34 1qwq s SER 115 CO 0.60 -2.17 -0.18 0.68 0.98 0.00 0.00 173.24 173.15 1qwq s VAL 116 N 8.67 2.62 -0.12 5.02 -7.23 0.19 -4.86 120.40 124.68 1qwq s VAL 116 Ca 0.79 -2.17 -0.29 0.00 -1.81 0.00 0.00 61.98 58.50 1qwq s VAL 116 Cb -0.18 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1qwq s VAL 116 CO 0.28 -0.28 1.33 -2.16 -0.31 0.00 0.00 175.10 173.96 1qwq s PRO 117 N -3.21 4.24 0.00 4.82 0.04 -1.26 -0.82 135.00 138.82 1qwq s PRO 117 Ca 0.27 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1qwq s PRO 117 Cb -0.06 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1qwq s PRO 117 CO 0.14 -0.69 0.00 1.55 0.04 0.00 0.00 177.00 178.04 1qwq n VAL 118 N 5.23 0.00 -3.96 -0.36 3.14 -0.32 -4.31 118.33 117.75 1qwq n VAL 118 Ca 0.14 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.43 1qwq n VAL 118 Cb 0.45 -0.04 -0.08 0.00 -1.06 0.00 0.00 33.84 33.11 1qwq n VAL 118 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1qwq s HIS 119 N -1.97 0.38 -0.44 1.45 3.76 -0.87 -4.69 115.29 112.92 1qwq s HIS 119 Ca 0.00 -0.80 -0.17 0.00 -0.15 0.00 0.00 55.06 53.95 1qwq s HIS 119 Cb 0.00 -0.16 0.03 0.00 1.11 0.00 0.00 32.58 33.56 1qwq s HIS 119 CO 0.00 -0.58 0.43 0.12 -0.85 0.00 0.00 174.74 173.87 1qwq s PHE 120 N -3.93 3.18 -0.02 1.40 5.36 -1.26 -0.23 117.98 122.47 1qwq s PHE 120 Ca 0.12 -0.50 -0.23 0.00 -0.96 0.00 0.00 56.93 55.36 1qwq s PHE 120 Cb 0.05 -2.96 -0.16 0.00 -0.34 0.00 0.00 43.02 39.61 1qwq s PHE 120 CO -0.06 -0.74 1.03 0.22 -1.46 0.00 0.00 175.22 174.22 1qwq h ASP 121 N 8.75 -0.26 -0.36 6.13 1.82 -1.26 -3.46 116.42 127.78 1qwq h ASP 121 Ca -0.27 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 1qwq h ASP 121 Cb 1.11 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 41.19 1qwq h ASP 121 CO 0.82 0.21 0.00 0.00 -1.61 0.00 0.00 179.24 178.66 1qwq n ALA 122 N -2.53 -0.02 -2.60 -0.78 0.00 -0.85 -5.02 120.51 108.72 1qwq n ALA 122 Ca -0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1qwq n ALA 122 Cb 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 1qwq n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qwq s SER 123 N -1.02 0.09 0.00 0.00 1.04 -1.26 -0.24 113.70 112.32 1qwq s SER 123 Ca 0.00 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1qwq s SER 123 Cb -0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1qwq s SER 123 CO 0.00 -0.86 0.00 0.55 0.98 0.00 0.00 173.24 173.91