#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k21 n ILE 2 N 0.00 0.36 0.18 3.17 -5.35 -1.26 -3.97 119.36 112.49 2k21 n ILE 2 Ca 0.00 -0.57 0.05 0.00 -0.27 0.00 0.00 62.75 61.96 2k21 n ILE 2 Cb 0.00 0.76 0.08 0.00 -1.74 0.00 0.00 39.64 38.74 2k21 n ILE 2 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2k21 n LEU 3 N 1.02 2.26 -0.10 7.28 4.77 -1.26 -4.63 117.00 126.34 2k21 n LEU 3 Ca 0.18 -1.41 0.10 0.00 -0.03 0.00 0.00 56.01 54.85 2k21 n LEU 3 Cb 0.49 -0.09 0.57 0.00 -2.33 0.00 0.00 43.42 42.07 2k21 n LEU 3 CO 0.15 0.50 0.87 -0.24 -1.33 0.00 0.00 177.39 177.34 2k21 n SER 4 N 0.51 0.29 -0.29 -1.43 2.88 -1.25 -3.62 113.62 110.72 2k21 n SER 4 Ca 0.08 -1.42 -0.03 0.00 -1.33 0.00 0.00 58.87 56.17 2k21 n SER 4 Cb 0.32 -0.02 0.09 0.00 -0.75 0.00 0.00 64.21 63.85 2k21 n SER 4 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2k21 h ASN 5 N 0.40 0.85 0.10 -3.46 7.08 -1.87 0.17 115.58 118.85 2k21 h ASN 5 Ca 0.00 -0.01 -0.10 0.00 -3.08 0.00 0.00 56.30 53.11 2k21 h ASN 5 Cb 0.09 -0.19 -0.01 0.00 -2.08 0.00 0.00 38.32 36.12 2k21 h ASN 5 CO 0.00 0.59 -0.35 0.71 -2.08 0.00 0.00 177.43 176.30 2k21 h THR 6 N 1.00 1.29 0.00 6.14 1.35 -1.96 -1.07 112.91 119.65 2k21 h THR 6 Ca 0.31 -1.40 -0.10 0.00 -0.55 0.00 0.00 66.41 64.67 2k21 h THR 6 Cb -0.01 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 2k21 h THR 6 CO -0.10 0.43 -0.49 0.74 -0.25 0.00 0.00 175.52 175.85 2k21 h THR 7 N 0.30 1.18 0.00 6.82 2.02 -1.58 -3.24 112.91 118.42 2k21 h THR 7 Ca 0.04 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.45 2k21 h THR 7 Cb 0.75 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 2k21 h THR 7 CO 0.06 0.48 0.00 0.00 0.37 0.00 0.00 175.52 176.42 2k21 h ALA 8 N 1.51 1.00 0.00 6.16 0.00 0.64 -2.40 119.26 126.17 2k21 h ALA 8 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k21 h ALA 8 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k21 h ALA 8 CO 0.06 0.00 -0.93 0.28 0.00 0.00 0.00 179.25 178.66 2k21 n VAL 9 N -2.34 0.12 -1.58 0.00 0.31 -1.07 -4.94 118.33 108.83 2k21 n VAL 9 Ca 0.04 -0.17 -0.46 0.00 -0.01 0.00 0.00 64.34 63.74 2k21 n VAL 9 Cb 0.35 0.32 -0.02 0.00 -0.91 0.00 0.00 33.84 33.58 2k21 n VAL 9 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2k21 n THR 10 N -1.82 1.61 0.32 2.52 -2.24 -0.91 -4.86 114.28 108.89 2k21 n THR 10 Ca 0.03 -0.40 0.15 0.00 -2.27 0.00 0.00 64.05 61.56 2k21 n THR 10 Cb 0.40 -0.92 0.67 0.00 -2.10 0.00 0.00 70.33 68.39 2k21 n THR 10 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2k21 h PRO 11 N 2.47 0.00 -0.76 -0.78 0.13 -1.95 -2.22 132.00 128.88 2k21 h PRO 11 Ca -0.40 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2k21 h PRO 11 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 2k21 h PRO 11 CO 0.64 0.00 0.30 0.35 -0.23 0.00 0.00 178.00 179.06 2k21 h PHE 12 N 0.00 1.17 0.00 1.56 3.57 -1.98 -3.25 116.94 118.01 2k21 h PHE 12 Ca 0.00 -0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.29 2k21 h PHE 12 Cb 0.32 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2k21 h PHE 12 CO 0.00 0.89 -0.57 -0.07 -2.23 0.00 0.00 178.31 176.33 2k21 h LEU 13 N 1.11 0.00 -0.98 0.59 4.07 -1.75 -3.13 115.31 115.21 2k21 h LEU 13 Ca 0.25 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.38 2k21 h LEU 13 Cb 0.23 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.87 2k21 h LEU 13 CO -0.02 0.57 0.59 0.74 -1.08 0.00 0.00 178.44 179.24 2k21 h THR 14 N 0.00 0.75 0.04 0.22 2.02 -1.63 0.25 112.91 114.56 2k21 h THR 14 Ca -0.01 -0.27 -0.19 0.00 0.77 0.00 0.00 66.41 66.72 2k21 h THR 14 Cb 1.07 -0.11 0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2k21 h THR 14 CO 0.07 0.14 -0.77 0.50 0.37 0.00 0.00 175.52 175.84 2k21 h LYS 15 N 0.78 0.44 -0.29 6.66 3.64 -1.69 -0.61 116.57 125.50 2k21 h LYS 15 Ca 0.55 -0.53 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2k21 h LYS 15 Cb 0.79 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2k21 h LYS 15 CO -0.36 1.19 -0.19 1.25 -2.27 0.00 0.00 179.45 179.07 2k21 h LEU 16 N -0.07 0.51 0.12 5.20 5.85 -1.36 -1.50 115.31 124.07 2k21 h LEU 16 Ca -0.11 -0.15 -0.29 0.00 0.84 0.00 0.00 57.88 58.17 2k21 h LEU 16 Cb 1.49 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 2k21 h LEU 16 CO 0.15 0.71 -1.35 -0.25 -0.34 0.00 0.00 178.44 177.36 2k21 h TRP 17 N 0.47 0.46 -0.48 1.25 7.01 -0.45 0.12 115.95 124.33 2k21 h TRP 17 Ca 0.08 -0.34 -0.07 0.00 2.11 0.00 0.00 58.89 60.67 2k21 h TRP 17 Cb 0.59 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.61 2k21 h TRP 17 CO 0.02 1.31 0.01 0.37 -2.79 0.00 0.00 178.44 177.36 2k21 h GLN 18 N 0.07 0.80 -0.37 2.65 4.15 -1.10 -1.86 115.11 119.45 2k21 h GLN 18 Ca -0.17 -0.21 -0.14 0.00 0.77 0.00 0.00 58.65 58.90 2k21 h GLN 18 Cb 1.99 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 29.57 2k21 h GLN 18 CO 0.18 0.80 -0.32 0.93 -1.93 0.00 0.00 178.83 178.50 2k21 h GLU 19 N 0.75 0.81 -0.64 1.69 3.07 -1.12 -0.63 114.58 118.50 2k21 h GLU 19 Ca 0.15 -0.38 -0.05 0.00 -0.50 0.00 0.00 59.36 58.58 2k21 h GLU 19 Cb 0.44 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 2k21 h GLU 19 CO 0.02 1.01 0.22 1.15 -1.40 0.00 0.00 179.01 180.01 2k21 h THR 20 N 0.68 1.24 0.18 1.13 2.02 -0.43 0.23 112.91 117.97 2k21 h THR 20 Ca 0.07 -0.79 -0.29 0.00 0.77 0.00 0.00 66.41 66.17 2k21 h THR 20 Cb 0.86 0.51 0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2k21 h THR 20 CO 0.08 0.31 -1.39 0.58 0.37 0.00 0.00 175.52 175.46 2k21 h VAL 21 N 0.94 1.18 0.17 3.16 2.07 -1.21 -2.35 116.25 120.21 2k21 h VAL 21 Ca 0.21 -2.55 -0.26 0.00 0.82 0.00 0.00 66.70 64.92 2k21 h VAL 21 Cb 0.24 2.93 0.03 0.00 -1.52 0.00 0.00 31.29 32.98 2k21 h VAL 21 CO -0.01 0.78 -1.13 -0.61 0.02 0.00 0.00 177.57 176.62 2k21 h GLN 22 N -0.08 0.46 0.16 1.57 4.15 -0.82 -3.31 115.11 117.24 2k21 h GLN 22 Ca -0.27 -0.73 -0.30 0.00 0.77 0.00 0.00 58.65 58.13 2k21 h GLN 22 Cb 1.95 0.26 0.01 0.00 0.21 0.00 0.00 27.48 29.91 2k21 h GLN 22 CO 0.18 1.34 -1.38 0.37 -1.93 0.00 0.00 178.83 177.40 2k21 h GLN 23 N -0.04 0.33 0.00 1.69 5.75 -0.75 -3.49 115.11 118.61 2k21 h GLN 23 Ca -0.19 -0.57 0.00 0.00 -0.15 0.00 0.00 58.65 57.74 2k21 h GLN 23 Cb 1.87 0.21 0.00 0.00 1.07 0.00 0.00 27.48 30.63 2k21 h GLN 23 CO 0.21 1.25 0.00 0.41 -2.65 0.00 0.00 178.83 178.06 2k21 n GLY 24 N 1.62 0.68 2.67 2.39 0.00 -0.90 -4.63 105.19 107.02 2k21 n GLY 24 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.05 -4.30 0.15 -0.02 0.00 -1.12 -4.46 105.19 93.38 2k21 n GLY 25 Ca 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 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 2.97 0.38 -0.61 1.61 -0.00 -1.95 -3.07 115.58 114.91 2k21 h ASN 26 Ca -0.01 -0.28 -0.08 0.00 -0.00 0.00 0.00 56.30 55.93 2k21 h ASN 26 Cb 0.02 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 38.20 2k21 h ASN 26 CO 0.09 1.05 0.07 0.00 -0.00 0.00 0.00 177.43 178.65 2k21 h MET 27 N 0.19 1.02 0.00 6.67 -0.00 -2.00 -3.12 114.93 117.69 2k21 h MET 27 Ca -0.04 -0.29 -0.00 0.00 -0.00 0.00 0.00 59.70 59.37 2k21 h MET 27 Cb 1.43 -0.11 -0.00 0.00 -0.00 0.00 0.00 31.60 32.91 2k21 h MET 27 CO 0.13 0.97 -0.01 1.03 -0.00 0.00 0.00 176.91 179.04 2k21 h SER 28 N 0.93 0.00 -0.60 -0.10 0.87 -1.90 -3.47 113.55 109.28 2k21 h SER 28 Ca 0.18 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 2k21 h SER 28 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2k21 h SER 28 CO 0.02 0.01 -0.08 0.61 -0.53 0.00 0.00 176.83 176.86 2k21 n GLY 29 N -0.34 0.33 0.01 5.77 0.00 -1.18 -4.96 105.19 104.81 2k21 n GLY 29 Ca -0.01 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.52 0.63 0.25 0.99 7.94 -1.24 -4.02 117.00 121.03 2k21 n LEU 30 Ca -0.03 -0.11 0.09 0.00 -1.11 0.00 0.00 56.01 54.86 2k21 n LEU 30 Cb 0.52 -0.18 0.65 0.00 0.53 0.00 0.00 43.42 44.94 2k21 n LEU 30 CO 0.05 0.14 0.96 0.00 -1.11 0.00 0.00 177.39 177.43 2k21 h ALA 31 N 2.94 1.53 0.00 1.96 0.00 -1.78 -2.78 119.26 121.13 2k21 h ALA 31 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 2k21 h ALA 31 Cb 0.53 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2k21 h ALA 31 CO 0.00 0.16 -1.39 -0.09 0.00 0.00 0.00 179.25 177.93 2k21 h ARG 32 N 0.00 0.00 -6.60 0.00 2.43 -1.98 -3.46 114.38 104.77 2k21 h ARG 32 Ca -0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.64 2k21 h ARG 32 Cb 0.27 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2k21 h ARG 32 CO 0.02 0.35 0.54 0.50 -1.51 0.00 0.00 179.97 179.87 2k21 s ARG 33 N -2.87 4.49 0.37 0.20 6.06 -1.05 -5.07 118.95 121.08 2k21 s ARG 33 Ca -0.03 1.81 -0.25 0.00 -2.50 0.00 0.00 55.73 54.76 2k21 s ARG 33 Cb 0.09 -3.29 -0.09 0.00 0.06 0.00 0.00 34.95 31.72 2k21 s ARG 33 CO 0.81 -0.12 1.06 -1.54 -2.50 0.00 0.00 175.30 173.01 2k21 s SER 34 N 0.42 6.89 0.00 -2.12 1.04 -1.26 -4.97 113.70 113.70 2k21 s SER 34 Ca 0.54 2.10 0.14 0.00 0.48 0.00 0.00 55.95 59.21 2k21 s SER 34 Cb -0.31 -2.60 0.71 0.00 0.10 0.00 0.00 66.02 63.92 2k21 s SER 34 CO 0.33 -0.40 1.37 -0.81 0.98 0.00 0.00 173.24 174.72 2k21 n PRO 35 N 0.26 0.20 -2.20 4.02 -0.04 -1.26 -4.79 135.00 131.19 2k21 n PRO 35 Ca 0.03 0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 2k21 n PRO 35 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2k21 n PRO 35 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2k21 s ARG 36 N -2.56 4.27 -0.22 0.54 3.52 -1.26 -4.99 118.95 118.25 2k21 s ARG 36 Ca 0.13 1.99 -0.31 0.00 -0.13 0.00 0.00 55.73 57.42 2k21 s ARG 36 Cb 0.09 -3.58 0.16 0.00 -1.56 0.00 0.00 34.95 30.06 2k21 s ARG 36 CO 0.21 -0.59 1.20 -1.12 -0.81 0.00 0.00 175.30 174.19 2k21 s SER 37 N 1.95 -0.17 0.71 -2.12 0.01 -1.26 -5.17 113.70 107.64 2k21 s SER 37 Ca 0.65 0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2k21 s SER 37 Cb -0.32 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2k21 s SER 37 CO 0.27 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2k21 n GLY 38 N 0.42 0.46 2.58 3.44 0.00 -1.26 -4.28 105.19 106.55 2k21 n GLY 38 Ca -0.03 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 2k21 n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k21 n ASP 39 N -1.97 3.50 -1.64 1.61 2.03 -1.26 -4.99 116.55 113.83 2k21 n ASP 39 Ca 0.00 -3.40 -0.01 0.00 0.52 0.00 0.00 54.79 51.90 2k21 n ASP 39 Cb 0.00 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 2k21 n ASP 39 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k21 n GLY 40 N -0.26 -0.72 0.23 0.27 0.00 -1.26 -5.01 105.19 98.44 2k21 n GLY 40 Ca 0.29 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 2k21 n GLY 40 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k21 h LYS 41 N 0.19 0.80 0.00 1.61 2.10 -1.94 -3.37 116.57 115.96 2k21 h LYS 41 Ca 0.00 -0.57 -0.03 0.00 -2.00 0.00 0.00 60.65 58.05 2k21 h LYS 41 Cb 0.18 0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.60 2k21 h LYS 41 CO 0.02 1.19 -0.15 1.37 -2.00 0.00 0.00 179.45 179.88 2k21 h LEU 42 N 0.59 0.00 -1.63 7.07 8.10 -1.95 -2.89 115.31 124.60 2k21 h LEU 42 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.94 2k21 h LEU 42 Cb 1.26 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.48 2k21 h LEU 42 CO 0.14 0.15 -0.16 -0.08 -4.11 0.00 0.00 178.44 174.38 2k21 h GLU 43 N 0.00 0.00 -0.54 0.17 4.22 -1.97 -2.72 114.58 113.74 2k21 h GLU 43 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k21 h GLU 43 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2k21 h GLU 43 CO 0.02 0.16 0.00 0.00 -2.18 0.00 0.00 179.01 177.01 2k21 n ALA 44 N -2.25 2.53 -1.81 2.92 0.00 -1.09 -5.07 120.51 115.73 2k21 n ALA 44 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.47 2k21 n ALA 44 Cb 0.31 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.96 -4.21 0.22 0.00 4.32 -1.03 -4.37 117.00 112.89 2k21 n LEU 45 Ca 0.18 2.54 0.08 0.00 -0.02 0.00 0.00 56.01 58.79 2k21 n LEU 45 Cb 0.49 -2.66 0.47 0.00 -1.62 0.00 0.00 43.42 40.10 2k21 n LEU 45 CO 0.13 -0.61 0.79 0.22 -1.22 0.00 0.00 177.39 176.70 2k21 h TYR 46 N 2.99 0.00 0.00 -1.77 3.20 -1.80 -3.06 116.97 116.53 2k21 h TYR 46 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2k21 h TYR 46 Cb 0.00 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2k21 h TYR 46 CO 0.00 0.27 -0.08 0.28 -1.64 0.00 0.00 178.16 176.99 2k21 h VAL 47 N 0.00 0.20 -0.85 1.81 2.07 -1.98 0.05 116.25 117.56 2k21 h VAL 47 Ca -0.00 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.42 2k21 h VAL 47 Cb 0.67 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2k21 h VAL 47 CO 0.04 0.07 0.56 -0.07 0.02 0.00 0.00 177.57 178.18 2k21 h LEU 48 N -1.00 0.84 -0.35 2.57 4.07 -1.86 -2.69 115.31 116.88 2k21 h LEU 48 Ca -0.01 0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.83 2k21 h LEU 48 Cb 0.18 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 2k21 h LEU 48 CO -0.00 0.54 -0.28 -0.03 -1.08 0.00 0.00 178.44 177.58 2k21 h MET 49 N 0.95 0.80 -0.51 1.13 4.05 -1.60 -3.24 114.93 116.51 2k21 h MET 49 Ca 0.37 -0.40 0.10 0.00 -0.28 0.00 0.00 59.70 59.49 2k21 h MET 49 Cb 0.22 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 30.92 2k21 h MET 49 CO -0.13 1.03 -0.14 0.28 0.23 0.00 0.00 176.91 178.18 2k21 h VAL 50 N 0.59 0.47 0.01 -5.77 2.07 -0.76 0.63 116.25 113.49 2k21 h VAL 50 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2k21 h VAL 50 Cb 0.85 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 2k21 h VAL 50 CO 0.07 0.00 -0.24 0.25 0.02 0.00 0.00 177.57 177.67 2k21 h LEU 51 N -0.02 -0.70 -0.29 2.57 5.85 -1.58 3.60 115.31 124.75 2k21 h LEU 51 Ca 0.24 0.10 -0.18 0.00 0.84 0.00 0.00 57.88 58.88 2k21 h LEU 51 Cb 0.39 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2k21 h LEU 51 CO -0.53 -0.31 -0.52 1.23 -0.34 0.00 0.00 178.44 177.97 2k21 h GLY 52 N -0.38 0.95 1.32 3.75 0.00 -1.29 -2.94 103.07 104.47 2k21 h GLY 52 Ca 0.06 -1.10 -0.18 0.00 0.00 0.00 0.00 47.33 46.12 2k21 h GLY 52 CO -0.21 0.99 -0.56 -2.75 0.00 0.00 0.00 176.54 174.01 2k21 h PHE 53 N 0.65 0.90 -0.55 5.60 3.57 0.15 -3.06 116.94 124.19 2k21 h PHE 53 Ca 0.02 -0.32 0.04 0.00 3.53 0.00 0.00 57.97 61.24 2k21 h PHE 53 Cb 1.13 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 2k21 h PHE 53 CO 0.07 1.11 0.30 0.35 -2.23 0.00 0.00 178.31 177.91 2k21 h PHE 54 N 0.54 0.55 -0.13 0.41 3.57 0.67 0.49 116.94 123.05 2k21 h PHE 54 Ca 0.01 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 2k21 h PHE 54 Cb 1.14 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2k21 h PHE 54 CO 0.06 0.29 -0.39 0.78 -2.23 0.00 0.00 178.31 176.81 2k21 h GLY 55 N 0.58 0.31 0.29 2.40 0.00 -1.50 0.35 103.07 105.50 2k21 h GLY 55 Ca 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2k21 h GLY 55 CO -0.14 0.26 -0.04 -2.75 0.00 0.00 0.00 176.54 173.87 2k21 h PHE 56 N 0.24 -0.10 -0.80 5.60 3.57 -1.40 -3.32 116.94 120.72 2k21 h PHE 56 Ca 0.02 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.56 2k21 h PHE 56 Cb 0.80 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 2k21 h PHE 56 CO 0.02 0.45 0.51 0.35 -2.23 0.00 0.00 178.31 177.40 2k21 h PHE 57 N -0.82 0.95 -0.94 0.41 3.57 0.45 0.11 116.94 120.67 2k21 h PHE 57 Ca -0.01 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.60 2k21 h PHE 57 Cb 0.60 -0.31 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 2k21 h PHE 57 CO 0.13 0.54 0.61 1.15 -2.23 0.00 0.00 178.31 178.50 2k21 h THR 58 N 0.98 1.01 0.00 4.41 2.02 -0.48 -1.10 112.91 119.76 2k21 h THR 58 Ca 0.33 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 2k21 h THR 58 Cb 0.03 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 2k21 h THR 58 CO -0.12 0.18 -0.73 0.25 0.37 0.00 0.00 175.52 175.48 2k21 h LEU 59 N 1.01 0.00 -2.08 2.58 5.85 -1.64 -3.22 115.31 117.81 2k21 h LEU 59 Ca 0.43 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.19 2k21 h LEU 59 Cb 0.31 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2k21 h LEU 59 CO -0.18 0.36 0.10 1.23 -0.34 0.00 0.00 178.44 179.61 2k21 h GLY 60 N 3.72 0.00 0.44 3.75 0.00 0.47 0.13 103.07 111.58 2k21 h GLY 60 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2k21 h GLY 60 CO 0.04 0.00 -0.08 -2.22 0.00 0.00 0.00 176.54 174.28 2k21 h ILE 61 N 0.00 0.94 -0.25 2.60 2.04 -1.38 -1.23 117.51 120.23 2k21 h ILE 61 Ca 0.06 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.77 2k21 h ILE 61 Cb 0.26 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2k21 h ILE 61 CO -0.00 0.22 -0.25 -0.03 0.00 0.00 0.00 178.15 178.09 2k21 h MET 62 N -0.77 0.48 -0.35 2.37 4.05 -1.54 -1.55 114.93 117.63 2k21 h MET 62 Ca -0.02 -0.18 -0.17 0.00 -0.28 0.00 0.00 59.70 59.05 2k21 h MET 62 Cb 0.53 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 2k21 h MET 62 CO 0.04 0.70 -0.45 -0.07 0.23 0.00 0.00 176.91 177.36 2k21 h LEU 63 N 0.43 0.99 -0.31 3.39 3.38 -0.85 0.13 115.31 122.46 2k21 h LEU 63 Ca 0.06 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.58 2k21 h LEU 63 Cb 0.67 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2k21 h LEU 63 CO 0.05 1.28 0.14 -1.28 0.09 0.00 0.00 178.44 178.72 2k21 h SER 64 N 0.73 0.19 -0.02 -0.43 0.87 -1.02 -2.65 113.55 111.22 2k21 h SER 64 Ca 0.04 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.49 2k21 h SER 64 Cb 1.05 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2k21 h SER 64 CO 0.11 0.15 -0.53 0.22 -0.53 0.00 0.00 176.83 176.24 2k21 h TYR 65 N 0.30 0.57 0.08 2.24 3.20 -0.94 0.22 116.97 122.64 2k21 h TYR 65 Ca 0.13 -0.30 0.01 0.00 3.14 0.00 0.00 58.73 61.71 2k21 h TYR 65 Cb 0.07 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2k21 h TYR 65 CO -0.11 1.10 -0.29 0.82 -1.64 0.00 0.00 178.16 178.04 2k21 h ILE 66 N -0.12 0.00 0.00 1.81 2.04 -0.88 0.24 117.51 120.60 2k21 h ILE 66 Ca -0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2k21 h ILE 66 Cb 1.23 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2k21 h ILE 66 CO 0.11 0.00 -0.19 -0.09 0.00 0.00 0.00 178.15 177.98 2k21 h ARG 67 N -0.43 0.00 0.33 2.37 9.65 -1.23 0.89 114.38 125.96 2k21 h ARG 67 Ca -0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2k21 h ARG 67 Cb 0.42 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 2k21 h ARG 67 CO -0.15 0.19 -0.16 0.77 2.80 0.00 0.00 179.97 183.42 2k21 h SER 68 N 0.00 -0.37 0.66 -3.80 0.02 -0.63 -2.66 113.55 106.77 2k21 h SER 68 Ca -0.00 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 2k21 h SER 68 Cb 0.39 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2k21 h SER 68 CO 0.02 0.07 -0.47 0.50 -1.14 0.00 0.00 176.83 175.81 2k21 h LYS 69 N -0.92 0.00 -0.02 3.45 3.64 0.14 0.28 116.57 123.15 2k21 h LYS 69 Ca -0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2k21 h LYS 69 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2k21 h LYS 69 CO 0.07 0.47 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.44 2k21 h LYS 70 N 0.00 0.07 0.00 1.90 3.11 0.59 -3.36 116.57 118.89 2k21 h LYS 70 Ca -0.00 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.75 2k21 h LYS 70 Cb 0.92 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.16 2k21 h LYS 70 CO 0.06 0.67 -1.14 -0.11 -2.81 0.00 0.00 179.45 176.12 2k21 n LEU 71 N -4.72 2.48 -0.12 5.20 0.00 -1.01 -4.53 117.00 114.31 2k21 n LEU 71 Ca -0.09 -0.00 0.16 0.00 0.00 0.00 0.00 56.01 56.07 2k21 n LEU 71 Cb 0.34 -0.08 0.85 0.00 0.00 0.00 0.00 43.42 44.53 2k21 n LEU 71 CO 0.35 0.45 1.05 1.21 0.00 0.00 0.00 177.39 180.46 2k21 n GLU 72 N -2.67 1.16 -1.54 1.96 4.07 0.86 -4.74 120.64 119.74 2k21 n GLU 72 Ca -0.04 -0.23 -0.28 0.00 -0.06 0.00 0.00 57.16 56.54 2k21 n GLU 72 Cb 0.54 -1.50 -0.07 0.00 -0.06 0.00 0.00 31.44 30.35 2k21 n GLU 72 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2k21 n HIS 73 N -0.71 1.13 -4.40 4.31 -0.00 -0.36 -4.87 115.22 110.32 2k21 n HIS 73 Ca 0.23 0.10 -0.28 0.00 -0.00 0.00 0.00 57.72 57.77 2k21 n HIS 73 Cb 0.17 -2.44 -0.12 0.00 -0.00 0.00 0.00 29.99 27.60 2k21 n HIS 73 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2k21 s SER 74 N 10.50 3.47 -0.39 0.26 1.04 -1.26 -5.04 113.70 122.28 2k21 s SER 74 Ca 1.04 -0.79 -0.14 0.00 0.48 0.00 0.00 55.95 56.53 2k21 s SER 74 Cb -0.35 -0.29 0.01 0.00 0.10 0.00 0.00 66.02 65.50 2k21 s SER 74 CO 0.26 0.14 0.28 0.20 0.98 0.00 0.00 173.24 175.10 2k21 s ASN 75 N -2.44 6.09 -0.45 7.02 -0.87 -1.26 -5.09 114.94 117.93 2k21 s ASN 75 Ca 0.19 -0.78 -0.13 0.00 -1.57 0.00 0.00 52.86 50.56 2k21 s ASN 75 Cb -0.09 -2.15 0.07 0.00 -0.02 0.00 0.00 41.25 39.06 2k21 s ASN 75 CO 0.09 -0.39 0.35 -1.81 -2.57 0.00 0.00 177.10 172.76 2k21 s ASP 76 N 1.69 5.98 0.32 -1.22 1.11 -1.26 -5.01 116.67 118.27 2k21 s ASP 76 Ca 0.05 -1.36 0.17 0.00 0.18 0.00 0.00 52.55 51.59 2k21 s ASP 76 Cb -0.19 -2.12 0.94 0.00 1.07 0.00 0.00 42.92 42.63 2k21 s ASP 76 CO 0.10 -0.60 1.48 -2.65 1.18 0.00 0.00 175.17 174.68 2k21 n PRO 77 N 5.11 0.11 0.06 8.23 -0.02 -1.26 -1.38 135.00 145.85 2k21 n PRO 77 Ca -0.12 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.09 2k21 n PRO 77 Cb 0.44 -2.02 0.21 0.00 -0.02 0.00 0.00 33.50 32.10 2k21 n PRO 77 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2k21 n PHE 78 N -2.15 0.51 -0.13 6.00 3.01 -1.26 -3.58 117.46 119.86 2k21 n PHE 78 Ca -0.01 0.15 -0.26 0.00 1.01 0.00 0.00 57.45 58.34 2k21 n PHE 78 Cb 0.17 -0.63 -0.09 0.00 -0.01 0.00 0.00 39.48 38.92 2k21 n PHE 78 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2k21 n ASN 79 N -2.05 1.95 0.05 4.37 2.85 -0.48 -3.93 115.26 118.03 2k21 n ASN 79 Ca 0.04 0.35 -0.05 0.00 -0.11 0.00 0.00 54.58 54.80 2k21 n ASN 79 Cb 0.43 -0.82 0.14 0.00 1.24 0.00 0.00 39.78 40.77 2k21 n ASN 79 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2k21 h VAL 80 N -1.00 1.33 0.04 3.44 -1.51 -1.67 -3.35 116.25 113.54 2k21 h VAL 80 Ca -0.56 -1.71 -0.34 0.00 -1.23 0.00 0.00 66.70 62.86 2k21 h VAL 80 Cb 1.48 1.76 -0.04 0.00 -2.13 0.00 0.00 31.29 32.36 2k21 h VAL 80 CO -0.34 0.52 -1.94 0.00 -1.23 0.00 0.00 177.57 174.58 2k21 n TYR 81 N -3.97 0.75 -4.39 5.19 4.19 -1.24 -4.95 117.16 112.75 2k21 n TYR 81 Ca -0.02 0.23 -0.32 0.00 3.31 0.00 0.00 57.90 61.10 2k21 n TYR 81 Cb 0.55 -1.09 -0.10 0.00 0.49 0.00 0.00 39.34 39.19 2k21 n TYR 81 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 2k21 s ILE 82 N -2.48 3.72 0.89 2.97 1.01 -1.25 -5.11 121.20 120.96 2k21 s ILE 82 Ca -0.29 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 59.44 2k21 s ILE 82 Cb 0.08 -2.65 0.13 0.00 0.01 0.00 0.00 42.46 40.03 2k21 s ILE 82 CO 0.63 0.35 1.09 -1.61 0.00 0.00 0.00 174.94 175.41 2k21 s GLU 83 N -1.56 1.28 0.41 2.79 0.41 -1.26 -3.78 118.70 116.98 2k21 s GLU 83 Ca 0.18 0.89 0.28 0.00 -0.41 0.00 0.00 54.97 55.91 2k21 s GLU 83 Cb -0.11 -1.81 0.94 0.00 -1.78 0.00 0.00 34.13 31.38 2k21 s GLU 83 CO 0.09 -2.25 1.80 1.03 -0.49 0.00 0.00 175.26 175.44 2k21 h SER 84 N -1.56 0.00 0.30 -0.19 0.87 -1.88 -3.20 113.55 107.90 2k21 h SER 84 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2k21 h SER 84 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2k21 h SER 84 CO 0.53 0.00 -0.44 0.47 -0.53 0.00 0.00 176.83 176.87 2k21 n ASP 85 N -2.77 0.88 0.12 6.23 8.00 -1.26 -4.16 116.55 123.59 2k21 n ASP 85 Ca 0.03 -0.69 -0.06 0.00 0.71 0.00 0.00 54.79 54.78 2k21 n ASP 85 Cb 0.36 0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 2k21 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k21 h ALA 86 N 3.36 -0.45 -2.13 2.24 0.00 -1.94 -3.50 119.26 116.85 2k21 h ALA 86 Ca 0.00 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.02 2k21 h ALA 86 Cb 0.52 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.34 2k21 h ALA 86 CO 0.00 -0.42 0.56 -1.58 0.00 0.00 0.00 179.25 177.81 2k21 s TRP 87 N -2.75 -0.16 0.00 0.00 0.51 -1.26 -5.13 118.94 110.15 2k21 s TRP 87 Ca -0.05 -0.07 0.00 0.00 -2.12 0.00 0.00 56.10 53.86 2k21 s TRP 87 Cb 0.01 0.60 0.00 0.00 -0.81 0.00 0.00 33.47 33.26 2k21 s TRP 87 CO 0.16 -0.64 0.00 1.04 -0.51 0.00 0.00 176.95 176.99 2k21 n GLN 88 N -0.41 0.00 -2.30 4.98 1.13 -1.26 -4.83 117.38 114.69 2k21 n GLN 88 Ca -0.07 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.79 2k21 n GLN 88 Cb 0.61 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.94 2k21 n GLN 88 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2k21 n GLU 89 N 0.00 -1.63 -0.98 -1.09 1.02 -1.26 -4.90 120.64 111.80 2k21 n GLU 89 Ca 0.00 1.03 -0.21 0.00 -0.02 0.00 0.00 57.16 57.96 2k21 n GLU 89 Cb 0.00 -5.65 0.10 0.00 -0.02 0.00 0.00 31.44 25.87 2k21 n GLU 89 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k21 n LYS 90 N -2.92 2.04 -3.36 3.49 5.02 -1.26 -4.80 118.16 116.37 2k21 n LYS 90 Ca -0.24 -2.26 -0.23 0.00 -2.02 0.00 0.00 58.31 53.57 2k21 n LYS 90 Cb 0.69 -1.88 0.06 0.00 -0.02 0.00 0.00 35.03 33.87 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 -0.49 -6.16 -0.03 4.39 9.92 -1.26 -4.86 116.55 118.06 2k21 n ASP 91 Ca 0.44 -0.43 0.23 0.00 -0.53 0.00 0.00 54.79 54.50 2k21 n ASP 91 Cb 1.03 -4.85 0.72 0.00 -0.64 0.00 0.00 41.12 37.38 2k21 n ASP 91 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2k21 h LYS 92 N -2.17 0.00 -0.28 -1.24 1.57 -1.98 -0.19 116.57 112.27 2k21 h LYS 92 Ca -0.54 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.30 2k21 h LYS 92 Cb 1.36 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.61 2k21 h LYS 92 CO 0.54 0.00 -0.08 0.00 -0.57 0.00 0.00 179.45 179.34 2k21 h ALA 93 N 1.62 0.17 -0.28 3.86 0.00 -1.98 0.26 119.26 122.91 2k21 h ALA 93 Ca 0.29 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.15 2k21 h ALA 93 Cb 1.24 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2k21 h ALA 93 CO -0.00 -0.48 -0.47 1.88 0.00 0.00 0.00 179.25 180.18 2k21 h TYR 94 N -0.02 0.91 0.00 0.00 -1.99 -1.42 -3.15 116.97 111.30 2k21 h TYR 94 Ca 0.14 -0.29 -0.05 0.00 2.00 0.00 0.00 58.73 60.53 2k21 h TYR 94 Cb 0.23 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 2k21 h TYR 94 CO -0.28 1.07 -0.23 0.28 -0.00 0.00 0.00 178.16 178.99 2k21 h VAL 95 N 0.59 0.47 0.00 -2.88 2.07 -1.45 -2.70 116.25 112.36 2k21 h VAL 95 Ca 0.03 -1.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 2k21 h VAL 95 Cb 1.03 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2k21 h VAL 95 CO 0.10 0.23 -0.31 1.56 0.02 0.00 0.00 177.57 179.16 2k21 h GLN 96 N 0.00 0.00 0.14 1.57 1.08 -0.44 0.40 115.11 117.86 2k21 h GLN 96 Ca -0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 2k21 h GLN 96 Cb 0.94 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.37 2k21 h GLN 96 CO 0.03 0.31 -1.34 0.00 -0.95 0.00 0.00 178.83 176.88 2k21 h ALA 97 N 1.69 0.10 0.04 3.87 0.00 -1.47 -3.12 119.26 120.37 2k21 h ALA 97 Ca -0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 54.91 53.90 2k21 h ALA 97 Cb 0.83 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k21 h ALA 97 CO 0.04 0.97 -0.31 0.00 0.00 0.00 0.00 179.25 179.95 2k21 h ARG 98 N 0.08 0.14 -0.32 0.00 3.08 -1.33 -3.31 114.38 112.72 2k21 h ARG 98 Ca -0.17 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.62 2k21 h ARG 98 Cb 2.01 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 32.11 2k21 h ARG 98 CO 0.20 1.04 -0.02 -0.39 -1.07 0.00 0.00 179.97 179.74 2k21 h VAL 99 N -0.65 1.19 -0.98 2.04 -1.51 -1.13 -2.42 116.25 112.79 2k21 h VAL 99 Ca -0.05 -0.78 0.07 0.00 -1.23 0.00 0.00 66.70 64.71 2k21 h VAL 99 Cb 1.18 0.97 -0.07 0.00 -2.13 0.00 0.00 31.29 31.24 2k21 h VAL 99 CO 0.06 0.26 0.63 0.25 -1.23 0.00 0.00 177.57 177.54 2k21 h LEU 100 N 0.47 0.99 0.09 4.19 5.85 -1.67 1.43 115.31 126.66 2k21 h LEU 100 Ca 0.10 0.01 -0.25 0.00 0.84 0.00 0.00 57.88 58.59 2k21 h LEU 100 Cb 0.33 -0.20 0.02 0.00 0.37 0.00 0.00 40.66 41.19 2k21 h LEU 100 CO 0.01 0.63 -1.03 -0.08 -0.34 0.00 0.00 178.44 177.63 2k21 h GLU 101 N 1.13 0.53 0.00 1.25 4.81 -1.64 -3.13 114.58 117.53 2k21 h GLU 101 Ca 0.43 -0.70 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2k21 h GLU 101 Cb 0.19 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2k21 h GLU 101 CO -0.18 1.30 0.00 0.77 -0.73 0.00 0.00 179.01 180.17 2k21 h SER 102 N 0.09 0.00 0.03 1.04 0.02 -0.42 -3.11 113.55 111.20 2k21 h SER 102 Ca -0.16 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.62 2k21 h SER 102 Cb 1.73 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.29 2k21 h SER 102 CO 0.20 0.00 -0.69 1.88 -1.14 0.00 0.00 176.83 177.07 2k21 h TYR 103 N 0.00 0.63 0.00 3.45 -1.99 0.19 0.64 116.97 119.89 2k21 h TYR 103 Ca 0.00 -0.37 -0.02 0.00 2.00 0.00 0.00 58.73 60.34 2k21 h TYR 103 Cb 0.47 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.13 2k21 h TYR 103 CO 0.00 1.21 -0.09 0.87 -0.00 0.00 0.00 178.16 180.15 2k21 h LYS 104 N -0.12 0.00 0.00 4.88 1.57 -1.51 -1.11 116.57 120.28 2k21 h LYS 104 Ca -0.10 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2k21 h LYS 104 Cb 1.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.73 2k21 h LYS 104 CO 0.13 0.09 -1.45 0.43 -0.57 0.00 0.00 179.45 178.08 2k21 n SER 105 N -3.78 0.50 -0.11 0.86 7.64 -1.08 -3.82 113.62 113.82 2k21 n SER 105 Ca -0.02 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2k21 n SER 105 Cb 0.19 1.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.44 2k21 n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k21 n TYR 107 N -0.36 0.00 -3.77 0.00 4.01 -1.20 -4.94 117.16 110.90 2k21 n TYR 107 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 2k21 n TYR 107 Cb 0.05 -1.53 -0.13 0.00 -0.31 0.00 0.00 39.34 37.41 2k21 n TYR 107 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2k21 s VAL 108 N -1.72 -0.03 0.15 -0.72 1.01 -1.19 -5.08 120.40 112.82 2k21 s VAL 108 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.15 2k21 s VAL 108 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2k21 s VAL 108 CO 0.00 0.04 -0.13 0.54 0.00 0.00 0.00 175.10 175.55 2k21 s VAL 109 N 0.79 1.42 -0.07 2.92 0.11 -1.26 -4.08 120.40 120.22 2k21 s VAL 109 Ca -0.06 -1.92 -0.05 0.00 -2.93 0.00 0.00 61.98 57.02 2k21 s VAL 109 Cb -0.07 -1.74 0.02 0.00 -1.53 0.00 0.00 36.38 33.06 2k21 s VAL 109 CO -0.04 -0.53 0.10 1.21 -3.33 0.00 0.00 175.10 172.51 2k21 n GLU 110 N 0.14 -2.10 -3.82 1.54 4.07 -1.26 -5.04 120.64 114.17 2k21 n GLU 110 Ca -0.12 1.85 -0.36 0.00 -0.06 0.00 0.00 57.16 58.47 2k21 n GLU 110 Cb 0.59 -2.74 -0.10 0.00 -0.06 0.00 0.00 31.44 29.12 2k21 n GLU 110 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2k21 s ASN 111 N -0.29 5.81 -0.97 4.31 4.22 -1.26 -5.07 114.94 121.69 2k21 s ASN 111 Ca -0.11 0.07 -0.24 0.00 -2.14 0.00 0.00 52.86 50.44 2k21 s ASN 111 Cb 0.01 -2.02 0.03 0.00 1.28 0.00 0.00 41.25 40.54 2k21 s ASN 111 CO 0.30 0.11 1.53 -2.28 -2.04 0.00 0.00 177.10 174.72 2k21 s HIS 112 N 0.80 2.36 0.10 1.54 2.46 -1.26 -4.74 115.29 116.55 2k21 s HIS 112 Ca 0.06 -0.47 -0.27 0.00 0.47 0.00 0.00 55.06 54.84 2k21 s HIS 112 Cb -0.13 -4.56 -0.06 0.00 -0.13 0.00 0.00 32.58 27.70 2k21 s HIS 112 CO 0.02 -1.92 0.86 -0.51 -2.47 0.00 0.00 174.74 170.72 2k21 s LEU 113 N 6.05 4.50 -0.13 8.88 1.43 -1.26 -5.02 118.68 133.14 2k21 s LEU 113 Ca 0.50 1.66 0.19 0.00 -1.03 0.00 0.00 54.13 55.44 2k21 s LEU 113 Cb -0.02 -3.42 -0.27 0.00 0.03 0.00 0.00 46.19 42.52 2k21 s LEU 113 CO -0.06 0.02 0.25 0.00 0.23 0.00 0.00 176.35 176.79 2k21 n ALA 114 N 2.54 1.90 -0.09 4.21 0.00 -1.26 -4.51 120.51 123.30 2k21 n ALA 114 Ca -0.01 -1.04 -0.15 0.00 0.00 0.00 0.00 53.44 52.25 2k21 n ALA 114 Cb 0.49 -0.41 -0.14 0.00 0.00 0.00 0.00 19.45 19.39 2k21 n ALA 114 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k21 n ILE 115 N -2.63 1.50 -4.29 0.00 5.41 -1.26 -4.98 119.36 113.12 2k21 n ILE 115 Ca -0.23 -0.71 -0.26 0.00 1.00 0.00 0.00 62.75 62.55 2k21 n ILE 115 Cb 0.97 -1.08 -0.08 0.00 -0.71 0.00 0.00 39.64 38.74 2k21 n ILE 115 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2k21 s GLU 116 N -2.52 2.16 0.59 0.38 2.02 -1.26 -5.18 118.70 114.89 2k21 s GLU 116 Ca -0.21 -1.96 -0.13 0.00 0.02 0.00 0.00 54.97 52.68 2k21 s GLU 116 Cb 0.08 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.39 2k21 s GLU 116 CO 0.73 -0.15 1.02 1.14 0.02 0.00 0.00 175.26 178.02 2k21 s GLN 117 N -3.88 3.62 0.62 1.61 -2.07 -1.26 -4.66 119.66 113.64 2k21 s GLN 117 Ca 0.36 0.88 -0.15 0.00 -1.82 0.00 0.00 55.36 54.63 2k21 s GLN 117 Cb 0.05 -2.08 -0.02 0.00 -1.09 0.00 0.00 33.01 29.86 2k21 s GLN 117 CO 0.20 -0.55 1.07 -1.25 -1.32 0.00 0.00 175.29 173.44 2k21 s PRO 118 N -4.69 3.15 -0.23 9.60 0.04 -1.26 -4.86 135.00 136.74 2k21 s PRO 118 Ca 0.57 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 2k21 s PRO 118 Cb -0.11 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2k21 s PRO 118 CO 0.45 -0.95 0.21 0.54 0.04 0.00 0.00 177.00 177.29 2k21 s ASN 119 N -2.74 6.19 -0.88 6.66 2.20 -1.26 -5.06 114.94 120.05 2k21 s ASN 119 Ca 0.65 0.20 -0.25 0.00 -0.94 0.00 0.00 52.86 52.52 2k21 s ASN 119 Cb -0.17 -2.13 0.03 0.00 -2.00 0.00 0.00 41.25 36.98 2k21 s ASN 119 CO 0.39 0.03 1.42 0.42 -2.94 0.00 0.00 177.10 176.42 2k21 s THR 120 N 1.13 3.78 0.99 0.54 -4.23 -1.26 -4.92 115.64 111.67 2k21 s THR 120 Ca 0.10 -0.20 -0.14 0.00 -1.18 0.00 0.00 61.69 60.27 2k21 s THR 120 Cb -0.14 -4.89 0.18 0.00 1.34 0.00 0.00 72.50 68.99 2k21 s THR 120 CO 0.05 -1.81 1.14 -1.38 -0.54 0.00 0.00 174.62 172.08 2k21 s HIS 121 N 5.76 2.02 0.35 3.99 -3.43 -1.26 -5.10 115.29 117.63 2k21 s HIS 121 Ca 0.44 0.78 -0.27 0.00 -0.80 0.00 0.00 55.06 55.21 2k21 s HIS 121 Cb -0.04 -3.43 -0.09 0.00 -1.43 0.00 0.00 32.58 27.59 2k21 s HIS 121 CO 0.02 -2.77 1.16 -0.51 -2.00 0.00 0.00 174.74 170.64 2k21 s LEU 122 N -6.28 4.33 0.31 5.38 1.43 -1.26 -4.98 118.68 117.61 2k21 s LEU 122 Ca 0.66 2.35 -0.30 0.00 -1.03 0.00 0.00 54.13 55.81 2k21 s LEU 122 Cb -0.14 -3.86 -0.12 0.00 0.03 0.00 0.00 46.19 42.10 2k21 s LEU 122 CO 0.55 -0.48 1.58 -0.81 0.23 0.00 0.00 176.35 177.42 2k21 n PRO 123 N 0.50 2.70 -4.51 1.29 -0.04 -1.26 -5.03 135.00 128.64 2k21 n PRO 123 Ca 0.02 0.96 -0.28 0.00 -0.04 0.00 0.00 63.50 64.16 2k21 n PRO 123 Cb 0.46 -2.73 -0.13 0.00 -0.04 0.00 0.00 33.50 31.05 2k21 n PRO 123 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2k21 s GLU 124 N -0.77 1.45 -0.15 0.54 2.02 -1.26 -5.16 118.70 115.37 2k21 s GLU 124 Ca 0.62 -1.24 -0.01 0.00 0.02 0.00 0.00 54.97 54.37 2k21 s GLU 124 Cb -0.49 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 2k21 s GLU 124 CO 0.51 0.44 -0.13 -0.08 0.02 0.00 0.00 175.26 176.03 2k21 s THR 125 N -1.00 2.96 0.48 3.63 -1.32 -1.26 -5.14 115.64 114.00 2k21 s THR 125 Ca 0.12 -0.68 -0.22 0.00 -1.21 0.00 0.00 61.69 59.70 2k21 s THR 125 Cb -0.10 -2.26 -0.07 0.00 -1.51 0.00 0.00 72.50 68.56 2k21 s THR 125 CO 0.05 0.51 1.16 -0.54 -2.21 0.00 0.00 174.62 173.58 2k21 s LYS 126 N 0.66 3.64 0.09 7.08 1.02 -1.26 -5.03 119.74 125.94 2k21 s LYS 126 Ca -0.07 1.75 -0.31 0.00 0.02 0.00 0.00 55.97 57.36 2k21 s LYS 126 Cb -0.15 -2.30 -0.09 0.00 -0.52 0.00 0.00 37.83 34.77 2k21 s LYS 126 CO 0.02 -0.64 1.61 -1.25 -0.92 0.00 0.00 175.35 174.18 2k21 s PRO 127 N -2.85 4.21 0.56 -1.68 0.04 -1.26 -5.04 135.00 128.98 2k21 s PRO 127 Ca 0.66 2.31 -0.17 0.00 0.04 0.00 0.00 61.00 63.84 2k21 s PRO 127 Cb -0.28 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 30.72 2k21 s PRO 127 CO 0.33 -0.69 1.05 -1.54 0.04 0.00 0.00 177.00 176.19 2k21 s SER 128 N 2.07 6.01 0.00 6.66 1.04 -1.26 -5.37 113.70 122.85 2k21 s SER 128 Ca 0.72 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.99 2k21 s SER 128 Cb -0.40 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.18 2k21 s SER 128 CO 0.32 -1.01 0.25 -2.65 0.98 0.00 0.00 173.24 171.12