#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k21 h ILE 2 N 0.00 0.74 0.00 1.12 2.04 -2.01 -2.80 117.51 116.59 2k21 h ILE 2 Ca 0.00 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.56 2k21 h ILE 2 Cb 0.00 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2k21 h ILE 2 CO 0.00 0.29 0.00 0.25 0.00 0.00 0.00 178.15 178.69 2k21 h LEU 3 N 0.00 0.00 -1.33 1.44 5.85 -2.03 -2.83 115.31 116.41 2k21 h LEU 3 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k21 h LEU 3 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2k21 h LEU 3 CO 0.04 0.00 0.00 -1.20 -0.34 0.00 0.00 178.44 176.94 2k21 n SER 4 N -2.48 1.92 0.25 1.25 7.64 -1.06 -4.10 113.62 117.05 2k21 n SER 4 Ca 0.04 -2.10 0.09 0.00 1.01 0.00 0.00 58.87 57.92 2k21 n SER 4 Cb 0.41 -0.30 0.66 0.00 -1.01 0.00 0.00 64.21 63.97 2k21 n SER 4 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2k21 h ASN 5 N 1.70 0.00 -0.73 6.43 -1.24 -1.61 -1.81 115.58 118.32 2k21 h ASN 5 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 2k21 h ASN 5 Cb 0.58 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.59 2k21 h ASN 5 CO 0.05 0.10 0.28 0.71 -1.29 0.00 0.00 177.43 177.28 2k21 h THR 6 N 0.00 1.25 -0.00 -3.57 1.35 -1.85 0.78 112.91 110.87 2k21 h THR 6 Ca -0.00 -0.82 -0.17 0.00 -0.55 0.00 0.00 66.41 64.87 2k21 h THR 6 Cb 0.20 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 2k21 h THR 6 CO 0.01 0.33 -0.80 0.74 -0.25 0.00 0.00 175.52 175.55 2k21 h THR 7 N 1.08 1.55 0.00 6.82 2.02 -1.66 -3.27 112.91 119.45 2k21 h THR 7 Ca 0.25 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.75 2k21 h THR 7 Cb 0.23 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2k21 h THR 7 CO -0.02 0.77 -0.39 0.00 0.37 0.00 0.00 175.52 176.25 2k21 n ALA 8 N -2.41 3.03 0.38 6.16 0.00 -0.84 -3.85 120.51 122.99 2k21 n ALA 8 Ca -0.01 -0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.32 2k21 n ALA 8 Cb 0.77 -1.23 0.46 0.00 0.00 0.00 0.00 19.45 19.45 2k21 n ALA 8 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2k21 h VAL 9 N 0.00 0.00 -0.75 0.00 3.04 0.52 -3.45 116.25 115.61 2k21 h VAL 9 Ca 0.00 -0.52 -0.51 0.00 -1.01 0.00 0.00 66.70 64.66 2k21 h VAL 9 Cb 0.58 1.44 0.08 0.00 -2.01 0.00 0.00 31.29 31.38 2k21 h VAL 9 CO 0.00 0.00 -0.36 1.07 -1.01 0.00 0.00 177.57 177.27 2k21 n THR 10 N -2.66 1.36 0.26 3.17 5.66 -1.25 -4.81 114.28 116.00 2k21 n THR 10 Ca 0.03 -0.34 0.15 0.00 -3.05 0.00 0.00 64.05 60.84 2k21 n THR 10 Cb 0.36 0.00 0.76 0.00 -1.55 0.00 0.00 70.33 69.90 2k21 n THR 10 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2k21 h PRO 11 N 0.90 0.00 0.00 1.09 0.13 -1.96 -0.56 132.00 131.60 2k21 h PRO 11 Ca -0.23 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.86 2k21 h PRO 11 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2k21 h PRO 11 CO 0.44 0.00 -0.19 0.74 -0.23 0.00 0.00 178.00 178.75 2k21 h PHE 12 N 0.00 0.00 0.00 1.56 -1.00 -1.97 -1.41 116.94 114.13 2k21 h PHE 12 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2k21 h PHE 12 Cb 0.09 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.65 2k21 h PHE 12 CO 0.00 0.19 -0.04 1.25 -1.61 0.00 0.00 178.31 178.10 2k21 h LEU 13 N 0.00 0.00 -1.60 1.54 5.85 -1.40 -2.92 115.31 116.78 2k21 h LEU 13 Ca -0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.78 2k21 h LEU 13 Cb 0.36 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2k21 h LEU 13 CO 0.03 0.04 0.37 0.00 -0.34 0.00 0.00 178.44 178.53 2k21 h THR 14 N 0.00 0.97 0.09 1.05 1.03 -1.44 0.57 112.91 115.18 2k21 h THR 14 Ca -0.00 -0.17 -0.14 0.00 -0.01 0.00 0.00 66.41 66.09 2k21 h THR 14 Cb 0.31 0.44 0.02 0.00 -1.07 0.00 0.00 68.15 67.85 2k21 h THR 14 CO 0.01 0.09 -0.60 0.11 -0.01 0.00 0.00 175.52 175.11 2k21 h LYS 15 N 0.49 0.26 -0.50 0.00 1.57 -1.72 -0.78 116.57 115.89 2k21 h LYS 15 Ca 0.24 -0.39 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 2k21 h LYS 15 Cb 0.33 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2k21 h LYS 15 CO -0.07 1.16 -0.06 1.25 -0.57 0.00 0.00 179.45 181.16 2k21 h LEU 16 N -0.44 0.92 -0.44 2.94 5.85 -1.39 -0.82 115.31 121.92 2k21 h LEU 16 Ca -0.10 -0.34 -0.17 0.00 0.84 0.00 0.00 57.88 58.11 2k21 h LEU 16 Cb 1.43 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2k21 h LEU 16 CO 0.11 1.04 -0.76 -0.25 -0.34 0.00 0.00 178.44 178.24 2k21 h TRP 17 N 0.78 0.26 -0.05 1.25 7.01 0.08 0.58 115.95 125.85 2k21 h TRP 17 Ca 0.13 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 2k21 h TRP 17 Cb 0.60 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.63 2k21 h TRP 17 CO 0.04 0.88 0.00 0.37 -2.79 0.00 0.00 178.44 176.94 2k21 h GLN 18 N 0.12 0.08 -0.02 2.65 4.15 -1.19 -2.83 115.11 118.07 2k21 h GLN 18 Ca -0.03 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 2k21 h GLN 18 Cb 1.34 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.02 2k21 h GLN 18 CO 0.11 0.34 -0.25 1.49 -1.93 0.00 0.00 178.83 178.60 2k21 h GLU 19 N -0.19 0.03 -0.11 1.69 4.57 0.38 -0.46 114.58 120.49 2k21 h GLU 19 Ca 0.01 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.99 2k21 h GLU 19 Cb 0.30 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2k21 h GLU 19 CO 0.00 0.28 -0.73 1.15 -1.18 0.00 0.00 179.01 178.52 2k21 h THR 20 N 0.03 1.34 0.16 0.32 2.02 0.14 0.35 112.91 117.27 2k21 h THR 20 Ca 0.00 -2.06 -0.32 0.00 0.77 0.00 0.00 66.41 64.80 2k21 h THR 20 Cb 0.45 2.05 0.01 0.00 -1.74 0.00 0.00 68.15 68.91 2k21 h THR 20 CO 0.03 0.63 -1.55 0.58 0.37 0.00 0.00 175.52 175.58 2k21 h VAL 21 N 0.37 1.15 0.04 3.16 2.07 -1.07 -2.93 116.25 119.04 2k21 h VAL 21 Ca -0.03 -2.73 -0.16 0.00 0.82 0.00 0.00 66.70 64.59 2k21 h VAL 21 Cb 1.32 2.82 0.01 0.00 -1.52 0.00 0.00 31.29 33.93 2k21 h VAL 21 CO 0.14 0.83 -0.64 1.56 0.02 0.00 0.00 177.57 179.48 2k21 h GLN 22 N 0.09 0.36 0.13 1.57 1.08 -1.04 -3.35 115.11 113.95 2k21 h GLN 22 Ca -0.26 -0.44 -0.33 0.00 -1.45 0.00 0.00 58.65 56.16 2k21 h GLN 22 Cb 2.06 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 29.62 2k21 h GLN 22 CO 0.19 1.14 -1.72 0.37 -0.95 0.00 0.00 178.83 177.85 2k21 h GLN 23 N -0.22 0.27 0.00 1.46 4.15 -1.16 -3.49 115.11 116.12 2k21 h GLN 23 Ca -0.09 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 58.87 2k21 h GLN 23 Cb 1.40 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.26 2k21 h GLN 23 CO 0.12 1.13 0.00 0.41 -1.93 0.00 0.00 178.83 178.56 2k21 n GLY 24 N 1.79 0.67 3.07 2.39 0.00 -1.11 -4.19 105.19 107.81 2k21 n GLY 24 Ca -0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 2k21 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k21 n GLY 25 N -2.04 -0.38 0.32 -0.02 0.00 -1.19 -4.55 105.19 97.34 2k21 n GLY 25 Ca 0.00 0.11 0.21 0.00 0.00 0.00 0.00 46.02 46.34 2k21 n GLY 25 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2k21 h ASN 26 N -1.49 0.00 0.22 1.61 -1.24 -1.94 -2.89 115.58 109.84 2k21 h ASN 26 Ca -0.51 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.15 2k21 h ASN 26 Cb 1.29 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.36 2k21 h ASN 26 CO 0.42 0.01 -1.66 -0.03 -1.29 0.00 0.00 177.43 174.88 2k21 h MET 27 N 0.00 0.46 -0.18 6.67 4.05 -1.95 -3.29 114.93 120.69 2k21 h MET 27 Ca -0.00 -0.78 -0.03 0.00 -0.28 0.00 0.00 59.70 58.61 2k21 h MET 27 Cb 0.07 0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 2k21 h MET 27 CO 0.00 1.37 -0.02 1.03 0.23 0.00 0.00 176.91 179.52 2k21 h SER 28 N 0.12 0.24 0.00 1.39 0.87 -1.90 -3.48 113.55 110.79 2k21 h SER 28 Ca -0.31 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2k21 h SER 28 Cb 2.13 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 64.03 2k21 h SER 28 CO 0.22 0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.43 2k21 n GLY 29 N -1.13 0.89 0.08 5.77 0.00 -1.15 -5.08 105.19 104.58 2k21 n GLY 29 Ca -0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 2k21 n GLY 29 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k21 n LEU 30 N 0.00 0.09 0.30 0.99 7.94 -1.18 -4.48 117.00 120.67 2k21 n LEU 30 Ca 0.00 -0.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.08 2k21 n LEU 30 Cb 0.00 0.37 0.94 0.00 0.53 0.00 0.00 43.42 45.26 2k21 n LEU 30 CO 0.00 0.42 1.08 0.00 -1.11 0.00 0.00 177.39 177.78 2k21 h ALA 31 N 0.79 1.15 0.00 1.96 0.00 -1.81 -2.43 119.26 118.92 2k21 h ALA 31 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2k21 h ALA 31 Cb 2.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2k21 h ALA 31 CO 0.02 0.04 -0.07 0.00 0.00 0.00 0.00 179.25 179.25 2k21 h ARG 32 N 0.00 0.00 -5.45 0.00 3.08 -1.95 -3.43 114.38 106.63 2k21 h ARG 32 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2k21 h ARG 32 Cb 0.19 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.13 2k21 h ARG 32 CO 0.00 0.00 -0.13 1.03 -1.07 0.00 0.00 179.97 179.80 2k21 s ARG 33 N -3.16 4.17 0.57 0.04 1.81 -0.92 -5.12 118.95 116.34 2k21 s ARG 33 Ca 0.08 0.28 -0.21 0.00 -1.72 0.00 0.00 55.73 54.17 2k21 s ARG 33 Cb 0.09 -3.56 -0.04 0.00 -0.45 0.00 0.00 34.95 30.99 2k21 s ARG 33 CO 0.64 -0.10 1.32 -1.54 -0.68 0.00 0.00 175.30 174.94 2k21 s SER 34 N 1.13 5.18 0.00 0.23 1.04 -1.26 -4.96 113.70 115.06 2k21 s SER 34 Ca 0.21 2.67 0.13 0.00 0.48 0.00 0.00 55.95 59.43 2k21 s SER 34 Cb -0.15 -2.63 0.63 0.00 0.10 0.00 0.00 66.02 63.97 2k21 s SER 34 CO 0.09 -1.62 1.34 -0.81 0.98 0.00 0.00 173.24 173.21 2k21 n PRO 35 N -1.24 0.15 -2.32 4.02 -0.04 -1.26 -4.71 135.00 129.60 2k21 n PRO 35 Ca 0.12 0.19 -0.43 0.00 -0.04 0.00 0.00 63.50 63.33 2k21 n PRO 35 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2k21 n PRO 35 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k21 s ARG 36 N -2.65 3.81 -0.28 0.54 3.00 -1.26 -4.98 118.95 117.13 2k21 s ARG 36 Ca 0.11 1.29 -0.02 0.00 0.00 0.00 0.00 55.73 57.11 2k21 s ARG 36 Cb 0.09 -3.95 0.17 0.00 0.00 0.00 0.00 34.95 31.25 2k21 s ARG 36 CO 0.20 -1.27 0.51 0.45 0.00 0.00 0.00 175.30 175.20 2k21 s SER 37 N 3.43 -0.75 0.00 0.23 0.15 -1.26 -5.16 113.70 110.34 2k21 s SER 37 Ca 0.61 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2k21 s SER 37 Cb -0.18 1.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 2k21 s SER 37 CO 0.27 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2k21 n GLY 38 N 5.41 -1.32 0.00 9.45 0.00 -1.26 -4.82 105.19 112.64 2k21 n GLY 38 Ca -0.02 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2k21 n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k21 n ASP 39 N -1.12 0.33 0.00 1.61 5.68 -1.26 -4.95 116.55 116.84 2k21 n ASP 39 Ca 0.00 -0.66 0.00 0.00 -0.50 0.00 0.00 54.79 53.63 2k21 n ASP 39 Cb 0.01 0.62 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 2k21 n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k21 n GLY 40 N 0.62 -1.36 0.13 6.12 0.00 -1.26 -5.06 105.19 104.37 2k21 n GLY 40 Ca 0.00 0.56 -0.22 0.00 0.00 0.00 0.00 46.02 46.37 2k21 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k21 h LYS 41 N 0.00 0.31 -0.00 1.61 1.57 -1.92 -3.32 116.57 114.81 2k21 h LYS 41 Ca 0.00 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2k21 h LYS 41 Cb 0.00 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2k21 h LYS 41 CO 0.00 1.25 -0.08 -0.11 -0.57 0.00 0.00 179.45 179.95 2k21 n LEU 42 N -3.90 0.49 0.05 2.94 -0.00 -1.26 -3.06 117.00 112.25 2k21 n LEU 42 Ca -0.22 -0.03 0.11 0.00 -0.00 0.00 0.00 56.01 55.88 2k21 n LEU 42 Cb 0.93 -0.14 0.04 0.00 -0.00 0.00 0.00 43.42 44.24 2k21 n LEU 42 CO 0.46 0.09 0.03 -0.62 -0.00 0.00 0.00 177.39 177.35 2k21 n GLU 43 N -0.86 0.40 -0.20 1.96 1.02 -1.26 -3.85 120.64 117.85 2k21 n GLU 43 Ca 0.16 0.04 0.07 0.00 -0.02 0.00 0.00 57.16 57.41 2k21 n GLU 43 Cb 0.26 -1.67 0.19 0.00 -0.02 0.00 0.00 31.44 30.20 2k21 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k21 n ALA 44 N -1.95 2.44 -2.07 0.62 0.00 -1.17 -5.01 120.51 113.36 2k21 n ALA 44 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2k21 n ALA 44 Cb 0.48 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2k21 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k21 n LEU 45 N 0.67 -5.74 0.30 0.00 4.77 -1.25 -4.56 117.00 111.19 2k21 n LEU 45 Ca 0.14 2.34 0.19 0.00 -0.03 0.00 0.00 56.01 58.64 2k21 n LEU 45 Cb 0.34 -2.82 1.01 0.00 -2.33 0.00 0.00 43.42 39.63 2k21 n LEU 45 CO 0.10 -2.31 1.16 0.10 -1.33 0.00 0.00 177.39 175.10 2k21 h TYR 46 N 3.46 0.00 0.31 -1.77 -0.00 -1.81 -3.13 116.97 114.02 2k21 h TYR 46 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 2k21 h TYR 46 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2k21 h TYR 46 CO 0.00 0.00 -0.15 0.28 -0.00 0.00 0.00 178.16 178.29 2k21 h VAL 47 N 0.00 0.26 -0.23 -0.90 2.07 -1.99 -1.68 116.25 113.78 2k21 h VAL 47 Ca 0.02 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2k21 h VAL 47 Cb 0.22 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2k21 h VAL 47 CO -0.00 0.07 0.03 -0.07 0.02 0.00 0.00 177.57 177.61 2k21 h LEU 48 N -1.05 0.30 -0.32 2.57 -0.00 -1.83 -1.01 115.31 113.97 2k21 h LEU 48 Ca -0.04 -0.04 0.03 0.00 -0.00 0.00 0.00 57.88 57.83 2k21 h LEU 48 Cb 0.43 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.98 2k21 h LEU 48 CO 0.07 0.34 0.15 -0.03 -0.00 0.00 0.00 178.44 178.97 2k21 h MET 49 N 0.33 0.30 -0.85 1.13 1.85 -1.63 -3.32 114.93 112.74 2k21 h MET 49 Ca 0.08 -0.02 0.14 0.00 -0.61 0.00 0.00 59.70 59.29 2k21 h MET 49 Cb 0.18 -0.07 -0.06 0.00 0.43 0.00 0.00 31.60 32.08 2k21 h MET 49 CO 0.00 0.20 0.55 0.28 -0.40 0.00 0.00 176.91 177.54 2k21 h VAL 50 N 0.31 0.83 0.28 -5.77 2.07 -0.19 0.23 116.25 114.02 2k21 h VAL 50 Ca 0.14 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2k21 h VAL 50 Cb 0.07 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2k21 h VAL 50 CO -0.11 0.11 -0.18 0.25 0.02 0.00 0.00 177.57 177.66 2k21 h LEU 51 N 0.62 -0.44 -1.69 2.57 5.85 -1.66 0.67 115.31 121.22 2k21 h LEU 51 Ca 0.42 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.13 2k21 h LEU 51 Cb 0.73 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2k21 h LEU 51 CO -0.18 -0.28 -0.19 1.23 -0.34 0.00 0.00 178.44 178.68 2k21 h GLY 52 N -0.45 0.00 1.84 3.75 0.00 -1.27 -1.77 103.07 105.18 2k21 h GLY 52 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.09 2k21 h GLY 52 CO 0.03 0.00 -0.98 -2.75 0.00 0.00 0.00 176.54 172.84 2k21 h PHE 53 N 0.00 0.21 -0.29 5.60 3.57 -0.58 -2.87 116.94 122.58 2k21 h PHE 53 Ca -0.00 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 2k21 h PHE 53 Cb 0.40 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2k21 h PHE 53 CO 0.00 1.02 -0.04 0.35 -2.23 0.00 0.00 178.31 177.41 2k21 h PHE 54 N 0.06 0.47 -0.39 0.41 3.04 -0.03 -1.13 116.94 119.37 2k21 h PHE 54 Ca -0.05 -0.05 0.05 0.00 3.98 0.00 0.00 57.97 61.91 2k21 h PHE 54 Cb 1.66 -0.13 -0.05 0.00 2.56 0.00 0.00 35.95 39.99 2k21 h PHE 54 CO 0.02 0.50 0.11 0.78 -2.02 0.00 0.00 178.31 177.70 2k21 h GLY 55 N 0.82 0.48 1.46 2.40 0.00 -1.18 -3.11 103.07 103.94 2k21 h GLY 55 Ca 0.09 -0.05 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 2k21 h GLY 55 CO 0.01 -0.00 -0.58 -2.75 0.00 0.00 0.00 176.54 173.22 2k21 h PHE 56 N 0.25 0.71 -0.96 5.60 3.57 -1.38 -2.90 116.94 121.82 2k21 h PHE 56 Ca 0.18 -0.26 0.09 0.00 3.53 0.00 0.00 57.97 61.51 2k21 h PHE 56 Cb 0.19 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 2k21 h PHE 56 CO -0.17 1.00 0.62 0.35 -2.23 0.00 0.00 178.31 177.88 2k21 h PHE 57 N 0.42 1.10 -0.29 0.41 3.57 -1.25 0.40 116.94 121.30 2k21 h PHE 57 Ca 0.00 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 2k21 h PHE 57 Cb 1.13 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2k21 h PHE 57 CO 0.05 0.52 -0.30 1.15 -2.23 0.00 0.00 178.31 177.50 2k21 h THR 58 N 1.03 1.30 0.00 4.41 2.02 -1.44 -2.55 112.91 117.68 2k21 h THR 58 Ca 0.44 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 66.16 2k21 h THR 58 Cb 0.33 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2k21 h THR 58 CO -0.20 0.47 -0.47 0.17 0.37 0.00 0.00 175.52 175.87 2k21 h LEU 59 N 0.47 0.00 -0.37 2.58 -0.00 -1.63 -3.39 115.31 112.96 2k21 h LEU 59 Ca 0.05 -0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 2k21 h LEU 59 Cb 0.87 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.50 2k21 h LEU 59 CO 0.07 0.03 0.18 1.23 -0.00 0.00 0.00 178.44 179.95 2k21 h GLY 60 N 4.20 0.50 1.18 0.17 0.00 0.24 0.62 103.07 109.98 2k21 h GLY 60 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 2k21 h GLY 60 CO 0.00 0.09 -0.24 0.16 0.00 0.00 0.00 176.54 176.55 2k21 h ILE 61 N 0.37 1.27 -0.14 2.60 3.07 -1.76 -3.22 117.51 119.70 2k21 h ILE 61 Ca 0.16 -1.40 -0.17 0.00 1.55 0.00 0.00 64.86 65.00 2k21 h ILE 61 Cb 0.08 1.18 -0.01 0.00 -0.27 0.00 0.00 36.82 37.80 2k21 h ILE 61 CO -0.12 0.48 -0.62 0.24 -1.05 0.00 0.00 178.15 177.08 2k21 h MET 62 N 0.80 0.50 -0.55 0.16 2.86 -1.71 -3.02 114.93 113.96 2k21 h MET 62 Ca 0.10 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2k21 h MET 62 Cb 0.81 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 2k21 h MET 62 CO 0.07 0.96 0.35 -0.07 1.06 0.00 0.00 176.91 179.29 2k21 h LEU 63 N 0.37 0.64 -1.08 1.22 3.38 0.15 0.40 115.31 120.39 2k21 h LEU 63 Ca -0.01 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2k21 h LEU 63 Cb 1.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2k21 h LEU 63 CO 0.11 0.47 -0.18 -1.28 0.09 0.00 0.00 178.44 177.65 2k21 h SER 64 N 0.75 0.43 0.05 -0.43 0.87 -1.54 1.74 113.55 115.42 2k21 h SER 64 Ca 0.20 -0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 2k21 h SER 64 Cb -0.07 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2k21 h SER 64 CO -0.04 0.63 -0.59 0.22 -0.53 0.00 0.00 176.83 176.52 2k21 h TYR 65 N 0.40 0.19 0.00 2.24 3.20 -1.25 -3.21 116.97 118.54 2k21 h TYR 65 Ca 0.07 -0.14 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 2k21 h TYR 65 Cb 0.55 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2k21 h TYR 65 CO 0.02 1.23 -0.27 0.82 -1.64 0.00 0.00 178.16 178.31 2k21 h ILE 66 N -0.75 1.01 0.08 1.81 2.04 0.05 -3.25 117.51 118.49 2k21 h ILE 66 Ca -0.13 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 2k21 h ILE 66 Cb 1.31 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2k21 h ILE 66 CO 0.01 0.27 -0.04 -0.09 0.00 0.00 0.00 178.15 178.30 2k21 h ARG 67 N 0.00 -0.10 -0.88 2.37 2.43 0.25 0.25 114.38 118.70 2k21 h ARG 67 Ca -0.00 0.01 0.23 0.00 -0.81 0.00 0.00 59.98 59.40 2k21 h ARG 67 Cb 0.55 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 2k21 h ARG 67 CO 0.04 0.14 0.60 1.03 -1.51 0.00 0.00 179.97 180.27 2k21 h SER 68 N -0.34 0.21 0.14 -3.80 0.87 -1.59 -1.67 113.55 107.36 2k21 h SER 68 Ca -0.01 0.02 -0.31 0.00 -1.23 0.00 0.00 61.79 60.27 2k21 h SER 68 Cb 0.29 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2k21 h SER 68 CO 0.02 0.08 -1.56 0.50 -0.53 0.00 0.00 176.83 175.33 2k21 h LYS 69 N 0.21 0.29 0.00 2.24 3.64 -1.55 -3.38 116.57 118.02 2k21 h LYS 69 Ca 0.44 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2k21 h LYS 69 Cb 1.40 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2k21 h LYS 69 CO -0.10 1.24 0.00 1.17 -2.27 0.00 0.00 179.45 179.49 2k21 n LYS 70 N -3.79 0.41 0.00 1.90 0.00 0.87 -2.20 118.16 115.35 2k21 n LYS 70 Ca -0.26 0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.07 2k21 n LYS 70 Cb 0.96 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.49 2k21 n LYS 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2k21 n LEU 71 N -1.03 1.65 0.00 3.14 7.94 -0.66 -3.76 117.00 124.28 2k21 n LEU 71 Ca 0.10 -0.82 0.02 0.00 -1.11 0.00 0.00 56.01 54.19 2k21 n LEU 71 Cb 0.06 -0.34 0.08 0.00 0.53 0.00 0.00 43.42 43.74 2k21 n LEU 71 CO 0.08 0.29 0.45 -0.62 -1.11 0.00 0.00 177.39 176.48 2k21 n GLU 72 N 0.50 0.05 -1.62 1.96 4.71 -0.94 -4.75 120.64 120.56 2k21 n GLU 72 Ca 0.00 0.23 -0.38 0.00 -0.01 0.00 0.00 57.16 57.00 2k21 n GLU 72 Cb 0.29 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.27 2k21 n GLU 72 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2k21 n HIS 73 N -1.26 0.88 -2.57 -0.32 8.25 -1.25 -5.00 115.22 113.95 2k21 n HIS 73 Ca 0.02 0.44 -0.43 0.00 -0.26 0.00 0.00 57.72 57.49 2k21 n HIS 73 Cb 0.02 -2.15 -0.02 0.00 1.12 0.00 0.00 29.99 28.96 2k21 n HIS 73 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2k21 s SER 74 N -1.19 6.73 -0.29 0.41 0.15 -1.26 -5.02 113.70 113.23 2k21 s SER 74 Ca 0.74 0.81 -0.03 0.00 0.70 0.00 0.00 55.95 58.17 2k21 s SER 74 Cb -0.43 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.37 2k21 s SER 74 CO 0.48 -1.10 0.01 0.20 1.20 0.00 0.00 173.24 174.03 2k21 s ASN 75 N 2.30 4.80 0.79 5.45 0.02 -1.26 -5.05 114.94 122.00 2k21 s ASN 75 Ca 0.49 -1.01 -0.14 0.00 -1.02 0.00 0.00 52.86 51.18 2k21 s ASN 75 Cb -0.11 -1.75 0.07 0.00 0.02 0.00 0.00 41.25 39.49 2k21 s ASN 75 CO 0.25 -0.21 1.22 1.51 0.02 0.00 0.00 177.10 179.89 2k21 s ASP 76 N 1.34 3.68 0.00 -1.22 -4.77 -1.26 -4.94 116.67 109.50 2k21 s ASP 76 Ca -0.01 2.42 0.21 0.00 -3.30 0.00 0.00 52.55 51.86 2k21 s ASP 76 Cb -0.18 -2.59 1.24 0.00 -1.09 0.00 0.00 42.92 40.29 2k21 s ASP 76 CO -0.01 -2.61 1.63 -0.81 0.70 0.00 0.00 175.17 174.06 2k21 n PRO 77 N -3.13 0.67 0.27 2.11 -0.04 -1.26 -3.12 135.00 130.50 2k21 n PRO 77 Ca 0.14 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 2k21 n PRO 77 Cb 0.50 -1.48 0.76 0.00 -0.04 0.00 0.00 33.50 33.24 2k21 n PRO 77 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2k21 h PHE 78 N 0.00 0.00 0.00 0.54 -1.00 -2.00 -2.66 116.94 111.82 2k21 h PHE 78 Ca 0.00 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.64 2k21 h PHE 78 Cb 0.00 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 2k21 h PHE 78 CO 0.00 0.09 -1.34 0.09 -1.61 0.00 0.00 178.31 175.54 2k21 n ASN 79 N -3.80 0.86 -0.06 2.17 3.02 -1.18 -3.61 115.26 112.66 2k21 n ASN 79 Ca -0.02 0.37 -0.15 0.00 -0.03 0.00 0.00 54.58 54.75 2k21 n ASN 79 Cb 0.19 0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.51 2k21 n ASN 79 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2k21 h VAL 80 N 0.00 1.32 0.00 2.41 2.07 -1.69 -3.37 116.25 116.99 2k21 h VAL 80 Ca -0.13 -1.68 -0.12 0.00 0.82 0.00 0.00 66.70 65.59 2k21 h VAL 80 Cb 1.48 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 2k21 h VAL 80 CO 0.04 0.53 -0.55 1.88 0.02 0.00 0.00 177.57 179.48 2k21 h TYR 81 N 0.38 0.00 -2.38 1.57 0.05 -1.59 -3.43 116.97 111.56 2k21 h TYR 81 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.23 2k21 h TYR 81 Cb 1.06 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.71 2k21 h TYR 81 CO 0.09 0.55 -0.61 0.96 -1.05 0.00 0.00 178.16 178.10 2k21 s ILE 82 N -3.67 3.82 0.17 -2.88 -4.36 -1.24 -5.16 121.20 107.87 2k21 s ILE 82 Ca -0.01 -1.63 0.10 0.00 -0.26 0.00 0.00 60.65 58.84 2k21 s ILE 82 Cb 0.13 -3.02 -0.04 0.00 1.25 0.00 0.00 42.46 40.78 2k21 s ILE 82 CO 0.75 -0.29 -0.21 -0.70 0.24 0.00 0.00 174.94 174.72 2k21 s GLU 83 N -3.52 1.35 0.00 0.37 2.56 -1.26 -4.78 118.70 113.42 2k21 s GLU 83 Ca 0.31 -1.42 0.17 0.00 0.00 0.00 0.00 54.97 54.03 2k21 s GLU 83 Cb -0.08 -1.55 0.84 0.00 2.00 0.00 0.00 34.13 35.34 2k21 s GLU 83 CO 0.21 0.33 1.54 0.45 -0.56 0.00 0.00 175.26 177.23 2k21 n SER 84 N 0.40 0.00 0.03 -1.70 2.88 -1.26 -1.40 113.62 112.57 2k21 n SER 84 Ca -0.14 0.19 -0.22 0.00 -1.33 0.00 0.00 58.87 57.38 2k21 n SER 84 Cb 0.56 -0.36 -0.14 0.00 -0.75 0.00 0.00 64.21 63.52 2k21 n SER 84 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2k21 h ASP 85 N 0.00 0.50 0.78 -3.46 3.32 -2.03 -3.36 116.42 112.17 2k21 h ASP 85 Ca 0.00 -0.95 -0.25 0.00 0.02 0.00 0.00 57.03 55.86 2k21 h ASP 85 Cb 0.21 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2k21 h ASP 85 CO 0.00 1.83 -1.26 0.00 -1.72 0.00 0.00 179.24 178.09 2k21 h ALA 86 N 0.08 0.44 -6.69 3.45 0.00 -1.95 -3.49 119.26 111.10 2k21 h ALA 86 Ca -0.39 -1.07 -0.49 0.00 0.00 0.00 0.00 54.91 52.95 2k21 h ALA 86 Cb 2.05 0.07 -0.30 0.00 0.00 0.00 0.00 17.79 19.61 2k21 h ALA 86 CO 0.12 1.31 -0.71 -2.67 0.00 0.00 0.00 179.25 177.30 2k21 n TRP 87 N -3.29 -1.37 -0.04 0.00 4.27 -0.49 -4.86 117.44 111.66 2k21 n TRP 87 Ca -0.07 0.54 -0.14 0.00 -3.89 0.00 0.00 57.50 53.94 2k21 n TRP 87 Cb 0.99 -1.72 -0.09 0.00 -1.36 0.00 0.00 31.31 29.12 2k21 n TRP 87 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 2k21 h GLN 88 N -0.70 0.27 -7.14 -2.67 5.75 -1.95 -3.42 115.11 105.24 2k21 h GLN 88 Ca -0.47 -0.18 -0.45 0.00 -0.15 0.00 0.00 58.65 57.40 2k21 h GLN 88 Cb 1.30 0.03 0.08 0.00 1.07 0.00 0.00 27.48 29.96 2k21 h GLN 88 CO 0.70 0.79 0.12 -1.21 -2.65 0.00 0.00 178.83 176.58 2k21 s GLU 89 N -3.87 1.97 0.00 1.69 2.02 -1.26 -5.01 118.70 114.23 2k21 s GLU 89 Ca -0.15 -0.75 0.23 0.00 0.02 0.00 0.00 54.97 54.33 2k21 s GLU 89 Cb 0.03 -2.30 0.46 0.00 0.10 0.00 0.00 34.13 32.43 2k21 s GLU 89 CO 0.75 -1.27 1.42 1.63 0.02 0.00 0.00 175.26 177.81 2k21 n LYS 90 N -2.79 2.40 -2.56 1.61 5.02 -1.26 -4.93 118.16 115.65 2k21 n LYS 90 Ca 0.11 -2.10 -0.16 0.00 -2.02 0.00 0.00 58.31 54.14 2k21 n LYS 90 Cb 0.60 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 2k21 n LYS 90 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k21 n ASP 91 N 1.32 -4.79 0.09 4.39 8.00 -1.26 -4.79 116.55 119.52 2k21 n ASP 91 Ca 0.19 -0.11 0.02 0.00 0.71 0.00 0.00 54.79 55.60 2k21 n ASP 91 Cb 0.57 -3.79 0.39 0.00 -0.02 0.00 0.00 41.12 38.27 2k21 n ASP 91 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2k21 h LYS 92 N -0.52 0.30 -0.52 -1.24 3.64 -1.99 0.47 116.57 116.71 2k21 h LYS 92 Ca -0.38 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 58.83 2k21 h LYS 92 Cb 1.27 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2k21 h LYS 92 CO 0.43 0.39 -0.12 0.00 -2.27 0.00 0.00 179.45 177.88 2k21 h ALA 93 N 1.64 0.81 -0.09 5.00 0.00 -2.00 -2.95 119.26 121.67 2k21 h ALA 93 Ca 0.06 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 2k21 h ALA 93 Cb 0.32 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k21 h ALA 93 CO 0.01 0.66 -0.51 -0.92 0.00 0.00 0.00 179.25 178.50 2k21 h TYR 94 N 0.87 0.69 -0.05 0.00 3.20 -0.85 -2.22 116.97 118.61 2k21 h TYR 94 Ca 0.14 -0.31 0.03 0.00 3.14 0.00 0.00 58.73 61.73 2k21 h TYR 94 Cb 0.67 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2k21 h TYR 94 CO 0.04 1.09 -0.20 0.28 -1.64 0.00 0.00 178.16 177.73 2k21 h VAL 95 N 0.09 0.52 0.28 1.81 2.07 -0.38 1.34 116.25 121.98 2k21 h VAL 95 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k21 h VAL 95 Cb 1.16 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2k21 h VAL 95 CO 0.10 0.00 -0.23 -0.61 0.02 0.00 0.00 177.57 176.86 2k21 h GLN 96 N -0.30 -0.50 -0.45 1.57 4.15 -1.60 0.47 115.11 118.45 2k21 h GLN 96 Ca 0.07 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 2k21 h GLN 96 Cb 0.40 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 2k21 h GLN 96 CO -0.22 -0.33 0.06 0.00 -1.93 0.00 0.00 178.83 176.41 2k21 h ALA 97 N 0.14 1.27 -0.02 3.38 0.00 -0.69 -2.90 119.26 120.44 2k21 h ALA 97 Ca -0.02 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 2k21 h ALA 97 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2k21 h ALA 97 CO -0.01 0.50 -0.74 -0.09 0.00 0.00 0.00 179.25 178.91 2k21 h ARG 98 N 0.67 0.12 -0.48 0.00 2.43 0.18 -3.01 114.38 114.29 2k21 h ARG 98 Ca 0.14 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2k21 h ARG 98 Cb 0.33 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2k21 h ARG 98 CO 0.01 0.81 0.17 -0.24 -1.51 0.00 0.00 179.97 179.21 2k21 h VAL 99 N 0.08 1.19 0.11 0.20 3.04 0.16 2.85 116.25 123.88 2k21 h VAL 99 Ca -0.02 -0.61 -0.19 0.00 -1.01 0.00 0.00 66.70 64.87 2k21 h VAL 99 Cb 1.31 0.63 0.02 0.00 -2.01 0.00 0.00 31.29 31.24 2k21 h VAL 99 CO 0.11 0.23 -0.83 0.25 -1.01 0.00 0.00 177.57 176.32 2k21 h LEU 100 N 0.69 0.53 -0.56 3.16 5.85 -1.62 -2.88 115.31 120.48 2k21 h LEU 100 Ca 0.16 -0.90 -0.15 0.00 0.84 0.00 0.00 57.88 57.84 2k21 h LEU 100 Cb 0.17 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2k21 h LEU 100 CO -0.01 1.38 -0.71 -0.33 -0.34 0.00 0.00 178.44 178.43 2k21 h GLU 101 N -0.24 0.00 -0.10 1.25 4.39 -1.03 -2.65 114.58 116.20 2k21 h GLU 101 Ca -0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2k21 h GLU 101 Cb 1.61 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.26 2k21 h GLU 101 CO 0.16 0.71 0.02 1.03 -1.16 0.00 0.00 179.01 179.76 2k21 h SER 102 N 0.00 0.17 0.16 1.42 0.87 0.49 -1.67 113.55 114.98 2k21 h SER 102 Ca -0.01 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.24 2k21 h SER 102 Cb 1.27 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2k21 h SER 102 CO 0.09 0.39 -0.20 0.22 -0.53 0.00 0.00 176.83 176.80 2k21 h TYR 103 N -0.06 0.09 0.12 2.24 5.03 -1.37 -0.56 116.97 122.47 2k21 h TYR 103 Ca 0.03 -0.01 -0.30 0.00 2.58 0.00 0.00 58.73 61.03 2k21 h TYR 103 Cb 0.29 -0.03 0.03 0.00 1.55 0.00 0.00 36.73 38.58 2k21 h TYR 103 CO 0.02 0.29 -1.25 0.87 -1.32 0.00 0.00 178.16 176.77 2k21 h LYS 104 N 0.08 0.60 -0.01 1.82 1.57 -1.53 -2.72 116.57 116.38 2k21 h LYS 104 Ca 0.02 -0.81 -0.01 0.00 -1.87 0.00 0.00 60.65 57.98 2k21 h LYS 104 Cb 0.41 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2k21 h LYS 104 CO 0.03 1.37 -0.01 1.03 -0.57 0.00 0.00 179.45 181.29 2k21 h SER 105 N 0.26 0.03 1.67 0.86 0.87 -1.25 -3.32 113.55 112.67 2k21 h SER 105 Ca -0.19 -0.52 -0.04 0.00 -1.23 0.00 0.00 61.79 59.82 2k21 h SER 105 Cb 1.92 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.87 2k21 h SER 105 CO 0.24 0.54 -0.33 0.00 -0.53 0.00 0.00 176.83 176.75 2k21 n TYR 107 N -3.07 0.00 -4.84 0.00 9.36 -1.02 -4.62 117.16 112.97 2k21 n TYR 107 Ca 0.02 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.97 2k21 n TYR 107 Cb 0.60 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 39.17 2k21 n TYR 107 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2k21 s VAL 108 N 0.00 1.77 -0.39 2.97 -7.23 -1.26 -4.69 120.40 111.56 2k21 s VAL 108 Ca 0.00 -1.14 -0.16 0.00 -1.81 0.00 0.00 61.98 58.87 2k21 s VAL 108 Cb 0.00 -1.51 0.01 0.00 0.56 0.00 0.00 36.38 35.44 2k21 s VAL 108 CO 0.00 0.33 0.39 -0.69 -0.31 0.00 0.00 175.10 174.82 2k21 s VAL 109 N -0.70 5.15 0.00 1.32 1.01 -1.26 -4.86 120.40 121.06 2k21 s VAL 109 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2k21 s VAL 109 Cb -0.09 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.34 2k21 s VAL 109 CO 0.01 -0.30 0.00 1.21 0.00 0.00 0.00 175.10 176.02 2k21 n GLU 110 N 5.45 0.00 -3.69 2.72 2.13 -1.26 -5.17 120.64 120.82 2k21 n GLU 110 Ca -0.09 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.61 2k21 n GLU 110 Cb 0.48 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.10 2k21 n GLU 110 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2k21 s ASN 111 N -1.33 -0.58 0.05 4.31 -0.87 -1.26 -5.17 114.94 110.10 2k21 s ASN 111 Ca 0.00 1.05 -0.30 0.00 -1.57 0.00 0.00 52.86 52.04 2k21 s ASN 111 Cb 0.00 1.02 -0.04 0.00 -0.02 0.00 0.00 41.25 42.20 2k21 s ASN 111 CO 0.00 -0.19 0.97 -2.28 -2.57 0.00 0.00 177.10 173.03 2k21 s HIS 112 N 0.70 3.73 -0.92 2.20 5.65 -1.26 -5.00 115.29 120.38 2k21 s HIS 112 Ca -0.03 1.74 -0.20 0.00 0.25 0.00 0.00 55.06 56.82 2k21 s HIS 112 Cb -0.05 -3.09 0.11 0.00 -1.18 0.00 0.00 32.58 28.37 2k21 s HIS 112 CO -0.05 0.09 1.17 -0.51 -0.65 0.00 0.00 174.74 174.78 2k21 s LEU 113 N 0.57 4.74 -0.01 8.88 1.02 -1.26 -4.80 118.68 127.82 2k21 s LEU 113 Ca 0.50 -1.86 0.22 0.00 0.02 0.00 0.00 54.13 53.00 2k21 s LEU 113 Cb -0.22 -2.43 -0.29 0.00 0.02 0.00 0.00 46.19 43.27 2k21 s LEU 113 CO 0.29 -1.17 0.54 0.00 0.02 0.00 0.00 176.35 176.03 2k21 n ALA 114 N 7.03 2.69 -0.09 4.21 0.00 -1.26 -4.66 120.51 128.43 2k21 n ALA 114 Ca 0.23 -0.52 -0.17 0.00 0.00 0.00 0.00 53.44 52.98 2k21 n ALA 114 Cb 0.49 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 19.06 2k21 n ALA 114 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2k21 h ILE 115 N 0.00 1.06 -3.53 0.00 5.03 -1.87 -3.39 117.51 114.81 2k21 h ILE 115 Ca -0.03 -2.08 -0.49 0.00 -0.12 0.00 0.00 64.86 62.14 2k21 h ILE 115 Cb 1.07 2.29 0.03 0.00 -3.03 0.00 0.00 36.82 37.18 2k21 h ILE 115 CO 0.00 0.36 0.08 -1.61 -0.68 0.00 0.00 178.15 176.31 2k21 s GLU 116 N -2.27 3.58 0.43 2.37 8.01 -1.26 -4.59 118.70 124.96 2k21 s GLU 116 Ca -0.23 0.20 -0.24 0.00 0.01 0.00 0.00 54.97 54.71 2k21 s GLU 116 Cb 0.03 -2.41 -0.08 0.00 -4.31 0.00 0.00 34.13 27.36 2k21 s GLU 116 CO 0.56 -0.14 1.16 -0.65 0.01 0.00 0.00 175.26 176.20 2k21 s GLN 117 N -4.53 3.92 0.58 1.61 -0.21 -1.26 -4.86 119.66 114.91 2k21 s GLN 117 Ca 0.47 1.78 -0.19 0.00 0.02 0.00 0.00 55.36 57.44 2k21 s GLN 117 Cb -0.10 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 2k21 s GLN 117 CO 0.42 -0.42 1.19 -1.25 -2.12 0.00 0.00 175.29 173.11 2k21 s PRO 118 N -2.51 3.08 -0.01 2.91 0.04 -1.26 -5.06 135.00 132.18 2k21 s PRO 118 Ca 0.60 1.79 0.08 0.00 0.04 0.00 0.00 61.00 63.51 2k21 s PRO 118 Cb -0.29 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 2k21 s PRO 118 CO 0.36 -1.11 -0.25 1.21 0.04 0.00 0.00 177.00 177.24 2k21 s ASN 119 N -1.61 2.93 -0.03 6.66 3.84 -1.26 -5.13 114.94 120.34 2k21 s ASN 119 Ca 0.76 -0.47 -0.30 0.00 0.21 0.00 0.00 52.86 53.06 2k21 s ASN 119 Cb -0.29 -0.32 -0.03 0.00 -0.55 0.00 0.00 41.25 40.06 2k21 s ASN 119 CO 0.32 0.30 1.11 -0.89 -2.79 0.00 0.00 177.10 175.15 2k21 s THR 120 N -0.61 4.45 0.09 -5.21 2.01 -1.26 -5.07 115.64 110.04 2k21 s THR 120 Ca 0.10 1.76 0.09 0.00 0.31 0.00 0.00 61.69 63.94 2k21 s THR 120 Cb -0.10 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2k21 s THR 120 CO -0.01 0.06 -0.23 -1.00 -0.69 0.00 0.00 174.62 172.76 2k21 s HIS 121 N 1.63 2.42 0.29 4.92 3.76 -1.26 -5.15 115.29 121.90 2k21 s HIS 121 Ca 0.54 -0.33 -0.23 0.00 -0.15 0.00 0.00 55.06 54.89 2k21 s HIS 121 Cb -0.24 -1.35 -0.09 0.00 1.11 0.00 0.00 32.58 32.01 2k21 s HIS 121 CO 0.24 0.28 0.85 -0.51 -0.85 0.00 0.00 174.74 174.75 2k21 s LEU 122 N -1.74 4.30 0.09 0.89 1.43 -1.26 -5.01 118.68 117.38 2k21 s LEU 122 Ca 0.14 1.64 -0.31 0.00 -1.03 0.00 0.00 54.13 54.58 2k21 s LEU 122 Cb -0.10 -3.90 -0.07 0.00 0.03 0.00 0.00 46.19 42.15 2k21 s LEU 122 CO 0.06 -0.06 1.33 -2.16 0.23 0.00 0.00 176.35 175.75 2k21 s PRO 123 N -2.15 4.35 0.10 1.29 0.04 -1.26 -5.05 135.00 132.32 2k21 s PRO 123 Ca 0.48 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.56 2k21 s PRO 123 Cb -0.17 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 2k21 s PRO 123 CO 0.22 -0.40 -0.16 -1.83 0.04 0.00 0.00 177.00 174.87 2k21 s GLU 124 N 1.21 1.00 -0.17 4.56 -1.05 -1.26 -5.16 118.70 117.83 2k21 s GLU 124 Ca 0.63 -1.14 -0.01 0.00 -0.15 0.00 0.00 54.97 54.30 2k21 s GLU 124 Cb -0.34 -1.03 -0.01 0.00 -0.44 0.00 0.00 34.13 32.31 2k21 s GLU 124 CO 0.30 0.22 -0.12 0.95 0.95 0.00 0.00 175.26 177.56 2k21 s THR 125 N -1.59 2.96 0.68 1.83 -4.23 -1.26 -4.83 115.64 109.20 2k21 s THR 125 Ca 0.05 -0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 59.76 2k21 s THR 125 Cb -0.08 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.49 2k21 s THR 125 CO 0.03 0.49 1.09 -1.59 -0.54 0.00 0.00 174.62 174.11 2k21 s LYS 126 N 0.89 2.78 0.46 3.99 0.00 -1.26 -5.07 119.74 121.53 2k21 s LYS 126 Ca -0.03 1.25 -0.23 0.00 0.00 0.00 0.00 55.97 56.97 2k21 s LYS 126 Cb -0.15 -1.96 -0.07 0.00 0.00 0.00 0.00 37.83 35.65 2k21 s LYS 126 CO -0.00 -1.25 1.17 -1.25 0.00 0.00 0.00 175.35 174.02 2k21 s PRO 127 N -4.39 3.73 -0.64 1.78 0.04 -1.26 -5.06 135.00 129.20 2k21 s PRO 127 Ca 0.64 1.80 -0.07 0.00 0.04 0.00 0.00 61.00 63.40 2k21 s PRO 127 Cb -0.18 -2.40 0.17 0.00 0.04 0.00 0.00 34.50 32.13 2k21 s PRO 127 CO 0.46 -0.58 0.50 -1.12 0.04 0.00 0.00 177.00 176.30 2k21 s SER 128 N -1.34 5.74 0.00 6.66 0.01 -1.26 -5.35 113.70 118.16 2k21 s SER 128 Ca 0.64 -2.60 0.31 0.00 1.31 0.00 0.00 55.95 55.61 2k21 s SER 128 Cb -0.29 -1.98 1.80 0.00 0.21 0.00 0.00 66.02 65.76 2k21 s SER 128 CO 0.35 -0.49 2.17 -0.81 0.41 0.00 0.00 173.24 174.87