#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 0.00 -0.99 2.02 5.41 -1.26 -1.42 119.36 123.13 2k21 n ILE 2 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 2k21 n ILE 2 Cb 0.00 -0.64 0.27 0.00 -0.71 0.00 0.00 39.64 38.56 2k21 n ILE 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2k21 n LEU 3 N -0.98 4.04 0.02 1.39 0.00 -1.26 -4.21 117.00 116.01 2k21 n LEU 3 Ca 0.16 -3.01 -0.03 0.00 0.00 0.00 0.00 56.01 53.13 2k21 n LEU 3 Cb 0.07 -0.56 -0.10 0.00 0.00 0.00 0.00 43.42 42.84 2k21 n LEU 3 CO 0.12 0.67 -0.29 0.28 0.00 0.00 0.00 177.39 178.17 2k21 h SER 4 N 1.99 0.00 0.28 1.96 0.02 -1.68 -3.28 113.55 112.84 2k21 h SER 4 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 2k21 h SER 4 Cb 1.49 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.03 2k21 h SER 4 CO 0.25 0.74 -0.81 -1.13 -1.14 0.00 0.00 176.83 174.74 2k21 h ASN 5 N 0.00 0.51 0.02 3.07 -1.24 -1.81 -0.79 115.58 115.34 2k21 h ASN 5 Ca -0.18 -0.36 -0.19 0.00 0.71 0.00 0.00 56.30 56.28 2k21 h ASN 5 Cb 1.72 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 40.62 2k21 h ASN 5 CO 0.06 1.12 -0.68 0.74 -1.29 0.00 0.00 177.43 177.39 2k21 h THR 6 N 0.27 1.32 -0.05 -3.57 2.02 -1.82 -3.17 112.91 107.91 2k21 h THR 6 Ca -0.05 -1.96 -0.13 0.00 0.77 0.00 0.00 66.41 65.04 2k21 h THR 6 Cb 1.40 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.74 2k21 h THR 6 CO 0.14 0.61 -0.55 0.74 0.37 0.00 0.00 175.52 176.83 2k21 h THR 7 N 0.43 1.38 0.00 3.16 2.02 -1.61 -3.28 112.91 115.01 2k21 h THR 7 Ca -0.02 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.30 2k21 h THR 7 Cb 1.27 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 2k21 h THR 7 CO 0.13 0.54 0.00 0.00 0.37 0.00 0.00 175.52 176.56 2k21 n ALA 8 N -2.46 1.69 0.04 6.16 0.00 -0.31 -1.72 120.51 123.91 2k21 n ALA 8 Ca -0.02 0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 2k21 n ALA 8 Cb 0.57 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 2k21 n ALA 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k21 h VAL 9 N 0.00 1.45 0.00 0.00 2.07 -1.61 -3.48 116.25 114.68 2k21 h VAL 9 Ca 0.00 -3.20 -0.33 0.00 0.82 0.00 0.00 66.70 63.99 2k21 h VAL 9 Cb 0.36 2.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 2k21 h VAL 9 CO 0.00 0.83 1.14 0.35 0.02 0.00 0.00 177.57 179.91 2k21 n THR 10 N -3.26 0.00 0.21 2.57 -2.24 -0.70 -4.78 114.28 106.09 2k21 n THR 10 Ca -0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.86 2k21 n THR 10 Cb 0.97 -0.33 0.70 0.00 -2.10 0.00 0.00 70.33 69.58 2k21 n THR 10 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2k21 h PRO 11 N 7.80 0.00 0.02 -0.78 0.11 -1.92 -2.63 132.00 134.60 2k21 h PRO 11 Ca -0.03 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.83 2k21 h PRO 11 Cb 0.85 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.97 2k21 h PRO 11 CO 0.90 0.00 -1.02 0.35 -0.21 0.00 0.00 178.00 178.03 2k21 h PHE 12 N 0.00 0.75 -0.28 0.65 3.04 -1.99 -3.33 116.94 115.77 2k21 h PHE 12 Ca 0.00 -0.42 0.02 0.00 3.98 0.00 0.00 57.97 61.55 2k21 h PHE 12 Cb 0.03 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 2k21 h PHE 12 CO 0.00 1.25 0.19 1.25 -2.02 0.00 0.00 178.31 178.98 2k21 h LEU 13 N 0.26 0.27 -1.54 0.59 6.46 -1.83 -1.31 115.31 118.20 2k21 h LEU 13 Ca -0.11 -0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.69 2k21 h LEU 13 Cb 1.67 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 41.50 2k21 h LEU 13 CO 0.18 0.19 0.36 0.71 -0.62 0.00 0.00 178.44 179.26 2k21 h THR 14 N 0.31 1.03 -0.20 1.05 1.35 -1.69 0.48 112.91 115.25 2k21 h THR 14 Ca 0.11 -0.20 -0.21 0.00 -0.55 0.00 0.00 66.41 65.56 2k21 h THR 14 Cb 0.07 0.40 0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2k21 h THR 14 CO -0.02 0.11 -0.71 0.11 -0.25 0.00 0.00 175.52 174.75 2k21 h LYS 15 N 0.58 0.83 -0.20 4.72 1.57 -1.43 -0.80 116.57 121.84 2k21 h LYS 15 Ca 0.23 -0.63 -0.11 0.00 -1.87 0.00 0.00 60.65 58.27 2k21 h LYS 15 Cb 0.17 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2k21 h LYS 15 CO -0.06 1.24 -0.30 1.25 -0.57 0.00 0.00 179.45 181.02 2k21 h LEU 16 N 0.59 0.61 -0.97 2.94 5.85 -1.18 0.19 115.31 123.34 2k21 h LEU 16 Ca -0.03 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 2k21 h LEU 16 Cb 1.34 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2k21 h LEU 16 CO 0.15 1.01 0.26 -0.25 -0.34 0.00 0.00 178.44 179.27 2k21 h TRP 17 N 0.24 1.02 -0.18 1.25 7.01 -0.10 0.13 115.95 125.33 2k21 h TRP 17 Ca 0.02 -0.07 -0.17 0.00 2.11 0.00 0.00 58.89 60.78 2k21 h TRP 17 Cb 0.87 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 27.62 2k21 h TRP 17 CO 0.09 0.79 -0.59 0.37 -2.79 0.00 0.00 178.44 176.31 2k21 h GLN 18 N 0.99 0.59 -0.14 2.65 4.15 -1.15 -3.28 115.11 118.93 2k21 h GLN 18 Ca 0.23 -0.39 -0.11 0.00 0.77 0.00 0.00 58.65 59.15 2k21 h GLN 18 Cb 0.20 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2k21 h GLN 18 CO -0.02 1.01 -0.39 1.49 -1.93 0.00 0.00 178.83 178.99 2k21 h GLU 19 N 0.44 0.30 -0.26 1.69 4.81 0.10 -2.47 114.58 119.19 2k21 h GLU 19 Ca -0.00 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 58.93 2k21 h GLU 19 Cb 1.15 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2k21 h GLU 19 CO 0.11 0.64 -0.50 1.79 -0.73 0.00 0.00 179.01 180.33 2k21 h THR 20 N 0.25 1.30 -0.00 0.32 1.35 -0.84 1.00 112.91 116.28 2k21 h THR 20 Ca 0.03 -1.70 -0.20 0.00 -0.55 0.00 0.00 66.41 63.98 2k21 h THR 20 Cb 0.80 1.63 0.02 0.00 -1.73 0.00 0.00 68.15 68.86 2k21 h THR 20 CO 0.06 0.54 -0.77 1.62 -0.25 0.00 0.00 175.52 176.72 2k21 h VAL 21 N 0.56 1.37 -0.05 6.82 3.04 -1.61 -2.95 116.25 123.43 2k21 h VAL 21 Ca 0.02 -2.14 -0.18 0.00 -1.01 0.00 0.00 66.70 63.39 2k21 h VAL 21 Cb 1.06 2.50 0.01 0.00 -2.01 0.00 0.00 31.29 32.86 2k21 h VAL 21 CO 0.10 0.64 -0.69 1.56 -1.01 0.00 0.00 177.57 178.17 2k21 h GLN 22 N 0.10 0.56 0.14 4.17 4.20 -1.24 -3.33 115.11 119.71 2k21 h GLN 22 Ca -0.10 -0.53 -0.36 0.00 0.06 0.00 0.00 58.65 57.72 2k21 h GLN 22 Cb 1.46 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.36 2k21 h GLN 22 CO 0.15 1.16 -1.94 0.37 -0.67 0.00 0.00 178.83 177.90 2k21 h GLN 23 N 0.16 0.29 0.00 1.46 4.15 -1.04 -3.50 115.11 116.64 2k21 h GLN 23 Ca -0.07 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 58.85 2k21 h GLN 23 Cb 1.36 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.23 2k21 h GLN 23 CO 0.14 1.23 0.00 0.41 -1.93 0.00 0.00 178.83 178.68 2k21 n GLY 24 N 1.96 1.21 3.62 2.39 0.00 -1.13 -4.63 105.19 108.62 2k21 n GLY 24 Ca -0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.38 -0.34 0.34 -0.02 0.00 -1.14 -4.68 105.19 98.97 2k21 n GLY 25 Ca 0.00 0.13 0.21 0.00 0.00 0.00 0.00 46.02 46.36 2k21 n GLY 25 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k21 h ASN 26 N -1.94 0.00 0.21 1.61 -0.00 -1.92 -3.16 115.58 110.37 2k21 h ASN 26 Ca -0.60 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 55.55 2k21 h ASN 26 Cb 1.35 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.67 2k21 h ASN 26 CO 0.55 0.00 -0.59 -0.03 -0.00 0.00 0.00 177.43 177.36 2k21 h MET 27 N 0.00 0.39 -0.39 4.14 4.05 -1.99 -2.87 114.93 118.26 2k21 h MET 27 Ca 0.00 -0.26 -0.13 0.00 -0.28 0.00 0.00 59.70 59.04 2k21 h MET 27 Cb 0.15 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2k21 h MET 27 CO -0.00 0.86 -0.26 1.03 0.23 0.00 0.00 176.91 178.77 2k21 h SER 28 N 0.29 0.83 0.00 1.39 0.87 -1.95 -3.48 113.55 111.50 2k21 h SER 28 Ca -0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2k21 h SER 28 Cb 1.11 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2k21 h SER 28 CO 0.10 1.05 0.00 0.61 -0.53 0.00 0.00 176.83 178.06 2k21 n GLY 29 N -0.15 0.70 0.64 5.77 0.00 -1.08 -5.06 105.19 106.01 2k21 n GLY 29 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2k21 n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k21 n LEU 30 N 0.00 2.31 0.09 0.99 4.77 -1.25 -4.62 117.00 119.29 2k21 n LEU 30 Ca 0.00 -0.92 -0.02 0.00 -0.03 0.00 0.00 56.01 55.03 2k21 n LEU 30 Cb 0.00 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.30 2k21 n LEU 30 CO 0.00 0.41 0.64 0.00 -1.33 0.00 0.00 177.39 177.11 2k21 h ALA 31 N 3.51 1.09 0.00 -1.18 0.00 -1.82 -2.98 119.26 117.88 2k21 h ALA 31 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2k21 h ALA 31 Cb 0.73 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k21 h ALA 31 CO 0.00 0.60 -0.09 0.07 0.00 0.00 0.00 179.25 179.83 2k21 h ARG 32 N 0.22 0.00 -5.79 0.00 0.11 -1.96 -3.43 114.38 103.53 2k21 h ARG 32 Ca 0.02 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 59.43 2k21 h ARG 32 Cb 0.83 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.82 2k21 h ARG 32 CO 0.07 0.09 -0.53 1.03 0.10 0.00 0.00 179.97 180.73 2k21 s ARG 33 N -3.33 3.29 0.12 0.08 1.81 -1.13 -5.14 118.95 114.66 2k21 s ARG 33 Ca 0.05 -0.27 -0.19 0.00 -1.72 0.00 0.00 55.73 53.60 2k21 s ARG 33 Cb 0.07 -3.04 -0.07 0.00 -0.45 0.00 0.00 34.95 31.45 2k21 s ARG 33 CO 0.65 0.73 0.61 -1.12 -0.68 0.00 0.00 175.30 175.49 2k21 s SER 34 N -1.22 7.04 0.37 0.23 0.01 -1.26 -4.92 113.70 113.95 2k21 s SER 34 Ca 0.17 1.29 0.28 0.00 1.31 0.00 0.00 55.95 59.00 2k21 s SER 34 Cb -0.12 -2.37 1.19 0.00 0.21 0.00 0.00 66.02 64.93 2k21 s SER 34 CO 0.07 0.19 1.83 1.55 0.41 0.00 0.00 173.24 177.28 2k21 h PRO 35 N 4.10 0.00 -6.78 12.44 0.13 -1.98 -3.44 132.00 136.47 2k21 h PRO 35 Ca -0.49 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 2k21 h PRO 35 Cb 1.20 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.41 2k21 h PRO 35 CO 0.64 0.00 0.93 -0.98 -0.23 0.00 0.00 178.00 178.36 2k21 s ARG 36 N -3.49 4.11 0.00 0.86 1.70 -1.26 -4.91 118.95 115.97 2k21 s ARG 36 Ca 0.02 2.61 0.00 0.00 -0.47 0.00 0.00 55.73 57.89 2k21 s ARG 36 Cb 0.09 -3.03 0.00 0.00 -0.57 0.00 0.00 34.95 31.44 2k21 s ARG 36 CO 0.42 -0.68 0.00 0.43 -1.08 0.00 0.00 175.30 174.40 2k21 n SER 37 N 2.57 0.63 0.00 -2.89 7.64 -1.26 -5.14 113.62 115.16 2k21 n SER 37 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2k21 n SER 37 Cb 0.37 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2k21 n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k21 n GLY 38 N 1.29 2.14 0.09 0.23 0.00 -1.26 -5.01 105.19 102.67 2k21 n GLY 38 Ca 0.00 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.40 2k21 n GLY 38 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k21 h ASP 39 N 0.00 0.00 -4.74 1.61 5.19 -2.02 -3.49 116.42 112.98 2k21 h ASP 39 Ca 0.00 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2k21 h ASP 39 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2k21 h ASP 39 CO 0.00 0.06 -0.99 0.61 -3.12 0.00 0.00 179.24 175.80 2k21 n GLY 40 N 1.31 -5.67 1.18 2.75 0.00 -1.26 -4.94 105.19 98.55 2k21 n GLY 40 Ca 0.04 0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.28 2k21 n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k21 n LYS 41 N 1.86 2.91 0.05 1.61 0.00 -1.26 -4.00 118.16 119.33 2k21 n LYS 41 Ca -0.02 -1.92 0.07 0.00 0.00 0.00 0.00 58.31 56.44 2k21 n LYS 41 Cb 0.03 -1.72 0.33 0.00 0.00 0.00 0.00 35.03 33.67 2k21 n LYS 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2k21 n LEU 42 N 0.65 0.24 0.25 3.14 -0.00 -1.26 -2.80 117.00 117.22 2k21 n LEU 42 Ca 0.17 0.57 0.08 0.00 -0.00 0.00 0.00 56.01 56.84 2k21 n LEU 42 Cb 0.66 -0.56 0.63 0.00 -0.00 0.00 0.00 43.42 44.15 2k21 n LEU 42 CO 0.17 -0.45 1.01 -0.33 -0.00 0.00 0.00 177.39 177.78 2k21 h GLU 43 N 0.00 0.00 -0.69 1.47 5.08 -1.95 -2.10 114.58 116.39 2k21 h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k21 h GLU 43 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2k21 h GLU 43 CO 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 2k21 n ALA 44 N -2.49 2.47 -1.22 3.43 0.00 -1.12 -4.99 120.51 116.59 2k21 n ALA 44 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k21 n ALA 44 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2k21 n ALA 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k21 n LEU 45 N -0.14 -3.43 0.22 0.00 7.94 -0.79 -4.30 117.00 116.50 2k21 n LEU 45 Ca 0.00 2.25 0.11 0.00 -1.11 0.00 0.00 56.01 57.26 2k21 n LEU 45 Cb 0.17 -1.89 0.28 0.00 0.53 0.00 0.00 43.42 42.51 2k21 n LEU 45 CO 0.00 -0.04 0.79 0.10 -1.11 0.00 0.00 177.39 177.12 2k21 h TYR 46 N 1.63 0.00 0.04 1.96 -0.00 -1.93 -3.08 116.97 115.60 2k21 h TYR 46 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 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 0.11 -0.02 0.28 -0.00 0.00 0.00 178.16 178.53 2k21 h VAL 47 N 0.00 0.00 -0.06 -0.90 2.07 -1.95 -2.07 116.25 113.34 2k21 h VAL 47 Ca -0.00 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 2k21 h VAL 47 Cb 0.95 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2k21 h VAL 47 CO 0.01 0.00 -0.17 0.25 0.02 0.00 0.00 177.57 177.68 2k21 h LEU 48 N -0.95 0.08 -0.81 2.57 6.46 -1.82 0.13 115.31 120.98 2k21 h LEU 48 Ca -0.01 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.63 2k21 h LEU 48 Cb 0.04 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2k21 h LEU 48 CO 0.01 0.27 -0.30 -0.03 -0.62 0.00 0.00 178.44 177.77 2k21 h MET 49 N 0.08 0.56 -0.80 1.25 4.05 -1.67 -3.27 114.93 115.13 2k21 h MET 49 Ca 0.02 -0.24 0.14 0.00 -0.28 0.00 0.00 59.70 59.34 2k21 h MET 49 Cb 0.36 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.08 2k21 h MET 49 CO 0.02 0.79 0.53 -0.24 0.23 0.00 0.00 176.91 178.24 2k21 h VAL 50 N 0.48 0.83 0.03 -5.77 3.04 0.02 0.27 116.25 115.16 2k21 h VAL 50 Ca 0.06 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2k21 h VAL 50 Cb 0.76 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 2k21 h VAL 50 CO 0.06 0.10 -0.02 0.25 -1.01 0.00 0.00 177.57 176.95 2k21 h LEU 51 N 0.55 -0.04 -0.83 3.16 5.85 -1.58 0.94 115.31 123.36 2k21 h LEU 51 Ca 0.39 -0.51 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 2k21 h LEU 51 Cb 0.74 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2k21 h LEU 51 CO -0.15 0.51 -0.13 1.23 -0.34 0.00 0.00 178.44 179.56 2k21 h GLY 52 N -0.60 0.80 1.48 3.75 0.00 -1.46 -2.84 103.07 104.20 2k21 h GLY 52 Ca -0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 47.33 46.50 2k21 h GLY 52 CO 0.01 0.56 -0.89 -2.75 0.00 0.00 0.00 176.54 173.46 2k21 h PHE 53 N 0.67 0.69 -0.97 5.60 3.57 -0.43 -2.99 116.94 123.07 2k21 h PHE 53 Ca 0.11 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2k21 h PHE 53 Cb 0.60 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 2k21 h PHE 53 CO 0.03 1.16 0.62 0.35 -2.23 0.00 0.00 178.31 178.24 2k21 h PHE 54 N 0.29 1.25 -0.16 0.41 3.57 0.93 0.33 116.94 123.56 2k21 h PHE 54 Ca -0.07 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 2k21 h PHE 54 Cb 1.51 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 2k21 h PHE 54 CO 0.06 0.81 -0.28 0.78 -2.23 0.00 0.00 178.31 177.45 2k21 h GLY 55 N 1.33 0.32 0.11 2.40 0.00 -1.38 0.54 103.07 106.39 2k21 h GLY 55 Ca 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2k21 h GLY 55 CO -0.07 0.24 -0.08 0.74 0.00 0.00 0.00 176.54 177.36 2k21 h PHE 56 N 0.27 0.06 -0.76 5.60 0.04 -1.36 -3.37 116.94 117.41 2k21 h PHE 56 Ca 0.04 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2k21 h PHE 56 Cb 0.64 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.75 2k21 h PHE 56 CO 0.01 1.00 0.41 0.35 -0.60 0.00 0.00 178.31 179.48 2k21 h PHE 57 N -0.90 1.03 -0.23 -0.55 3.57 0.28 0.54 116.94 120.68 2k21 h PHE 57 Ca -0.01 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.50 2k21 h PHE 57 Cb 1.03 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 2k21 h PHE 57 CO 0.26 0.72 0.01 1.79 -2.23 0.00 0.00 178.31 178.86 2k21 h THR 58 N 1.06 0.85 0.00 4.41 1.35 -1.12 -1.17 112.91 118.29 2k21 h THR 58 Ca 0.27 -0.03 -0.15 0.00 -0.55 0.00 0.00 66.41 65.95 2k21 h THR 58 Cb 0.03 0.76 -0.02 0.00 -1.73 0.00 0.00 68.15 67.18 2k21 h THR 58 CO -0.04 0.02 -0.80 -0.07 -0.25 0.00 0.00 175.52 174.37 2k21 h LEU 59 N 0.09 0.00 -2.21 3.87 4.07 -1.72 -3.32 115.31 116.09 2k21 h LEU 59 Ca 0.11 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.12 2k21 h LEU 59 Cb 0.13 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2k21 h LEU 59 CO -0.17 0.68 0.17 1.23 -1.08 0.00 0.00 178.44 179.27 2k21 h GLY 60 N 3.37 0.00 0.21 0.83 0.00 0.11 0.30 103.07 107.90 2k21 h GLY 60 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2k21 h GLY 60 CO 0.08 0.00 -0.09 -2.22 0.00 0.00 0.00 176.54 174.31 2k21 h ILE 61 N 0.00 0.14 -0.83 2.60 2.04 -1.36 -2.07 117.51 118.04 2k21 h ILE 61 Ca 0.08 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.11 2k21 h ILE 61 Cb 0.42 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 2k21 h ILE 61 CO -0.00 0.04 0.54 0.24 0.00 0.00 0.00 178.15 178.97 2k21 h MET 62 N -1.05 0.93 -0.36 2.37 2.86 -1.51 0.17 114.93 118.34 2k21 h MET 62 Ca -0.03 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 2k21 h MET 62 Cb 0.27 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2k21 h MET 62 CO 0.04 0.62 -0.26 -0.07 1.06 0.00 0.00 176.91 178.31 2k21 h LEU 63 N 0.96 0.76 -0.29 1.22 3.38 -0.54 0.73 115.31 121.52 2k21 h LEU 63 Ca 0.34 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2k21 h LEU 63 Cb 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k21 h LEU 63 CO -0.11 0.98 0.06 -1.28 0.09 0.00 0.00 178.44 178.18 2k21 h SER 64 N 0.64 0.46 1.20 -0.43 0.87 -0.89 -2.86 113.55 112.55 2k21 h SER 64 Ca 0.08 -0.25 -0.12 0.00 -1.23 0.00 0.00 61.79 60.27 2k21 h SER 64 Cb 0.77 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 2k21 h SER 64 CO 0.06 0.59 -0.84 0.22 -0.53 0.00 0.00 176.83 176.33 2k21 h TYR 65 N 0.31 0.00 0.21 2.24 3.20 0.21 0.14 116.97 123.28 2k21 h TYR 65 Ca 0.09 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2k21 h TYR 65 Cb 0.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 2k21 h TYR 65 CO 0.02 0.51 -0.10 0.82 -1.64 0.00 0.00 178.16 177.77 2k21 h ILE 66 N 0.00 0.00 0.00 1.81 2.04 0.29 -3.17 117.51 118.48 2k21 h ILE 66 Ca -0.06 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2k21 h ILE 66 Cb 1.44 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2k21 h ILE 66 CO 0.06 0.00 -0.10 0.03 0.00 0.00 0.00 178.15 178.14 2k21 h ARG 67 N -0.36 0.00 -0.14 2.37 3.08 -1.25 0.38 114.38 118.47 2k21 h ARG 67 Ca -0.03 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 2k21 h ARG 67 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2k21 h ARG 67 CO 0.05 0.10 -0.11 0.66 -1.07 0.00 0.00 179.97 179.60 2k21 h SER 68 N 0.00 0.34 0.04 7.04 4.64 -0.89 -2.91 113.55 121.80 2k21 h SER 68 Ca -0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2k21 h SER 68 Cb 0.34 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2k21 h SER 68 CO 0.01 0.72 -0.47 1.17 -0.87 0.00 0.00 176.83 177.39 2k21 n LYS 69 N -4.61 1.05 -0.01 4.77 4.81 0.60 -0.80 118.16 123.98 2k21 n LYS 69 Ca -0.06 -0.83 -0.20 0.00 -0.87 0.00 0.00 58.31 56.34 2k21 n LYS 69 Cb 0.33 -1.48 -0.14 0.00 0.02 0.00 0.00 35.03 33.76 2k21 n LYS 69 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2k21 n LYS 70 N -0.24 0.74 0.00 1.64 4.81 0.10 -4.41 118.16 120.80 2k21 n LYS 70 Ca 0.09 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 2k21 n LYS 70 Cb 0.44 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.80 2k21 n LYS 70 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k21 n LEU 71 N -3.42 0.94 -0.86 3.14 7.99 -1.11 -4.65 117.00 119.03 2k21 n LEU 71 Ca -0.33 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 55.79 2k21 n LEU 71 Cb 1.04 0.00 0.28 0.00 -0.11 0.00 0.00 43.42 44.63 2k21 n LEU 71 CO 0.41 0.16 0.73 1.21 -1.51 0.00 0.00 177.39 178.38 2k21 n GLU 72 N -1.93 2.14 -1.55 3.23 4.07 -0.36 -4.87 120.64 121.37 2k21 n GLU 72 Ca 0.00 -1.70 -0.26 0.00 -0.06 0.00 0.00 57.16 55.14 2k21 n GLU 72 Cb 0.40 -1.46 -0.07 0.00 -0.06 0.00 0.00 31.44 30.24 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 0.96 1.13 -4.29 4.31 -0.00 0.02 -4.84 115.22 112.51 2k21 n HIS 73 Ca 0.17 0.08 -0.24 0.00 -0.00 0.00 0.00 57.72 57.73 2k21 n HIS 73 Cb 0.49 -2.43 -0.08 0.00 -0.00 0.00 0.00 29.99 27.98 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 10.41 4.49 -0.43 0.26 1.04 -1.26 -5.02 113.70 123.18 2k21 s SER 74 Ca 1.02 -0.62 -0.17 0.00 0.48 0.00 0.00 55.95 56.66 2k21 s SER 74 Cb -0.31 -0.82 0.03 0.00 0.10 0.00 0.00 66.02 65.02 2k21 s SER 74 CO 0.24 0.03 0.43 0.21 0.98 0.00 0.00 173.24 175.12 2k21 s ASN 75 N -3.47 6.18 -0.58 7.02 3.04 -1.26 -5.06 114.94 120.81 2k21 s ASN 75 Ca 0.30 -0.82 -0.05 0.00 0.04 0.00 0.00 52.86 52.33 2k21 s ASN 75 Cb -0.07 -2.21 0.15 0.00 -1.54 0.00 0.00 41.25 37.58 2k21 s ASN 75 CO 0.19 -0.60 0.41 -0.62 -3.04 0.00 0.00 177.10 173.45 2k21 s ASP 76 N 1.97 5.45 0.55 -4.21 -1.08 -1.26 -5.02 116.67 113.07 2k21 s ASP 76 Ca 0.10 -2.55 0.26 0.00 -0.52 0.00 0.00 52.55 49.84 2k21 s ASP 76 Cb -0.18 -1.91 1.44 0.00 -1.46 0.00 0.00 42.92 40.81 2k21 s ASP 76 CO 0.12 -0.47 1.79 -0.65 0.52 0.00 0.00 175.17 176.48 2k21 h PRO 77 N 7.49 0.00 0.00 4.34 0.11 -1.98 -1.54 132.00 140.42 2k21 h PRO 77 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2k21 h PRO 77 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2k21 h PRO 77 CO 0.73 0.00 0.00 0.74 -0.21 0.00 0.00 178.00 179.26 2k21 h PHE 78 N 0.00 0.00 0.00 0.65 0.04 -1.95 -2.64 116.94 113.04 2k21 h PHE 78 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k21 h PHE 78 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2k21 h PHE 78 CO 0.00 0.00 -0.94 0.09 -0.60 0.00 0.00 178.31 176.86 2k21 n ASN 79 N -3.09 4.69 0.02 2.17 5.03 -0.86 -4.35 115.26 118.87 2k21 n ASN 79 Ca 0.03 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.29 2k21 n ASN 79 Cb 0.44 0.76 -0.12 0.00 -1.02 0.00 0.00 39.78 39.84 2k21 n ASN 79 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2k21 h VAL 80 N 0.00 1.43 0.00 2.41 2.07 -1.39 -3.38 116.25 117.39 2k21 h VAL 80 Ca 0.00 -2.18 -0.14 0.00 0.82 0.00 0.00 66.70 65.20 2k21 h VAL 80 Cb 0.35 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 2k21 h VAL 80 CO 0.00 0.64 -1.15 0.22 0.02 0.00 0.00 177.57 177.30 2k21 h TYR 81 N -0.10 0.00 -4.50 1.57 3.20 -1.71 -3.45 116.97 111.98 2k21 h TYR 81 Ca -0.09 0.00 -0.70 0.00 3.14 0.00 0.00 58.73 61.08 2k21 h TYR 81 Cb 1.42 0.00 -0.30 0.00 1.54 0.00 0.00 36.73 39.39 2k21 h TYR 81 CO 0.15 0.51 -0.89 0.42 -1.64 0.00 0.00 178.16 176.72 2k21 s ILE 82 N -2.97 2.05 0.73 1.81 1.01 -1.26 -5.09 121.20 117.49 2k21 s ILE 82 Ca -0.01 -1.10 -0.14 0.00 0.00 0.00 0.00 60.65 59.39 2k21 s ILE 82 Cb 0.08 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.88 2k21 s ILE 82 CO 0.79 0.58 1.17 -1.61 0.00 0.00 0.00 174.94 175.87 2k21 s GLU 83 N -0.53 2.24 0.53 2.79 0.41 -1.26 -4.10 118.70 118.78 2k21 s GLU 83 Ca 0.08 1.62 0.29 0.00 -0.41 0.00 0.00 54.97 56.54 2k21 s GLU 83 Cb -0.11 -1.86 1.49 0.00 -1.78 0.00 0.00 34.13 31.87 2k21 s GLU 83 CO -0.00 -1.73 2.07 1.03 -0.49 0.00 0.00 175.26 176.14 2k21 h SER 84 N -0.36 0.00 0.93 -0.19 0.87 -1.94 -3.19 113.55 109.67 2k21 h SER 84 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 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 0.50 0.10 -0.20 0.47 -0.53 0.00 0.00 176.83 177.17 2k21 n ASP 85 N -3.50 0.35 0.17 6.23 8.00 -1.26 -3.79 116.55 122.75 2k21 n ASP 85 Ca -0.01 0.27 0.02 0.00 0.71 0.00 0.00 54.79 55.78 2k21 n ASP 85 Cb 0.25 -0.28 0.34 0.00 -0.02 0.00 0.00 41.12 41.41 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 2.86 1.35 0.00 2.24 0.00 -1.93 -3.47 119.26 120.31 2k21 h ALA 86 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k21 h ALA 86 Cb 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k21 h ALA 86 CO 0.00 0.49 0.00 1.87 0.00 0.00 0.00 179.25 181.61 2k21 n TRP 87 N -4.08 0.00 -1.44 0.00 -0.00 -1.25 -4.96 117.44 105.71 2k21 n TRP 87 Ca -0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.07 2k21 n TRP 87 Cb 0.42 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.74 2k21 n TRP 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2k21 n GLN 88 N 0.00 0.53 -3.04 5.87 -0.00 -1.26 -4.15 117.38 115.32 2k21 n GLN 88 Ca 0.00 0.19 -0.13 0.00 -0.00 0.00 0.00 57.00 57.06 2k21 n GLN 88 Cb 0.00 -1.50 0.01 0.00 -0.00 0.00 0.00 30.24 28.75 2k21 n GLN 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2k21 n GLU 89 N 0.57 -2.21 -0.07 2.61 4.71 -1.26 -4.92 120.64 120.06 2k21 n GLU 89 Ca 0.11 1.90 0.04 0.00 -0.01 0.00 0.00 57.16 59.20 2k21 n GLU 89 Cb 0.41 -3.99 0.14 0.00 -1.01 0.00 0.00 31.44 26.99 2k21 n GLU 89 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2k21 n LYS 90 N 0.19 1.33 -2.94 3.49 5.02 -1.26 -4.93 118.16 119.06 2k21 n LYS 90 Ca 0.02 -0.52 -0.22 0.00 -2.02 0.00 0.00 58.31 55.58 2k21 n LYS 90 Cb 0.42 -1.15 0.02 0.00 -0.02 0.00 0.00 35.03 34.30 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 -0.11 -5.82 -0.31 4.39 9.92 -1.26 -4.78 116.55 118.58 2k21 n ASP 91 Ca 0.07 -0.24 0.22 0.00 -0.53 0.00 0.00 54.79 54.30 2k21 n ASP 91 Cb 0.13 -4.73 0.50 0.00 -0.64 0.00 0.00 41.12 36.38 2k21 n ASP 91 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2k21 h LYS 92 N -1.10 0.40 -0.12 -1.24 2.10 -1.98 1.06 116.57 115.70 2k21 h LYS 92 Ca -0.51 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 57.92 2k21 h LYS 92 Cb 1.36 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2k21 h LYS 92 CO 0.56 0.27 -0.74 0.00 -2.00 0.00 0.00 179.45 177.54 2k21 h ALA 93 N 1.62 0.49 0.16 0.07 0.00 -2.01 -1.10 119.26 118.49 2k21 h ALA 93 Ca 0.57 -0.60 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2k21 h ALA 93 Cb 1.42 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.19 2k21 h ALA 93 CO -0.28 0.73 -0.99 1.88 0.00 0.00 0.00 179.25 180.59 2k21 h TYR 94 N 0.39 0.63 -0.81 0.00 -1.99 -1.02 -3.16 116.97 111.00 2k21 h TYR 94 Ca -0.04 -0.46 0.14 0.00 2.00 0.00 0.00 58.73 60.38 2k21 h TYR 94 Cb 1.33 -0.03 -0.09 0.00 2.00 0.00 0.00 36.73 39.94 2k21 h TYR 94 CO 0.06 1.38 0.39 0.28 -0.00 0.00 0.00 178.16 180.27 2k21 h VAL 95 N -0.27 0.71 -0.24 -2.88 2.07 0.12 0.86 116.25 116.62 2k21 h VAL 95 Ca -0.18 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 2k21 h VAL 95 Cb 1.76 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2k21 h VAL 95 CO 0.17 0.10 0.00 1.56 0.02 0.00 0.00 177.57 179.43 2k21 h GLN 96 N 0.57 0.43 -0.02 1.57 1.08 -1.30 2.31 115.11 119.75 2k21 h GLN 96 Ca 0.44 -0.13 -0.19 0.00 -1.45 0.00 0.00 58.65 57.32 2k21 h GLN 96 Cb 0.63 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 2k21 h GLN 96 CO -0.37 0.60 -0.83 0.00 -0.95 0.00 0.00 178.83 177.28 2k21 h ALA 97 N 0.81 0.56 0.21 3.87 0.00 -1.02 -3.27 119.26 120.43 2k21 h ALA 97 Ca 0.07 -0.68 -0.32 0.00 0.00 0.00 0.00 54.91 53.98 2k21 h ALA 97 Cb 0.40 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.15 2k21 h ALA 97 CO 0.01 0.86 -1.43 -0.09 0.00 0.00 0.00 179.25 178.60 2k21 h ARG 98 N 0.15 0.45 -0.37 0.00 2.43 0.11 -3.18 114.38 113.98 2k21 h ARG 98 Ca -0.04 -0.77 0.08 0.00 -0.81 0.00 0.00 59.98 58.43 2k21 h ARG 98 Cb 1.43 0.29 -0.09 0.00 -0.42 0.00 0.00 29.97 31.18 2k21 h ARG 98 CO 0.13 1.37 -0.29 0.28 -1.51 0.00 0.00 179.97 179.95 2k21 h VAL 99 N 0.12 0.28 -0.32 0.20 2.07 0.38 1.58 116.25 120.57 2k21 h VAL 99 Ca -0.23 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2k21 h VAL 99 Cb 2.11 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2k21 h VAL 99 CO 0.25 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.80 2k21 h LEU 100 N -0.24 0.44 0.20 2.57 -0.00 -1.65 0.93 115.31 117.56 2k21 h LEU 100 Ca 0.17 -0.07 -0.32 0.00 -0.00 0.00 0.00 57.88 57.66 2k21 h LEU 100 Cb 0.51 -0.11 0.02 0.00 -0.00 0.00 0.00 40.66 41.08 2k21 h LEU 100 CO -0.50 0.48 -1.51 -0.08 -0.00 0.00 0.00 178.44 176.83 2k21 h GLU 101 N 0.46 0.42 -0.01 1.13 4.57 -1.30 -3.21 114.58 116.64 2k21 h GLU 101 Ca 0.10 -0.72 -0.22 0.00 -1.18 0.00 0.00 59.36 57.34 2k21 h GLU 101 Cb 0.26 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2k21 h GLU 101 CO 0.00 1.34 -0.92 0.66 -1.18 0.00 0.00 179.01 178.92 2k21 h SER 102 N 0.01 0.58 -0.46 1.04 4.64 0.37 -2.17 113.55 117.56 2k21 h SER 102 Ca -0.29 -0.45 0.03 0.00 -0.47 0.00 0.00 61.79 60.62 2k21 h SER 102 Cb 2.03 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.91 2k21 h SER 102 CO 0.20 1.24 0.24 0.22 -0.87 0.00 0.00 176.83 177.86 2k21 h TYR 103 N 0.26 0.44 -0.16 4.77 3.20 0.71 0.30 116.97 126.49 2k21 h TYR 103 Ca -0.08 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.71 2k21 h TYR 103 Cb 1.55 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 2k21 h TYR 103 CO 0.06 0.23 -0.35 0.87 -1.64 0.00 0.00 178.16 177.34 2k21 h LYS 104 N 0.48 0.34 -0.00 1.82 1.57 -1.55 -3.23 116.57 116.00 2k21 h LYS 104 Ca 0.20 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2k21 h LYS 104 Cb 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2k21 h LYS 104 CO -0.13 0.65 -0.11 -1.13 -0.57 0.00 0.00 179.45 178.16 2k21 n SER 105 N -4.07 0.48 0.22 0.86 3.41 -0.82 -3.76 113.62 109.94 2k21 n SER 105 Ca -0.01 -0.58 0.15 0.00 -0.26 0.00 0.00 58.87 58.16 2k21 n SER 105 Cb 0.45 -0.07 0.49 0.00 -0.26 0.00 0.00 64.21 64.82 2k21 n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k21 h TYR 107 N 0.00 -0.07 -2.99 0.00 0.05 -1.75 -3.41 116.97 108.80 2k21 h TYR 107 Ca 0.00 0.03 -0.67 0.00 0.05 0.00 0.00 58.73 58.13 2k21 h TYR 107 Cb 0.63 0.08 -0.11 0.00 1.01 0.00 0.00 36.73 38.35 2k21 h TYR 107 CO 0.00 -0.09 -0.55 0.54 -1.05 0.00 0.00 178.16 177.01 2k21 s VAL 108 N -6.19 4.91 -0.22 -2.88 0.11 -1.19 -4.57 120.40 110.37 2k21 s VAL 108 Ca -0.13 -0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 58.74 2k21 s VAL 108 Cb 0.13 -3.13 -0.05 0.00 -1.53 0.00 0.00 36.38 31.80 2k21 s VAL 108 CO 0.70 0.57 0.14 -0.69 -3.33 0.00 0.00 175.10 172.49 2k21 s VAL 109 N -1.00 5.39 0.38 2.04 1.01 -1.26 -4.93 120.40 122.03 2k21 s VAL 109 Ca 0.16 0.19 0.30 0.00 0.00 0.00 0.00 61.98 62.62 2k21 s VAL 109 Cb -0.12 -3.48 0.46 0.00 0.00 0.00 0.00 36.38 33.24 2k21 s VAL 109 CO 0.05 0.40 1.26 1.21 0.00 0.00 0.00 175.10 178.02 2k21 n GLU 110 N 3.84 -0.02 -4.08 2.72 4.07 -1.26 -4.38 120.64 121.52 2k21 n GLU 110 Ca -0.16 0.98 -0.29 0.00 -0.06 0.00 0.00 57.16 57.63 2k21 n GLU 110 Cb 0.52 -2.00 -0.07 0.00 -0.06 0.00 0.00 31.44 29.83 2k21 n GLU 110 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2k21 s ASN 111 N -4.21 5.38 -0.69 4.31 -0.87 -1.26 -5.00 114.94 112.59 2k21 s ASN 111 Ca -0.05 -0.09 -0.22 0.00 -1.57 0.00 0.00 52.86 50.93 2k21 s ASN 111 Cb 0.24 -1.39 0.08 0.00 -0.02 0.00 0.00 41.25 40.16 2k21 s ASN 111 CO 0.68 0.15 0.97 -1.00 -2.57 0.00 0.00 177.10 175.33 2k21 s HIS 112 N -1.46 2.73 0.49 2.20 3.76 -1.26 -5.04 115.29 116.71 2k21 s HIS 112 Ca 0.29 -0.66 -0.21 0.00 -0.15 0.00 0.00 55.06 54.32 2k21 s HIS 112 Cb -0.11 -4.28 -0.07 0.00 1.11 0.00 0.00 32.58 29.22 2k21 s HIS 112 CO 0.21 -1.62 1.12 -0.51 -0.85 0.00 0.00 174.74 173.10 2k21 s LEU 113 N 3.87 3.90 0.05 0.89 1.02 -1.26 -5.03 118.68 122.11 2k21 s LEU 113 Ca 0.23 2.18 0.12 0.00 0.02 0.00 0.00 54.13 56.68 2k21 s LEU 113 Cb -0.16 -4.41 -0.18 0.00 0.02 0.00 0.00 46.19 41.46 2k21 s LEU 113 CO 0.08 -0.98 0.93 0.00 0.02 0.00 0.00 176.35 176.41 2k21 h ALA 114 N 1.69 0.63 -0.05 4.21 0.00 -1.98 -3.39 119.26 120.38 2k21 h ALA 114 Ca -0.50 -1.11 -0.18 0.00 0.00 0.00 0.00 54.91 53.12 2k21 h ALA 114 Cb 1.25 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.27 2k21 h ALA 114 CO 0.59 1.28 -0.69 0.97 0.00 0.00 0.00 179.25 181.40 2k21 h ILE 115 N 0.00 1.36 -2.28 0.00 2.10 -2.02 -3.45 117.51 113.21 2k21 h ILE 115 Ca -0.16 -2.03 -0.49 0.00 1.08 0.00 0.00 64.86 63.26 2k21 h ILE 115 Cb 1.81 2.36 -0.03 0.00 -1.09 0.00 0.00 36.82 39.88 2k21 h ILE 115 CO 0.09 0.61 -0.47 -1.61 -1.08 0.00 0.00 178.15 175.69 2k21 s GLU 116 N -3.43 3.27 0.17 2.19 2.02 -1.26 -5.16 118.70 116.50 2k21 s GLU 116 Ca -0.12 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.09 2k21 s GLU 116 Cb 0.05 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 2k21 s GLU 116 CO 0.85 0.44 0.26 -0.65 0.02 0.00 0.00 175.26 176.19 2k21 s GLN 117 N -3.78 3.32 0.29 1.61 -0.21 -1.26 -4.51 119.66 115.12 2k21 s GLN 117 Ca 0.34 -0.68 -0.29 0.00 0.02 0.00 0.00 55.36 54.74 2k21 s GLN 117 Cb -0.09 -2.88 -0.10 0.00 1.00 0.00 0.00 33.01 30.94 2k21 s GLN 117 CO 0.28 0.50 1.32 -1.25 -2.12 0.00 0.00 175.29 174.02 2k21 s PRO 118 N -3.32 4.36 0.01 2.91 0.04 -1.26 -5.03 135.00 132.71 2k21 s PRO 118 Ca 0.34 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.57 2k21 s PRO 118 Cb -0.11 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2k21 s PRO 118 CO 0.27 -0.23 0.02 1.21 0.04 0.00 0.00 177.00 178.31 2k21 s ASN 119 N -0.17 5.23 -0.22 6.66 2.47 -1.26 -5.12 114.94 122.54 2k21 s ASN 119 Ca 0.52 0.01 -0.29 0.00 0.42 0.00 0.00 52.86 53.52 2k21 s ASN 119 Cb -0.39 -1.39 0.01 0.00 -1.45 0.00 0.00 41.25 38.03 2k21 s ASN 119 CO 0.47 0.27 1.04 0.42 -3.72 0.00 0.00 177.10 175.58 2k21 s THR 120 N -1.13 4.69 0.07 -5.21 -4.23 -1.26 -4.77 115.64 103.79 2k21 s THR 120 Ca 0.21 2.03 0.07 0.00 -1.18 0.00 0.00 61.69 62.81 2k21 s THR 120 Cb -0.12 -4.31 -0.03 0.00 1.34 0.00 0.00 72.50 69.39 2k21 s THR 120 CO 0.12 -0.16 -0.18 -2.28 -0.54 0.00 0.00 174.62 171.58 2k21 s HIS 121 N 3.08 1.58 0.66 3.99 2.46 -1.26 -4.99 115.29 120.81 2k21 s HIS 121 Ca 0.45 -0.40 -0.15 0.00 0.47 0.00 0.00 55.06 55.43 2k21 s HIS 121 Cb -0.15 -0.91 -0.00 0.00 -0.13 0.00 0.00 32.58 31.39 2k21 s HIS 121 CO 0.07 0.11 1.10 -0.51 -2.47 0.00 0.00 174.74 173.04 2k21 s LEU 122 N -1.50 3.36 0.16 8.88 1.02 -1.26 -4.95 118.68 124.39 2k21 s LEU 122 Ca 0.04 1.94 -0.31 0.00 0.02 0.00 0.00 54.13 55.82 2k21 s LEU 122 Cb -0.09 -4.54 -0.11 0.00 0.02 0.00 0.00 46.19 41.47 2k21 s LEU 122 CO 0.03 -1.59 1.69 -2.16 0.02 0.00 0.00 176.35 174.33 2k21 s PRO 123 N -4.20 4.16 0.13 1.29 0.04 -1.26 -5.02 135.00 130.14 2k21 s PRO 123 Ca 0.66 2.50 0.06 0.00 0.04 0.00 0.00 61.00 64.25 2k21 s PRO 123 Cb -0.19 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 2k21 s PRO 123 CO 0.43 -0.73 0.02 -2.00 0.04 0.00 0.00 177.00 174.76 2k21 s GLU 124 N 1.72 2.55 0.03 4.56 2.12 -1.26 -5.16 118.70 123.25 2k21 s GLU 124 Ca 0.75 -0.94 0.04 0.00 0.36 0.00 0.00 54.97 55.18 2k21 s GLU 124 Cb -0.46 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 2k21 s GLU 124 CO 0.33 0.50 -0.06 0.95 -0.54 0.00 0.00 175.26 176.44 2k21 s THR 125 N -1.52 3.66 0.29 -1.70 -4.23 -1.26 -5.16 115.64 105.72 2k21 s THR 125 Ca 0.27 -0.86 -0.09 0.00 -1.18 0.00 0.00 61.69 59.83 2k21 s THR 125 Cb -0.11 -2.62 -0.07 0.00 1.34 0.00 0.00 72.50 71.05 2k21 s THR 125 CO 0.19 0.33 0.61 -1.59 -0.54 0.00 0.00 174.62 173.61 2k21 s LYS 126 N -1.62 3.76 1.00 3.99 0.00 -1.26 -5.08 119.74 120.52 2k21 s LYS 126 Ca 0.19 0.26 -0.11 0.00 0.00 0.00 0.00 55.97 56.30 2k21 s LYS 126 Cb -0.11 -2.58 0.19 0.00 0.00 0.00 0.00 37.83 35.33 2k21 s LYS 126 CO 0.10 0.20 1.09 -1.25 0.00 0.00 0.00 175.35 175.49 2k21 s PRO 127 N -3.26 0.41 0.78 1.78 0.04 -1.26 -5.04 135.00 128.45 2k21 s PRO 127 Ca 0.48 1.11 -0.14 0.00 0.04 0.00 0.00 61.00 62.49 2k21 s PRO 127 Cb -0.11 -1.69 0.07 0.00 0.04 0.00 0.00 34.50 32.81 2k21 s PRO 127 CO 0.26 -2.91 1.21 0.45 0.04 0.00 0.00 177.00 176.05 2k21 s SER 128 N -2.82 3.75 0.00 6.66 0.15 -1.26 -5.22 113.70 114.96 2k21 s SER 128 Ca 0.66 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.70 2k21 s SER 128 Cb -0.22 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 2k21 s SER 128 CO 0.60 -2.56 0.23 -2.65 1.20 0.00 0.00 173.24 170.05