#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qmd s ASP 2 N 0.00 5.78 -0.11 -0.99 -1.08 -1.26 -4.85 116.67 114.16 1qmd s ASP 2 Ca 0.00 1.08 -0.33 0.00 -0.52 0.00 0.00 52.55 52.78 1qmd s ASP 2 Cb 0.00 -2.06 0.13 0.00 -1.46 0.00 0.00 42.92 39.54 1qmd s ASP 2 CO 0.00 -1.06 1.24 -0.83 0.52 0.00 0.00 175.17 175.04 1qmd s GLY 3 N -4.27 -0.34 0.14 2.66 0.00 -1.26 -1.54 107.32 102.70 1qmd s GLY 3 Ca 0.55 1.21 0.09 0.00 0.00 0.00 0.00 44.72 46.57 1qmd s GLY 3 CO 0.50 0.36 -0.22 0.54 0.00 0.00 0.00 173.10 174.28 1qmd s LYS 4 N -2.43 1.27 0.63 2.90 -0.14 0.61 -4.96 119.74 117.62 1qmd s LYS 4 Ca 0.11 -1.32 0.33 0.00 -1.36 0.00 0.00 55.97 53.74 1qmd s LYS 4 Cb 0.01 -1.52 1.86 0.00 -1.68 0.00 0.00 37.83 36.50 1qmd s LYS 4 CO -0.04 0.34 2.13 0.97 -0.76 0.00 0.00 175.35 177.98 1qmd h ILE 5 N 3.68 0.23 -0.25 2.17 2.10 -1.87 -2.31 117.51 121.25 1qmd h ILE 5 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.48 1qmd h ILE 5 Cb 1.19 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 1qmd h ILE 5 CO 0.44 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.61 1qmd n ASP 6 N -3.38 3.03 -0.34 2.19 5.75 -1.26 -4.84 116.55 117.70 1qmd n ASP 6 Ca -0.00 -2.40 -0.04 0.00 -0.01 0.00 0.00 54.79 52.34 1qmd n ASP 6 Cb 0.27 -0.58 -0.01 0.00 -1.03 0.00 0.00 41.12 39.78 1qmd n ASP 6 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qmd n GLY 7 N 0.28 0.53 3.59 6.12 0.00 -0.87 -4.86 105.19 109.98 1qmd n GLY 7 Ca 0.12 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 1qmd n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qmd s THR 8 N -2.16 1.93 0.00 2.61 -4.23 -1.24 -4.59 115.64 107.97 1qmd s THR 8 Ca 0.00 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1qmd s THR 8 Cb 0.00 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1qmd s THR 8 CO 0.00 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1qmd n GLY 9 N -0.91 -2.12 0.27 3.99 0.00 -1.26 -0.28 105.19 104.88 1qmd n GLY 9 Ca -0.05 -2.18 0.05 0.00 0.00 0.00 0.00 46.02 43.85 1qmd n GLY 9 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qmd h THR 10 N 0.00 0.57 -0.58 2.61 2.02 -1.84 -1.86 112.91 113.83 1qmd h THR 10 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1qmd h THR 10 Cb 0.00 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 1qmd h THR 10 CO 0.00 0.06 0.36 0.45 0.37 0.00 0.00 175.52 176.76 1qmd h HIS 11 N 0.32 0.75 -0.64 3.16 -0.00 -1.57 -2.00 115.15 115.17 1qmd h HIS 11 Ca 0.41 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.76 1qmd h HIS 11 Cb 0.66 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.80 1qmd h HIS 11 CO -0.23 0.50 0.32 0.00 -0.00 0.00 0.00 177.93 178.52 1qmd h ALA 12 N 1.19 0.83 -0.96 2.45 0.00 -1.61 -2.51 119.26 118.65 1qmd h ALA 12 Ca 0.21 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1qmd h ALA 12 Cb -0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 1qmd h ALA 12 CO -0.04 0.38 0.64 1.98 0.00 0.00 0.00 179.25 182.20 1qmd h MET 13 N 0.88 1.23 -0.15 0.00 4.05 -1.02 -1.08 114.93 118.85 1qmd h MET 13 Ca 0.22 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1qmd h MET 13 Cb 0.10 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 1qmd h MET 13 CO -0.03 0.81 0.07 0.82 0.23 0.00 0.00 176.91 178.82 1qmd h ILE 14 N 1.26 1.12 -0.04 1.77 2.04 -0.93 0.05 117.51 122.78 1qmd h ILE 14 Ca 0.37 -0.33 -0.16 0.00 1.00 0.00 0.00 64.86 65.73 1qmd h ILE 14 Cb -0.08 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1qmd h ILE 14 CO -0.09 0.11 -0.69 -0.37 0.00 0.00 0.00 178.15 177.10 1qmd h VAL 15 N 0.12 1.42 -0.26 1.67 -1.51 -1.35 -0.50 116.25 115.85 1qmd h VAL 15 Ca 0.05 -2.19 -0.02 0.00 -1.23 0.00 0.00 66.70 63.32 1qmd h VAL 15 Cb 0.11 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 1qmd h VAL 15 CO -0.01 0.64 0.09 0.74 -1.23 0.00 0.00 177.57 177.80 1qmd h THR 16 N 0.15 1.19 0.00 7.19 2.02 -1.04 -2.21 112.91 120.20 1qmd h THR 16 Ca -0.02 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 1qmd h THR 16 Cb 1.23 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1qmd h THR 16 CO 0.11 0.19 -0.37 1.56 0.37 0.00 0.00 175.52 177.37 1qmd h GLN 17 N 0.26 0.00 -0.57 6.66 1.08 -0.92 -2.48 115.11 119.14 1qmd h GLN 17 Ca 0.08 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1qmd h GLN 17 Cb 0.22 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1qmd h GLN 17 CO -0.00 0.37 0.22 0.78 -0.95 0.00 0.00 178.83 179.25 1qmd h GLY 18 N 1.58 0.89 0.57 3.46 0.00 -0.53 0.16 103.07 109.19 1qmd h GLY 18 Ca -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1qmd h GLY 18 CO 0.05 0.43 -0.05 -2.08 0.00 0.00 0.00 176.54 174.89 1qmd h VAL 19 N 0.81 1.39 -0.92 4.60 2.07 -0.99 -2.64 116.25 120.58 1qmd h VAL 19 Ca 0.19 -1.25 0.04 0.00 0.82 0.00 0.00 66.70 66.50 1qmd h VAL 19 Cb 0.18 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 1qmd h VAL 19 CO -0.02 0.34 0.60 0.28 0.02 0.00 0.00 177.57 178.80 1qmd h SER 20 N -0.36 0.99 -0.43 0.57 0.02 -1.21 0.11 113.55 113.26 1qmd h SER 20 Ca 0.01 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1qmd h SER 20 Cb 0.57 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1qmd h SER 20 CO 0.01 0.68 0.21 0.40 -1.14 0.00 0.00 176.83 177.00 1qmd h ILE 21 N 1.15 0.97 -0.31 3.27 2.04 -0.67 -1.75 117.51 122.21 1qmd h ILE 21 Ca 0.37 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.94 1qmd h ILE 21 Cb 0.02 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1qmd h ILE 21 CO -0.11 0.08 -0.36 -0.07 0.00 0.00 0.00 178.15 177.69 1qmd h LEU 22 N 0.43 0.75 -2.14 1.44 3.38 -0.85 -0.05 115.31 118.28 1qmd h LEU 22 Ca 0.18 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1qmd h LEU 22 Cb 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1qmd h LEU 22 CO -0.13 1.04 0.06 -0.33 0.09 0.00 0.00 178.44 179.17 1qmd h GLU 23 N 0.59 0.00 0.03 1.13 4.39 -0.32 -1.36 114.58 119.04 1qmd h GLU 23 Ca 0.06 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.39 1qmd h GLU 23 Cb 0.89 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 1qmd h GLU 23 CO 0.08 0.00 -2.22 0.09 -1.16 0.00 0.00 179.01 175.80 1qmd n ASN 24 N -4.27 1.35 0.15 1.42 3.02 -0.71 -4.46 115.26 111.76 1qmd n ASN 24 Ca -0.01 0.07 0.12 0.00 -0.03 0.00 0.00 54.58 54.72 1qmd n ASN 24 Cb 0.16 -0.11 0.14 0.00 -0.61 0.00 0.00 39.78 39.36 1qmd n ASN 24 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1qmd h ASP 25 N 0.02 0.00 -1.95 6.41 3.32 -0.91 -3.46 116.42 119.84 1qmd h ASP 25 Ca -0.49 -0.03 -0.60 0.00 0.02 0.00 0.00 57.03 55.94 1qmd h ASP 25 Cb 2.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.59 1qmd h ASP 25 CO 0.01 0.01 1.32 -0.11 -1.72 0.00 0.00 179.24 178.75 1qmd n LEU 26 N -2.75 3.36 -4.69 1.55 7.94 -0.52 -0.49 117.00 121.39 1qmd n LEU 26 Ca 0.03 0.60 -0.33 0.00 -1.11 0.00 0.00 56.01 55.19 1qmd n LEU 26 Cb 0.52 -1.46 0.13 0.00 0.53 0.00 0.00 43.42 43.14 1qmd n LEU 26 CO 0.36 -0.32 0.76 -0.44 -1.11 0.00 0.00 177.39 176.64 1qmd s SER 27 N 6.17 3.48 0.25 1.96 0.01 -1.26 -4.86 113.70 119.46 1qmd s SER 27 Ca 0.97 2.37 0.05 0.00 1.31 0.00 0.00 55.95 60.65 1qmd s SER 27 Cb -0.53 -2.59 0.31 0.00 0.21 0.00 0.00 66.02 63.42 1qmd s SER 27 CO 0.43 -2.74 1.60 0.11 0.41 0.00 0.00 173.24 173.05 1qmd h LYS 28 N -1.01 0.24 0.00 12.44 1.57 -2.00 -3.05 116.57 124.76 1qmd h LYS 28 Ca -0.46 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 1qmd h LYS 28 Cb 1.30 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1qmd h LYS 28 CO 0.45 0.72 0.00 0.27 -0.57 0.00 0.00 179.45 180.33 1qmd n ASN 29 N -3.92 0.00 -4.71 0.86 2.04 -1.26 -4.88 115.26 103.40 1qmd n ASN 29 Ca -0.02 -0.37 -0.40 0.00 -0.44 0.00 0.00 54.58 53.35 1qmd n ASN 29 Cb 0.58 -0.18 0.02 0.00 -2.53 0.00 0.00 39.78 37.67 1qmd n ASN 29 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1qmd n GLU 30 N -1.18 1.84 -1.67 -3.83 -0.58 -1.16 -4.89 120.64 109.18 1qmd n GLU 30 Ca 0.16 0.66 -0.44 0.00 -0.42 0.00 0.00 57.16 57.12 1qmd n GLU 30 Cb 0.17 -2.44 -0.02 0.00 -0.57 0.00 0.00 31.44 28.58 1qmd n GLU 30 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1qmd n PRO 31 N -0.31 1.92 0.26 3.49 -0.02 -1.26 -4.86 135.00 134.23 1qmd n PRO 31 Ca 0.08 0.68 0.10 0.00 -2.02 0.00 0.00 63.50 62.33 1qmd n PRO 31 Cb 0.42 -2.25 0.69 0.00 -0.02 0.00 0.00 33.50 32.34 1qmd n PRO 31 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1qmd h GLU 32 N 3.08 0.00 -0.72 -0.52 4.11 -1.95 -2.01 114.58 116.58 1qmd h GLU 32 Ca -0.44 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.00 1qmd h GLU 32 Cb 1.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 1qmd h GLU 32 CO 0.67 0.05 0.47 0.66 0.07 0.00 0.00 179.01 180.93 1qmd h SER 33 N 0.00 0.79 0.01 3.06 4.64 -1.96 0.67 113.55 120.76 1qmd h SER 33 Ca -0.00 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1qmd h SER 33 Cb 0.10 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1qmd h SER 33 CO 0.01 0.56 -0.00 0.58 -0.87 0.00 0.00 176.83 177.11 1qmd h VAL 34 N 0.94 1.04 -0.03 0.95 2.07 -1.67 0.21 116.25 119.75 1qmd h VAL 34 Ca 0.28 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 1qmd h VAL 34 Cb -0.06 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1qmd h VAL 34 CO -0.08 0.04 -0.25 -0.09 0.02 0.00 0.00 177.57 177.21 1qmd h ARG 35 N -0.07 0.06 0.05 1.57 2.43 -1.22 -0.44 114.38 116.76 1qmd h ARG 35 Ca -0.00 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.87 1qmd h ARG 35 Cb 0.07 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1qmd h ARG 35 CO 0.00 0.31 -1.12 -0.22 -1.51 0.00 0.00 179.97 177.42 1qmd h LYS 36 N 0.05 0.65 0.00 0.20 3.64 0.71 -2.88 116.57 118.94 1qmd h LYS 36 Ca 0.01 -0.76 -0.10 0.00 -1.27 0.00 0.00 60.65 58.52 1qmd h LYS 36 Cb 0.47 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1qmd h LYS 36 CO 0.03 1.33 -0.47 -0.91 -2.27 0.00 0.00 179.45 177.16 1qmd h ASN 37 N 0.33 0.00 -0.52 4.20 2.35 -0.21 -2.31 115.58 119.42 1qmd h ASN 37 Ca -0.15 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 1qmd h ASN 37 Cb 1.78 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.13 1qmd h ASN 37 CO 0.22 0.47 0.08 0.25 -1.65 0.00 0.00 177.43 176.81 1qmd h LEU 38 N 0.00 0.87 -0.96 1.61 5.85 -1.07 -1.35 115.31 120.26 1qmd h LEU 38 Ca -0.00 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 1qmd h LEU 38 Cb 0.85 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1qmd h LEU 38 CO 0.06 0.88 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.60 1qmd h GLU 39 N 0.87 0.31 -0.39 1.25 4.57 -1.21 -0.11 114.58 119.86 1qmd h GLU 39 Ca 0.18 -0.13 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 1qmd h GLU 39 Cb 0.39 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1qmd h GLU 39 CO 0.01 0.63 -0.35 0.82 -1.18 0.00 0.00 179.01 178.94 1qmd h ILE 40 N 0.26 1.27 -0.17 2.32 2.04 -0.95 -1.91 117.51 120.38 1qmd h ILE 40 Ca 0.03 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.36 1qmd h ILE 40 Cb 0.76 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1qmd h ILE 40 CO 0.06 0.51 0.08 0.25 0.00 0.00 0.00 178.15 179.05 1qmd h LEU 41 N 0.76 0.22 -1.10 1.44 5.85 -0.79 -2.40 115.31 119.29 1qmd h LEU 41 Ca 0.07 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1qmd h LEU 41 Cb 0.93 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1qmd h LEU 41 CO 0.09 0.29 0.61 0.50 -0.34 0.00 0.00 178.44 179.59 1qmd h LYS 42 N 0.14 1.18 0.00 1.25 3.64 -0.90 0.40 116.57 122.28 1qmd h LYS 42 Ca 0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1qmd h LYS 42 Cb 0.13 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1qmd h LYS 42 CO -0.01 0.78 0.00 -0.85 -2.27 0.00 0.00 179.45 177.10 1qmd n GLU 43 N -4.42 0.14 -0.65 1.90 0.28 -0.73 -2.03 120.64 115.12 1qmd n GLU 43 Ca 0.12 0.10 0.01 0.00 -0.16 0.00 0.00 57.16 57.22 1qmd n GLU 43 Cb 0.06 -1.50 0.22 0.00 1.43 0.00 0.00 31.44 31.65 1qmd n GLU 43 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1qmd n ASN 44 N -1.41 3.13 -0.25 -1.84 3.02 0.09 -4.77 115.26 113.23 1qmd n ASN 44 Ca 0.08 -3.43 0.04 0.00 -0.03 0.00 0.00 54.58 51.24 1qmd n ASN 44 Cb 0.23 -0.60 0.17 0.00 -0.61 0.00 0.00 39.78 38.96 1qmd n ASN 44 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1qmd h MET 45 N 1.32 0.45 -0.32 3.52 1.85 -0.92 -1.19 114.93 119.63 1qmd h MET 45 Ca 0.14 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1qmd h MET 45 Cb 1.61 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 33.52 1qmd h MET 45 CO 0.34 0.29 0.21 1.25 -0.40 0.00 0.00 176.91 178.61 1qmd h HIS 46 N 0.46 0.41 0.02 1.39 -0.00 -1.86 -0.02 115.15 115.56 1qmd h HIS 46 Ca 0.39 0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 60.56 1qmd h HIS 46 Cb 0.56 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 1qmd h HIS 46 CO -0.16 0.26 -0.96 1.49 -0.00 0.00 0.00 177.93 178.57 1qmd h GLU 47 N 0.44 0.20 -0.43 5.26 4.57 -1.61 -1.14 114.58 121.86 1qmd h GLU 47 Ca 0.12 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 57.98 1qmd h GLU 47 Cb -0.04 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1qmd h GLU 47 CO -0.02 1.01 -0.01 1.25 -1.18 0.00 0.00 179.01 180.06 1qmd h LEU 48 N 0.10 0.76 -0.49 1.64 5.85 -0.67 -0.53 115.31 121.98 1qmd h LEU 48 Ca -0.06 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 1qmd h LEU 48 Cb 1.62 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 1qmd h LEU 48 CO 0.15 0.89 -0.02 1.56 -0.34 0.00 0.00 178.44 180.68 1qmd h GLN 49 N 0.61 0.87 -0.38 1.25 4.20 -1.02 -0.58 115.11 120.07 1qmd h GLN 49 Ca 0.12 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 1qmd h GLN 49 Cb 0.51 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1qmd h GLN 49 CO 0.02 0.92 0.10 -0.07 -0.67 0.00 0.00 178.83 179.13 1qmd h LEU 50 N 0.73 0.57 -1.40 1.46 3.38 -1.09 -2.57 115.31 116.38 1qmd h LEU 50 Ca 0.14 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1qmd h LEU 50 Cb 0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1qmd h LEU 50 CO 0.03 0.64 -0.17 1.23 0.09 0.00 0.00 178.44 180.27 1qmd h GLY 51 N 0.46 0.20 2.00 0.83 0.00 -0.98 -0.21 103.07 105.38 1qmd h GLY 51 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1qmd h GLY 51 CO -0.00 0.12 0.00 1.48 0.00 0.00 0.00 176.54 178.14 1qmd h SER 52 N 0.18 0.00 0.00 0.19 4.64 -0.70 -2.68 113.55 115.18 1qmd h SER 52 Ca 0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1qmd h SER 52 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1qmd h SER 52 CO 0.03 0.00 -1.44 0.35 -0.87 0.00 0.00 176.83 174.90 1qmd n THR 53 N -3.03 0.10 -0.28 2.95 -2.24 -0.93 -4.50 114.28 106.36 1qmd n THR 53 Ca 0.00 -0.23 0.09 0.00 -2.27 0.00 0.00 64.05 61.64 1qmd n THR 53 Cb 0.27 0.10 0.24 0.00 -2.10 0.00 0.00 70.33 68.84 1qmd n THR 53 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1qmd h TYR 54 N 0.00 0.46 -0.04 4.78 3.20 -1.05 -2.74 116.97 121.59 1qmd h TYR 54 Ca -0.04 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1qmd h TYR 54 Cb 0.61 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 1qmd h TYR 54 CO 0.00 -0.05 0.20 -1.35 -1.64 0.00 0.00 178.16 175.32 1qmd h PRO 55 N 0.35 0.00 -0.00 1.82 0.11 -1.87 0.11 132.00 132.52 1qmd h PRO 55 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1qmd h PRO 55 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1qmd h PRO 55 CO -0.51 0.00 -0.18 -0.25 -0.21 0.00 0.00 178.00 176.84 1qmd n ASP 56 N -3.10 0.29 0.00 -2.05 8.00 -1.03 -3.95 116.55 114.71 1qmd n ASP 56 Ca -0.02 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1qmd n ASP 56 Cb 0.27 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1qmd n ASP 56 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1qmd n TYR 57 N -1.34 0.00 -1.63 1.24 4.01 0.22 -4.76 117.16 114.90 1qmd n TYR 57 Ca 0.09 -0.19 -0.43 0.00 -0.16 0.00 0.00 57.90 57.21 1qmd n TYR 57 Cb 0.32 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.30 1qmd n TYR 57 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1qmd n ASP 58 N -0.19 3.78 -0.85 7.72 -0.08 -0.21 -4.87 116.55 121.85 1qmd n ASP 58 Ca 0.00 0.61 0.12 0.00 -1.51 0.00 0.00 54.79 54.01 1qmd n ASP 58 Cb 0.26 -1.54 0.15 0.00 2.34 0.00 0.00 41.12 42.34 1qmd n ASP 58 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1qmd n LYS 59 N 8.04 2.14 -1.99 -0.67 5.02 -1.26 -4.41 118.16 125.03 1qmd n LYS 59 Ca 0.24 -1.72 -0.36 0.00 -2.02 0.00 0.00 58.31 54.45 1qmd n LYS 59 Cb 0.42 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 34.00 1qmd n LYS 59 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qmd n ASN 60 N 1.07 6.84 0.00 4.39 3.02 -1.26 -4.91 115.26 124.41 1qmd n ASN 60 Ca 0.14 -3.81 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 1qmd n ASN 60 Cb 0.56 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1qmd n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qmd n ALA 61 N -0.57 0.00 -0.25 5.41 0.00 -1.26 -1.13 120.51 122.70 1qmd n ALA 61 Ca 0.51 0.00 0.05 0.00 0.00 0.00 0.00 53.44 54.01 1qmd n ALA 61 Cb 0.40 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.00 1qmd n ALA 61 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qmd n TYR 62 N 0.00 0.47 -3.44 0.00 4.02 -1.26 -4.65 117.16 112.30 1qmd n TYR 62 Ca 0.00 -0.54 -0.23 0.00 -0.01 0.00 0.00 57.90 57.12 1qmd n TYR 62 Cb 0.00 -0.06 0.07 0.00 -0.02 0.00 0.00 39.34 39.33 1qmd n TYR 62 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1qmd n ASP 63 N 0.33 -6.19 -4.66 7.72 -0.08 -1.26 -1.49 116.55 110.92 1qmd n ASP 63 Ca 0.12 -0.47 -0.26 0.00 -1.51 0.00 0.00 54.79 52.67 1qmd n ASP 63 Cb 0.46 -4.85 -0.08 0.00 2.34 0.00 0.00 41.12 38.99 1qmd n ASP 63 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1qmd s LEU 64 N -6.94 3.29 0.14 -2.67 1.43 -1.26 -4.88 118.68 107.80 1qmd s LEU 64 Ca 0.51 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 1qmd s LEU 64 Cb -0.22 -1.93 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 1qmd s LEU 64 CO 0.63 0.08 1.14 -0.47 0.23 0.00 0.00 176.35 177.95 1qmd s TYR 65 N -1.81 3.53 0.22 0.29 5.04 -1.26 -4.97 117.35 118.38 1qmd s TYR 65 Ca 0.28 1.50 -0.30 0.00 -2.44 0.00 0.00 57.07 56.11 1qmd s TYR 65 Cb -0.09 -3.33 -0.09 0.00 0.35 0.00 0.00 41.96 38.80 1qmd s TYR 65 CO 0.19 -0.85 1.37 -0.65 -1.34 0.00 0.00 175.55 174.26 1qmd s GLN 66 N 0.08 4.33 -0.27 4.97 1.11 -1.26 -5.00 119.66 123.62 1qmd s GLN 66 Ca 0.52 2.17 -0.01 0.00 0.01 0.00 0.00 55.36 58.05 1qmd s GLN 66 Cb -0.30 -3.16 0.14 0.00 -1.01 0.00 0.00 33.01 28.69 1qmd s GLN 66 CO 0.33 -0.33 0.38 0.34 0.01 0.00 0.00 175.29 176.02 1qmd s ASP 67 N 0.37 0.46 -0.49 5.90 -1.08 -1.26 -4.23 116.67 116.34 1qmd s ASP 67 Ca 0.58 -0.12 0.03 0.00 -0.52 0.00 0.00 52.55 52.52 1qmd s ASP 67 Cb -0.39 1.04 0.44 0.00 -1.46 0.00 0.00 42.92 42.56 1qmd s ASP 67 CO 0.40 -0.33 1.56 1.41 0.52 0.00 0.00 175.17 178.73 1qmd n HIS 68 N 5.35 3.01 -4.06 -5.34 8.25 -1.26 -4.93 115.22 116.24 1qmd n HIS 68 Ca -0.02 -2.62 -0.33 0.00 -0.26 0.00 0.00 57.72 54.49 1qmd n HIS 68 Cb 0.49 -0.79 -0.15 0.00 1.12 0.00 0.00 29.99 30.66 1qmd n HIS 68 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1qmd s PHE 69 N -3.72 2.98 0.13 4.41 0.08 -1.26 -4.67 117.98 115.93 1qmd s PHE 69 Ca 0.56 -1.78 0.07 0.00 0.12 0.00 0.00 56.93 55.90 1qmd s PHE 69 Cb 0.45 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 1qmd s PHE 69 CO -0.04 -0.80 -0.17 -1.58 -0.10 0.00 0.00 175.22 172.53 1qmd s TRP 70 N 1.25 1.63 0.16 0.36 0.51 -1.26 -5.10 118.94 116.50 1qmd s TRP 70 Ca 0.00 -0.48 -0.30 0.00 -2.12 0.00 0.00 56.10 53.20 1qmd s TRP 70 Cb -0.16 -0.85 -0.08 0.00 -0.81 0.00 0.00 33.47 31.57 1qmd s TRP 70 CO -0.09 0.22 1.21 0.34 -0.51 0.00 0.00 176.95 178.12 1qmd s ASP 71 N -2.33 7.07 0.55 2.95 2.15 -1.26 -4.90 116.67 120.91 1qmd s ASP 71 Ca 0.10 2.21 0.35 0.00 0.43 0.00 0.00 52.55 55.63 1qmd s ASP 71 Cb -0.07 -2.60 1.50 0.00 -0.30 0.00 0.00 42.92 41.45 1qmd s ASP 71 CO 0.05 -0.41 1.79 -0.65 -0.17 0.00 0.00 175.17 175.78 1qmd h PRO 72 N 5.57 0.00 -0.06 4.34 0.11 -1.95 -1.46 132.00 138.55 1qmd h PRO 72 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1qmd h PRO 72 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1qmd h PRO 72 CO 0.76 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.30 1qmd n ASP 73 N -4.06 1.21 0.05 -2.05 8.00 -1.26 -4.43 116.55 114.02 1qmd n ASP 73 Ca 0.23 -1.49 -0.11 0.00 0.71 0.00 0.00 54.79 54.13 1qmd n ASP 73 Cb 1.17 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 42.19 1qmd n ASP 73 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1qmd h THR 74 N 1.78 0.47 -0.43 -3.53 2.02 -1.65 -0.47 112.91 111.10 1qmd h THR 74 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1qmd h THR 74 Cb 0.38 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1qmd h THR 74 CO 0.00 0.00 0.23 -0.78 0.37 0.00 0.00 175.52 175.34 1qmd h ASP 75 N -0.35 0.35 -0.73 4.18 3.58 -1.83 -0.40 116.42 121.22 1qmd h ASP 75 Ca 0.07 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1qmd h ASP 75 Cb 0.44 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 1qmd h ASP 75 CO -0.22 0.25 0.47 -1.13 -2.88 0.00 0.00 179.24 175.73 1qmd h ASN 76 N 0.46 0.85 -0.63 2.28 -0.73 -1.76 -0.99 115.58 115.06 1qmd h ASN 76 Ca 0.18 -0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.24 1qmd h ASN 76 Cb 0.07 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 1qmd h ASN 76 CO -0.11 0.63 0.09 0.78 -0.37 0.00 0.00 177.43 178.45 1qmd h ASN 77 N 0.99 1.01 0.40 1.15 2.35 -0.52 -2.45 115.58 118.51 1qmd h ASN 77 Ca 0.27 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1qmd h ASN 77 Cb -0.09 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 1qmd h ASN 77 CO -0.05 1.02 -0.29 -0.26 -1.65 0.00 0.00 177.43 176.19 1qmd h PHE 78 N 0.96 0.00 0.00 1.19 0.04 -0.66 -2.94 116.94 115.53 1qmd h PHE 78 Ca 0.19 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1qmd h PHE 78 Cb 0.44 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 1qmd h PHE 78 CO 0.03 0.29 -0.16 0.66 -0.60 0.00 0.00 178.31 178.54 1qmd h SER 79 N 0.00 0.00 -4.08 2.17 4.64 -0.71 -3.46 113.55 112.11 1qmd h SER 79 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1qmd h SER 79 Cb 0.57 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.77 1qmd h SER 79 CO 0.04 0.16 0.48 -0.54 -0.87 0.00 0.00 176.83 176.09 1qmd s LYS 80 N -3.37 3.08 0.62 4.77 1.02 -1.11 -5.00 119.74 119.76 1qmd s LYS 80 Ca 0.04 1.83 -0.15 0.00 0.02 0.00 0.00 55.97 57.71 1qmd s LYS 80 Cb 0.08 -2.00 -0.02 0.00 -0.52 0.00 0.00 37.83 35.37 1qmd s LYS 80 CO 0.65 -1.12 1.07 -0.51 -0.92 0.00 0.00 175.35 174.52 1qmd s ASP 81 N -1.54 5.60 0.00 2.83 1.01 -1.26 -3.98 116.67 119.33 1qmd s ASP 81 Ca 0.76 1.81 0.00 0.00 0.71 0.00 0.00 52.55 55.82 1qmd s ASP 81 Cb -0.30 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.10 1qmd s ASP 81 CO 0.34 -1.30 0.00 0.59 0.21 0.00 0.00 175.17 175.01 1qmd n ASN 82 N -2.30 0.00 0.00 0.27 3.02 -1.26 -4.79 115.26 110.20 1qmd n ASN 82 Ca 0.09 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.66 1qmd n ASN 82 Cb 0.53 -0.12 0.12 0.00 -0.61 0.00 0.00 39.78 39.69 1qmd n ASN 82 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1qmd n SER 83 N 0.25 0.00 -3.80 6.41 7.64 -1.26 -4.77 113.62 118.09 1qmd n SER 83 Ca 0.00 -1.44 -0.13 0.00 1.01 0.00 0.00 58.87 58.32 1qmd n SER 83 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1qmd n SER 83 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1qmd s TRP 84 N -2.00 -0.22 -0.64 1.43 -0.11 -1.26 -5.01 118.94 111.13 1qmd s TRP 84 Ca 0.06 0.52 -0.27 0.00 1.22 0.00 0.00 56.10 57.63 1qmd s TRP 84 Cb 0.03 0.07 0.02 0.00 -1.50 0.00 0.00 33.47 32.09 1qmd s TRP 84 CO 0.05 -0.13 1.39 -0.47 -4.62 0.00 0.00 176.95 173.16 1qmd s TYR 85 N -0.03 2.24 0.51 5.86 5.04 -1.26 -4.89 117.35 124.82 1qmd s TYR 85 Ca -0.01 0.30 0.31 0.00 -2.44 0.00 0.00 57.07 55.23 1qmd s TYR 85 Cb -0.02 -4.46 1.43 0.00 0.35 0.00 0.00 41.96 39.25 1qmd s TYR 85 CO 0.01 -2.01 1.81 -0.07 -1.34 0.00 0.00 175.55 173.95 1qmd h LEU 86 N 13.35 0.11 -2.52 6.97 3.38 -1.96 -0.90 115.31 133.74 1qmd h LEU 86 Ca -0.27 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1qmd h LEU 86 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1qmd h LEU 86 CO 1.22 0.02 -0.02 0.00 0.09 0.00 0.00 178.44 179.76 1qmd h ALA 87 N 1.49 1.33 -2.70 1.53 0.00 -1.90 -3.42 119.26 115.59 1qmd h ALA 87 Ca 0.54 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.81 1qmd h ALA 87 Cb 1.96 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 1qmd h ALA 87 CO -0.08 0.02 -0.31 0.71 0.00 0.00 0.00 179.25 179.59 1qmd s TYR 88 N -4.41 3.66 0.81 0.00 2.02 -0.34 -0.14 117.35 118.95 1qmd s TYR 88 Ca -0.05 0.80 -0.11 0.00 -0.37 0.00 0.00 57.07 57.35 1qmd s TYR 88 Cb 0.14 -2.17 0.08 0.00 -0.40 0.00 0.00 41.96 39.61 1qmd s TYR 88 CO 0.51 0.64 1.11 -1.54 -1.57 0.00 0.00 175.55 174.71 1qmd s SER 89 N -0.93 4.03 -0.09 2.29 1.04 -1.19 -4.79 113.70 114.06 1qmd s SER 89 Ca 0.20 1.96 -0.16 0.00 0.48 0.00 0.00 55.95 58.43 1qmd s SER 89 Cb -0.15 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 1qmd s SER 89 CO 0.09 -2.36 0.41 -0.63 0.98 0.00 0.00 173.24 171.74 1qmd s ILE 90 N -2.77 5.16 0.49 -1.02 1.01 0.14 -4.94 121.20 119.27 1qmd s ILE 90 Ca 0.64 0.82 -0.23 0.00 0.00 0.00 0.00 60.65 61.88 1qmd s ILE 90 Cb -0.19 -3.74 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 1qmd s ILE 90 CO 0.56 0.42 1.29 -2.16 0.00 0.00 0.00 174.94 175.05 1qmd s PRO 91 N 0.02 3.52 0.31 2.79 0.04 -1.26 -3.86 135.00 136.56 1qmd s PRO 91 Ca 0.23 2.08 -0.29 0.00 0.04 0.00 0.00 61.00 63.06 1qmd s PRO 91 Cb -0.15 -2.41 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 1qmd s PRO 91 CO 0.10 -0.84 1.34 -0.51 0.04 0.00 0.00 177.00 177.13 1qmd s ASP 92 N -1.03 6.73 0.34 6.66 1.01 -1.26 -5.01 116.67 124.12 1qmd s ASP 92 Ca 0.66 2.69 0.04 0.00 0.71 0.00 0.00 52.55 56.65 1qmd s ASP 92 Cb -0.36 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 40.86 1qmd s ASP 92 CO 0.44 -0.59 0.05 0.42 0.21 0.00 0.00 175.17 175.70 1qmd s THR 93 N -0.83 1.33 0.23 -1.27 -4.23 -1.26 -5.01 115.64 104.61 1qmd s THR 93 Ca 0.52 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.95 1qmd s THR 93 Cb -0.40 -2.83 0.21 0.00 1.34 0.00 0.00 72.50 70.82 1qmd s THR 93 CO 0.51 0.00 1.90 1.23 -0.54 0.00 0.00 174.62 177.71 1qmd h GLY 94 N 2.05 1.26 0.99 3.99 0.00 -1.95 -1.07 103.07 108.35 1qmd h GLY 94 Ca -0.41 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.43 1qmd h GLY 94 CO 0.72 0.48 0.15 0.83 0.00 0.00 0.00 176.54 178.71 1qmd h GLU 95 N 1.21 0.31 -0.21 4.80 4.39 -1.96 -2.39 114.58 120.74 1qmd h GLU 95 Ca 0.32 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.87 1qmd h GLU 95 Cb -0.11 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1qmd h GLU 95 CO -0.07 0.23 -0.42 0.66 -1.16 0.00 0.00 179.01 178.25 1qmd h SER 96 N 0.30 0.53 -0.51 1.42 4.64 -1.90 -2.99 113.55 115.04 1qmd h SER 96 Ca 0.08 -0.24 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 1qmd h SER 96 Cb -0.01 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 1qmd h SER 96 CO -0.02 0.88 0.17 1.56 -0.87 0.00 0.00 176.83 178.56 1qmd h GLN 97 N 0.41 0.84 -0.19 4.77 1.08 -1.03 -0.34 115.11 120.64 1qmd h GLN 97 Ca 0.03 -0.16 0.02 0.00 -1.45 0.00 0.00 58.65 57.09 1qmd h GLN 97 Cb 0.91 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 1qmd h GLN 97 CO 0.08 0.73 0.07 0.82 -0.95 0.00 0.00 178.83 179.58 1qmd h ILE 98 N 0.82 0.96 -0.44 2.54 2.04 -1.29 -1.51 117.51 120.63 1qmd h ILE 98 Ca 0.19 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 1qmd h ILE 98 Cb 0.25 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1qmd h ILE 98 CO -0.01 0.03 0.15 0.03 0.00 0.00 0.00 178.15 178.36 1qmd h ARG 99 N 0.17 0.67 0.26 2.37 3.08 -1.39 -1.43 114.38 118.11 1qmd h ARG 99 Ca 0.08 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1qmd h ARG 99 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1qmd h ARG 99 CO -0.08 0.64 -0.12 -0.22 -1.07 0.00 0.00 179.97 179.12 1qmd h LYS 100 N 0.57 -0.33 0.00 0.04 3.64 -0.92 -0.99 116.57 118.57 1qmd h LYS 100 Ca 0.14 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1qmd h LYS 100 Cb 0.24 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1qmd h LYS 100 CO -0.01 -0.11 -0.15 0.74 -2.27 0.00 0.00 179.45 177.65 1qmd h PHE 101 N -0.50 0.00 -0.14 1.91 0.04 -1.31 -1.21 116.94 115.73 1qmd h PHE 101 Ca -0.04 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 1qmd h PHE 101 Cb 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1qmd h PHE 101 CO -0.02 0.15 -0.35 0.77 -0.60 0.00 0.00 178.31 178.26 1qmd h SER 102 N 0.00 0.55 -0.38 2.17 0.02 -0.99 -1.12 113.55 113.81 1qmd h SER 102 Ca -0.00 -0.58 -0.01 0.00 -0.84 0.00 0.00 61.79 60.35 1qmd h SER 102 Cb 0.52 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1qmd h SER 102 CO 0.02 1.03 0.18 0.00 -1.14 0.00 0.00 176.83 176.93 1qmd h ALA 103 N 0.53 0.49 -0.48 3.77 0.00 -0.74 -0.32 119.26 122.51 1qmd h ALA 103 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1qmd h ALA 103 Cb 0.96 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1qmd h ALA 103 CO 0.08 0.05 0.14 -0.07 0.00 0.00 0.00 179.25 179.44 1qmd h LEU 104 N 0.47 0.66 -0.25 0.00 3.38 -1.25 -1.00 115.31 117.32 1qmd h LEU 104 Ca 0.13 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1qmd h LEU 104 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1qmd h LEU 104 CO -0.02 0.64 -0.06 0.00 0.09 0.00 0.00 178.44 179.10 1qmd h ALA 105 N 1.45 0.34 -0.21 1.53 0.00 -0.66 -1.80 119.26 119.92 1qmd h ALA 105 Ca 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1qmd h ALA 105 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1qmd h ALA 105 CO -0.01 0.14 0.10 0.00 0.00 0.00 0.00 179.25 179.48 1qmd h ARG 106 N 0.22 0.30 -0.40 0.00 3.08 -0.72 -1.52 114.38 115.35 1qmd h ARG 106 Ca 0.06 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1qmd h ARG 106 Cb 0.52 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1qmd h ARG 106 CO 0.02 0.32 0.15 -0.92 -1.07 0.00 0.00 179.97 178.47 1qmd h TYR 107 N 0.22 0.27 -0.61 3.04 3.20 -1.17 -1.80 116.97 120.12 1qmd h TYR 107 Ca 0.07 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1qmd h TYR 107 Cb 0.11 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1qmd h TYR 107 CO -0.03 0.11 0.11 0.93 -1.64 0.00 0.00 178.16 177.64 1qmd h GLU 108 N 0.32 0.98 -0.45 1.82 4.39 -1.15 -3.05 114.58 117.43 1qmd h GLU 108 Ca 0.18 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1qmd h GLU 108 Cb 0.16 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1qmd h GLU 108 CO -0.18 0.90 0.06 2.35 -1.16 0.00 0.00 179.01 180.97 1qmd h TRP 109 N 0.92 0.82 -0.36 4.33 2.91 -0.83 -0.30 115.95 123.44 1qmd h TRP 109 Ca 0.19 -0.12 0.07 0.00 1.13 0.00 0.00 58.89 60.16 1qmd h TRP 109 Cb 0.39 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.80 1qmd h TRP 109 CO 0.03 0.78 0.25 1.96 -1.03 0.00 0.00 178.44 180.42 1qmd h GLN 110 N 0.62 0.18 -0.65 2.65 1.08 -1.23 -0.95 115.11 116.81 1qmd h GLN 110 Ca 0.14 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1qmd h GLN 110 Cb 0.41 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1qmd h GLN 110 CO 0.01 0.12 0.00 2.89 -0.95 0.00 0.00 178.83 180.90 1qmd n ARG 111 N -4.47 3.67 -0.97 1.46 1.85 -1.13 -4.96 116.66 112.12 1qmd n ARG 111 Ca 0.05 -2.75 0.00 0.00 -1.00 0.00 0.00 57.85 54.15 1qmd n ARG 111 Cb 0.31 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 29.83 1qmd n ARG 111 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1qmd n GLY 112 N 1.10 0.79 3.20 2.89 0.00 -0.36 -4.95 105.19 107.85 1qmd n GLY 112 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1qmd n GLY 112 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qmd n ASN 113 N 0.00 5.02 -0.25 1.61 3.02 -0.14 -4.79 115.26 119.74 1qmd n ASN 113 Ca 0.00 -3.01 -0.06 0.00 -0.03 0.00 0.00 54.58 51.48 1qmd n ASN 113 Cb 0.00 -1.57 0.05 0.00 -0.61 0.00 0.00 39.78 37.65 1qmd n ASN 113 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1qmd h TYR 114 N 6.58 1.00 -0.12 3.10 0.05 -1.89 -0.78 116.97 124.91 1qmd h TYR 114 Ca 0.38 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 59.11 1qmd h TYR 114 Cb 0.76 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1qmd h TYR 114 CO 1.23 0.75 0.07 -0.22 -1.05 0.00 0.00 178.16 178.94 1qmd h LYS 115 N 0.95 0.17 -0.39 4.88 1.63 -1.96 0.10 116.57 121.95 1qmd h LYS 115 Ca 0.23 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.86 1qmd h LYS 115 Cb 0.14 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1qmd h LYS 115 CO -0.03 0.18 -0.34 0.37 -3.45 0.00 0.00 179.45 176.18 1qmd h GLN 116 N 0.11 0.92 -0.48 1.90 5.75 -1.96 -2.39 115.11 118.96 1qmd h GLN 116 Ca 0.04 -0.47 0.01 0.00 -0.15 0.00 0.00 58.65 58.08 1qmd h GLN 116 Cb 0.06 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1qmd h GLN 116 CO -0.01 1.12 0.32 0.00 -2.65 0.00 0.00 178.83 177.62 1qmd h ALA 117 N 0.78 0.61 -0.69 3.38 0.00 -0.95 -1.13 119.26 121.26 1qmd h ALA 117 Ca 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1qmd h ALA 117 Cb 0.93 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1qmd h ALA 117 CO 0.09 0.05 0.15 1.15 0.00 0.00 0.00 179.25 180.69 1qmd h THR 118 N 0.65 1.26 -0.16 0.00 2.02 -0.94 -0.77 112.91 114.97 1qmd h THR 118 Ca 0.18 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1qmd h THR 118 Cb -0.07 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1qmd h THR 118 CO -0.04 0.38 0.08 0.15 0.37 0.00 0.00 175.52 176.46 1qmd h PHE 119 N 1.05 0.22 -0.85 3.16 3.57 -1.10 -0.24 116.94 122.77 1qmd h PHE 119 Ca 0.22 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.75 1qmd h PHE 119 Cb 0.39 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1qmd h PHE 119 CO 0.03 0.23 0.54 1.88 -2.23 0.00 0.00 178.31 178.76 1qmd h TYR 120 N 0.15 1.01 -0.78 0.41 0.05 -0.98 -1.11 116.97 115.72 1qmd h TYR 120 Ca 0.06 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 1qmd h TYR 120 Cb 0.08 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.45 1qmd h TYR 120 CO -0.04 0.57 0.33 1.25 -1.05 0.00 0.00 178.16 179.22 1qmd h LEU 121 N 1.04 1.06 -0.70 3.88 5.85 -0.75 -1.22 115.31 124.48 1qmd h LEU 121 Ca 0.34 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1qmd h LEU 121 Cb 0.03 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1qmd h LEU 121 CO -0.13 0.93 0.46 1.23 -0.34 0.00 0.00 178.44 180.59 1qmd h GLY 122 N 1.15 0.98 1.34 3.75 0.00 0.12 -1.30 103.07 109.12 1qmd h GLY 122 Ca 0.26 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1qmd h GLY 122 CO -0.02 0.35 -0.00 0.83 0.00 0.00 0.00 176.54 177.70 1qmd h GLU 123 N 0.94 0.80 -0.36 4.80 5.08 -0.73 0.10 114.58 125.21 1qmd h GLU 123 Ca 0.26 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1qmd h GLU 123 Cb -0.10 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1qmd h GLU 123 CO -0.06 0.81 0.15 0.00 -1.00 0.00 0.00 179.01 178.91 1qmd h ALA 124 N 1.25 0.46 0.00 3.43 0.00 -0.62 -2.65 119.26 121.13 1qmd h ALA 124 Ca 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1qmd h ALA 124 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1qmd h ALA 124 CO 0.02 0.05 -0.30 0.52 0.00 0.00 0.00 179.25 179.54 1qmd h MET 125 N 0.44 0.00 -0.19 0.00 2.86 -0.87 -1.98 114.93 115.19 1qmd h MET 125 Ca 0.12 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1qmd h MET 125 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1qmd h MET 125 CO -0.01 0.30 0.11 1.25 1.06 0.00 0.00 176.91 179.62 1qmd h HIS 126 N 0.00 0.26 -0.15 -0.22 6.17 -0.64 0.64 115.15 121.21 1qmd h HIS 126 Ca -0.00 -0.00 -0.10 0.00 0.71 0.00 0.00 60.37 60.97 1qmd h HIS 126 Cb 0.65 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.49 1qmd h HIS 126 CO 0.00 0.22 -0.35 1.88 0.71 0.00 0.00 177.93 180.39 1qmd h TYR 127 N 0.22 0.36 -0.59 5.26 0.05 -1.20 -1.77 116.97 119.29 1qmd h TYR 127 Ca 0.07 -0.09 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 1qmd h TYR 127 Cb 0.04 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1qmd h TYR 127 CO -0.04 0.63 0.04 0.35 -1.05 0.00 0.00 178.16 178.08 1qmd h PHE 128 N 0.27 1.11 -0.86 4.88 3.57 -1.02 -2.18 116.94 122.70 1qmd h PHE 128 Ca 0.03 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.36 1qmd h PHE 128 Cb 0.75 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1qmd h PHE 128 CO 0.02 0.97 0.57 0.78 -2.23 0.00 0.00 178.31 178.42 1qmd h GLY 129 N 0.92 1.21 0.94 2.40 0.00 -0.46 -2.41 103.07 105.67 1qmd h GLY 129 Ca 0.17 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1qmd h GLY 129 CO 0.02 0.44 -0.08 -0.55 0.00 0.00 0.00 176.54 176.38 1qmd h ASP 130 N 1.17 -0.19 0.52 0.19 3.32 -1.05 -1.94 116.42 118.43 1qmd h ASP 130 Ca 0.32 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1qmd h ASP 130 Cb -0.13 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1qmd h ASP 130 CO -0.07 -0.12 0.00 0.16 -1.72 0.00 0.00 179.24 177.49 1qmd h ILE 131 N -0.19 0.00 -0.23 0.35 3.07 -1.30 0.12 117.51 119.33 1qmd h ILE 131 Ca -0.00 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.16 1qmd h ILE 131 Cb 0.16 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 37.87 1qmd h ILE 131 CO -0.00 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.43 1qmd n ASP 132 N -2.89 2.14 -4.66 2.16 -0.08 -0.80 -4.17 116.55 108.25 1qmd n ASP 132 Ca -0.01 -1.80 -0.41 0.00 -1.51 0.00 0.00 54.79 51.06 1qmd n ASP 132 Cb 0.18 -0.15 -0.05 0.00 2.34 0.00 0.00 41.12 43.45 1qmd n ASP 132 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1qmd s THR 133 N -1.70 4.94 -1.27 5.18 2.01 0.41 -4.86 115.64 120.35 1qmd s THR 133 Ca 0.33 1.43 -0.17 0.00 0.31 0.00 0.00 61.69 63.60 1qmd s THR 133 Cb 0.18 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1qmd s THR 133 CO 0.27 0.05 2.08 -0.81 -0.69 0.00 0.00 174.62 175.52 1qmd n PRO 134 N 5.22 2.54 -3.43 4.92 -0.04 -1.26 -4.79 135.00 138.16 1qmd n PRO 134 Ca 0.02 -2.52 -0.15 0.00 -0.04 0.00 0.00 63.50 60.81 1qmd n PRO 134 Cb 0.49 -3.26 -0.11 0.00 -0.04 0.00 0.00 33.50 30.59 1qmd n PRO 134 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1qmd s TYR 135 N 4.13 -0.48 -0.28 0.54 5.04 -1.26 -4.51 117.35 120.52 1qmd s TYR 135 Ca 0.51 0.33 0.21 0.00 -2.44 0.00 0.00 57.07 55.69 1qmd s TYR 135 Cb 0.12 -0.26 0.49 0.00 0.35 0.00 0.00 41.96 42.66 1qmd s TYR 135 CO -0.01 -0.70 1.05 0.72 -1.34 0.00 0.00 175.55 175.28 1qmd n HIS 136 N 5.33 1.27 -1.94 4.97 8.25 -1.26 -4.80 115.22 127.04 1qmd n HIS 136 Ca -0.04 -2.38 -0.32 0.00 -0.26 0.00 0.00 57.72 54.72 1qmd n HIS 136 Cb 0.49 -0.28 0.01 0.00 1.12 0.00 0.00 29.99 31.33 1qmd n HIS 136 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1qmd s PRO 137 N -3.56 3.40 0.17 -0.41 0.04 -1.26 -4.94 135.00 128.45 1qmd s PRO 137 Ca 0.28 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 1qmd s PRO 137 Cb 0.37 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.93 1qmd s PRO 137 CO -0.01 -0.73 1.69 0.00 0.04 0.00 0.00 177.00 177.98 1qmd h ALA 138 N 0.03 0.80 -3.06 8.56 0.00 -2.03 -3.41 119.26 120.15 1qmd h ALA 138 Ca -0.45 -0.23 -0.66 0.00 0.00 0.00 0.00 54.91 53.56 1qmd h ALA 138 Cb 1.20 -0.23 -0.31 0.00 0.00 0.00 0.00 17.79 18.45 1qmd h ALA 138 CO 0.59 0.51 -0.78 -0.80 0.00 0.00 0.00 179.25 178.76 1qmd s ASN 139 N -6.30 3.81 0.31 0.00 0.01 -1.26 -5.11 114.94 106.41 1qmd s ASN 139 Ca -0.12 -0.56 -0.27 0.00 -0.71 0.00 0.00 52.86 51.20 1qmd s ASN 139 Cb 0.13 -1.62 -0.10 0.00 0.41 0.00 0.00 41.25 40.07 1qmd s ASN 139 CO 0.82 -0.03 0.95 -0.69 -1.51 0.00 0.00 177.10 176.64 1qmd s VAL 140 N 1.38 4.18 -0.46 1.60 1.01 -1.26 -5.04 120.40 121.80 1qmd s VAL 140 Ca 0.05 1.86 0.04 0.00 0.00 0.00 0.00 61.98 63.92 1qmd s VAL 140 Cb -0.14 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.31 1qmd s VAL 140 CO -0.08 0.20 0.19 -0.89 0.00 0.00 0.00 175.10 174.52 1qmd s THR 141 N -1.55 2.45 0.35 3.92 2.01 -1.26 -5.10 115.64 116.47 1qmd s THR 141 Ca 0.49 -2.97 -0.26 0.00 0.31 0.00 0.00 61.69 59.26 1qmd s THR 141 Cb -0.20 -2.74 -0.09 0.00 0.01 0.00 0.00 72.50 69.48 1qmd s THR 141 CO 0.25 -0.73 1.05 0.00 -0.69 0.00 0.00 174.62 174.50 1qmd s ALA 142 N 0.14 3.20 0.00 7.40 0.00 -1.26 -4.40 121.76 126.84 1qmd s ALA 142 Ca 0.15 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1qmd s ALA 142 Cb -0.24 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1qmd s ALA 142 CO -0.03 -0.16 0.26 1.33 0.00 0.00 0.00 175.76 177.16 1qmd n VAL 143 N 0.41 0.00 -4.09 0.00 0.24 -0.09 -4.99 118.33 109.80 1qmd n VAL 143 Ca 0.03 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.34 61.72 1qmd n VAL 143 Cb 0.48 1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.77 1qmd n VAL 143 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1qmd s ASP 144 N -0.48 0.06 0.60 -1.34 1.47 -1.25 -5.00 116.67 110.73 1qmd s ASP 144 Ca 0.00 -1.14 0.39 0.00 1.18 0.00 0.00 52.55 52.98 1qmd s ASP 144 Cb 0.00 0.45 1.98 0.00 -0.34 0.00 0.00 42.92 45.01 1qmd s ASP 144 CO 0.00 -0.94 2.19 0.77 0.68 0.00 0.00 175.17 177.87 1qmd h SER 145 N 2.50 0.00 -0.29 2.11 4.64 -1.98 -2.17 113.55 118.36 1qmd h SER 145 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1qmd h SER 145 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1qmd h SER 145 CO 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 1qmd n ALA 146 N -2.06 2.47 -1.29 5.18 0.00 -1.26 -4.77 120.51 118.78 1qmd n ALA 146 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1qmd n ALA 146 Cb 0.15 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1qmd n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qmd n GLY 147 N 1.24 0.38 3.91 0.00 0.00 -0.82 -4.59 105.19 105.30 1qmd n GLY 147 Ca 0.17 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 1qmd n GLY 147 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qmd s HIS 148 N -2.00 3.32 0.35 1.61 3.76 -1.26 -4.74 115.29 116.33 1qmd s HIS 148 Ca 0.00 0.78 0.07 0.00 -0.15 0.00 0.00 55.06 55.76 1qmd s HIS 148 Cb 0.00 -2.77 -0.07 0.00 1.11 0.00 0.00 32.58 30.85 1qmd s HIS 148 CO 0.00 -0.85 -0.02 0.14 -0.85 0.00 0.00 174.74 173.16 1qmd s VAL 149 N -3.06 1.86 0.38 -0.90 -7.23 -1.26 -0.91 120.40 109.28 1qmd s VAL 149 Ca 0.54 -2.08 0.11 0.00 -1.81 0.00 0.00 61.98 58.74 1qmd s VAL 149 Cb -0.11 -2.77 0.33 0.00 0.56 0.00 0.00 36.38 34.39 1qmd s VAL 149 CO 0.47 -0.11 1.91 0.11 -0.31 0.00 0.00 175.10 177.17 1qmd h LYS 150 N 1.99 0.59 -0.36 4.82 1.57 -1.95 -1.56 116.57 121.67 1qmd h LYS 150 Ca -0.42 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.26 1qmd h LYS 150 Cb 1.24 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1qmd h LYS 150 CO 0.74 0.39 -0.05 0.35 -0.57 0.00 0.00 179.45 180.31 1qmd h PHE 151 N 0.60 0.62 -0.17 -1.35 3.57 -1.96 -0.90 116.94 117.35 1qmd h PHE 151 Ca 0.38 -0.08 -0.19 0.00 3.53 0.00 0.00 57.97 61.61 1qmd h PHE 151 Cb 0.63 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1qmd h PHE 151 CO -0.00 0.63 -0.66 0.93 -2.23 0.00 0.00 178.31 176.98 1qmd h GLU 152 N 0.55 0.65 0.00 1.11 5.08 -1.71 -2.10 114.58 118.16 1qmd h GLU 152 Ca 0.11 -0.47 -0.11 0.00 -1.00 0.00 0.00 59.36 57.89 1qmd h GLU 152 Cb 0.43 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1qmd h GLU 152 CO 0.02 1.09 -0.50 1.79 -1.00 0.00 0.00 179.01 180.41 1qmd h THR 153 N 0.47 1.15 -0.12 1.13 1.35 -1.18 -0.62 112.91 115.09 1qmd h THR 153 Ca -0.02 -1.85 -0.03 0.00 -0.55 0.00 0.00 66.41 63.96 1qmd h THR 153 Cb 1.25 2.06 -0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1qmd h THR 153 CO 0.13 0.49 -0.05 0.15 -0.25 0.00 0.00 175.52 175.99 1qmd h PHE 154 N 0.00 0.27 -0.35 4.73 3.04 -1.09 -2.56 116.94 120.97 1qmd h PHE 154 Ca -0.01 -0.06 -0.05 0.00 3.98 0.00 0.00 57.97 61.83 1qmd h PHE 154 Cb 1.02 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.45 1qmd h PHE 154 CO 0.00 0.57 -0.01 0.00 -2.02 0.00 0.00 178.31 176.85 1qmd h ALA 155 N 0.66 1.33 -0.71 2.41 0.00 -1.23 -2.86 119.26 118.87 1qmd h ALA 155 Ca 0.03 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1qmd h ALA 155 Cb 0.49 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1qmd h ALA 155 CO 0.01 0.46 0.47 1.49 0.00 0.00 0.00 179.25 181.68 1qmd h GLU 156 N 0.53 0.94 0.00 0.00 4.57 -0.96 0.83 114.58 120.48 1qmd h GLU 156 Ca 0.11 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1qmd h GLU 156 Cb 0.35 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1qmd h GLU 156 CO 0.01 0.62 0.00 1.49 -1.18 0.00 0.00 179.01 179.95 1qmd h GLU 157 N 0.96 0.00 0.00 1.92 4.81 -1.22 -3.08 114.58 117.97 1qmd h GLU 157 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1qmd h GLU 157 Cb -0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1qmd h GLU 157 CO -0.06 0.00 -0.00 0.54 -0.73 0.00 0.00 179.01 178.76 1qmd n ARG 158 N -2.53 2.81 -0.36 1.92 1.74 -0.55 -4.85 116.66 114.83 1qmd n ARG 158 Ca 0.01 -1.46 0.27 0.00 -0.77 0.00 0.00 57.85 55.89 1qmd n ARG 158 Cb 0.22 -0.98 0.53 0.00 -1.02 0.00 0.00 32.46 31.21 1qmd n ARG 158 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1qmd h LYS 159 N 0.00 0.29 -0.45 5.56 2.10 -0.79 -2.03 116.57 121.25 1qmd h LYS 159 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1qmd h LYS 159 Cb 0.54 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.78 1qmd h LYS 159 CO 0.00 0.19 0.29 0.93 -2.00 0.00 0.00 179.45 178.86 1qmd h GLU 160 N 0.30 0.60 -0.02 0.07 3.07 -1.88 -2.39 114.58 114.33 1qmd h GLU 160 Ca 0.70 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 1qmd h GLU 160 Cb 1.84 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.62 1qmd h GLU 160 CO -0.43 0.40 0.00 0.00 -1.40 0.00 0.00 179.01 177.58 1qmd n GLN 161 N -4.46 1.16 -0.01 2.33 10.64 -0.76 -3.53 117.38 122.75 1qmd n GLN 161 Ca 0.04 -0.23 0.07 0.00 -1.83 0.00 0.00 57.00 55.05 1qmd n GLN 161 Cb 0.06 -1.43 0.06 0.00 -0.86 0.00 0.00 30.24 28.08 1qmd n GLN 161 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1qmd n TYR 162 N -0.66 0.02 -1.98 2.61 4.01 -0.90 -5.02 117.16 115.24 1qmd n TYR 162 Ca 0.20 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.51 1qmd n TYR 162 Cb 0.15 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 1qmd n TYR 162 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1qmd s LYS 163 N -1.14 4.25 0.10 -0.72 1.02 -1.23 -4.49 119.74 117.52 1qmd s LYS 163 Ca 0.17 2.37 0.07 0.00 0.02 0.00 0.00 55.97 58.59 1qmd s LYS 163 Cb 0.12 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 1qmd s LYS 163 CO 0.17 -0.36 -0.18 0.96 -0.92 0.00 0.00 175.35 175.03 1qmd s ILE 164 N -0.90 1.47 -0.06 2.17 -4.36 -1.26 -5.06 121.20 113.19 1qmd s ILE 164 Ca 0.52 -1.51 0.08 0.00 -0.26 0.00 0.00 60.65 59.49 1qmd s ILE 164 Cb -0.43 -1.40 0.13 0.00 1.25 0.00 0.00 42.46 42.01 1qmd s ILE 164 CO 0.55 -0.18 1.07 0.59 0.24 0.00 0.00 174.94 177.21 1qmd n ASN 165 N 1.04 2.17 -3.57 4.36 5.03 -1.26 -4.77 115.26 118.25 1qmd n ASN 165 Ca -0.19 -2.46 -0.16 0.00 0.87 0.00 0.00 54.58 52.64 1qmd n ASN 165 Cb 0.54 -0.18 -0.06 0.00 -1.02 0.00 0.00 39.78 39.06 1qmd n ASN 165 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1qmd s THR 166 N -1.79 0.02 -0.79 3.41 -1.32 -1.26 -4.13 115.64 109.77 1qmd s THR 166 Ca 0.14 -0.13 0.26 0.00 -1.21 0.00 0.00 61.69 60.74 1qmd s THR 166 Cb 0.12 -0.93 0.18 0.00 -1.51 0.00 0.00 72.50 70.35 1qmd s THR 166 CO 0.01 -0.07 1.63 0.00 -2.21 0.00 0.00 174.62 173.98 1qmd n ALA 167 N 0.78 2.62 0.00 11.08 0.00 -1.26 -4.91 120.51 128.82 1qmd n ALA 167 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1qmd n ALA 167 Cb 0.58 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1qmd n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qmd n GLY 168 N 1.37 0.83 3.82 0.00 0.00 -1.26 -5.07 105.19 104.88 1qmd n GLY 168 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1qmd n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qmd s LYS 170 N -2.45 3.54 0.21 0.00 -0.14 -1.26 -4.67 119.74 114.97 1qmd s LYS 170 Ca 0.15 -0.19 0.14 0.00 -1.36 0.00 0.00 55.97 54.71 1qmd s LYS 170 Cb -0.05 -2.66 0.75 0.00 -1.68 0.00 0.00 37.83 34.19 1qmd s LYS 170 CO 0.11 0.18 1.42 0.25 -0.76 0.00 0.00 175.35 176.55 1qmd n THR 171 N -1.38 1.37 1.48 2.17 -2.24 0.36 -0.34 114.28 115.69 1qmd n THR 171 Ca -0.03 0.66 0.14 0.00 -2.27 0.00 0.00 64.05 62.54 1qmd n THR 171 Cb 0.55 -1.66 0.52 0.00 -2.10 0.00 0.00 70.33 67.65 1qmd n THR 171 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1qmd n ASN 172 N -1.99 1.47 -4.99 3.42 6.94 -1.26 -3.87 115.26 114.98 1qmd n ASN 172 Ca -0.01 -1.51 -0.20 0.00 -0.02 0.00 0.00 54.58 52.85 1qmd n ASN 172 Cb 0.03 -0.01 0.02 0.00 -2.36 0.00 0.00 39.78 37.46 1qmd n ASN 172 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1qmd s GLU 173 N -1.97 2.68 0.17 -3.83 2.02 0.54 -4.82 118.70 113.48 1qmd s GLU 173 Ca 0.38 -0.95 -0.26 0.00 0.02 0.00 0.00 54.97 54.16 1qmd s GLU 173 Cb 0.21 -2.60 0.02 0.00 0.10 0.00 0.00 34.13 31.85 1qmd s GLU 173 CO 0.33 -0.51 1.46 0.00 0.02 0.00 0.00 175.26 176.56 1qmd n ALA 174 N -2.13 -0.46 -0.13 5.21 0.00 -1.26 -1.37 120.51 120.36 1qmd n ALA 174 Ca 0.07 0.85 -0.06 0.00 0.00 0.00 0.00 53.44 54.30 1qmd n ALA 174 Cb 0.59 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1qmd n ALA 174 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1qmd h PHE 175 N 0.00 -0.75 -0.17 0.00 3.57 -1.95 -0.22 116.94 117.43 1qmd h PHE 175 Ca 0.20 0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.58 1qmd h PHE 175 Cb 0.44 0.39 0.01 0.00 2.79 0.00 0.00 35.95 39.58 1qmd h PHE 175 CO -0.93 -0.35 -0.59 1.88 -2.23 0.00 0.00 178.31 176.08 1qmd h TYR 176 N -0.20 0.92 -0.65 0.41 0.05 -1.73 -3.23 116.97 112.54 1qmd h TYR 176 Ca 0.19 -0.38 -0.06 0.00 0.05 0.00 0.00 58.73 58.53 1qmd h TYR 176 Cb 0.51 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 1qmd h TYR 176 CO -0.52 1.19 0.16 1.79 -1.05 0.00 0.00 178.16 179.73 1qmd h THR 177 N 0.39 1.25 -0.32 -2.88 1.35 -1.00 -2.68 112.91 109.02 1qmd h THR 177 Ca -0.03 -0.92 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 1qmd h THR 177 Cb 1.22 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 1qmd h THR 177 CO 0.13 0.35 0.10 0.44 -0.25 0.00 0.00 175.52 176.29 1qmd h ASP 178 N 0.98 0.41 0.23 5.36 5.19 -1.12 -2.40 116.42 125.08 1qmd h ASP 178 Ca 0.21 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.55 1qmd h ASP 178 Cb 0.34 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 1qmd h ASP 178 CO 0.00 0.40 -0.12 0.40 -3.12 0.00 0.00 179.24 176.80 1qmd h ILE 179 N 0.45 0.78 0.00 0.35 2.04 -1.49 -2.94 117.51 116.70 1qmd h ILE 179 Ca 0.11 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 1qmd h ILE 179 Cb 0.14 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1qmd h ILE 179 CO -0.01 0.12 -1.27 0.18 0.00 0.00 0.00 178.15 177.17 1qmd n LEU 180 N -3.94 0.78 -0.18 1.44 4.77 -0.91 -4.42 117.00 114.54 1qmd n LEU 180 Ca -0.02 0.32 -0.03 0.00 -0.03 0.00 0.00 56.01 56.24 1qmd n LEU 180 Cb 0.21 0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1qmd n LEU 180 CO 0.32 -0.03 1.02 0.11 -1.33 0.00 0.00 177.39 177.48 1qmd h LYS 181 N 0.00 0.47 -6.52 3.23 1.57 -1.38 -3.38 116.57 110.57 1qmd h LYS 181 Ca -0.08 -0.03 -0.55 0.00 -1.87 0.00 0.00 60.65 58.12 1qmd h LYS 181 Cb 1.26 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.40 1qmd h LYS 181 CO 0.02 0.31 1.02 1.21 -0.57 0.00 0.00 179.45 181.44 1qmd s ASN 182 N -5.48 6.34 0.49 0.86 3.84 -1.26 -4.86 114.94 114.87 1qmd s ASN 182 Ca -0.13 0.13 0.31 0.00 0.21 0.00 0.00 52.86 53.39 1qmd s ASN 182 Cb 0.14 -2.55 1.24 0.00 -0.55 0.00 0.00 41.25 39.53 1qmd s ASN 182 CO 0.74 -1.57 1.92 0.11 -2.79 0.00 0.00 177.10 175.50 1qmd h LYS 183 N 10.02 0.00 -5.72 0.43 1.57 -1.93 -3.39 116.57 117.55 1qmd h LYS 183 Ca -0.26 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.91 1qmd h LYS 183 Cb 1.07 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.25 1qmd h LYS 183 CO 1.19 0.00 0.81 0.34 -0.57 0.00 0.00 179.45 181.22 1qmd s ASP 184 N -5.45 6.25 0.13 0.86 -1.08 -1.26 -4.48 116.67 111.65 1qmd s ASP 184 Ca 0.02 -1.00 -0.19 0.00 -0.52 0.00 0.00 52.55 50.86 1qmd s ASP 184 Cb 0.09 -2.47 -0.01 0.00 -1.46 0.00 0.00 42.92 39.07 1qmd s ASP 184 CO 0.52 -1.52 1.72 0.15 0.52 0.00 0.00 175.17 176.57 1qmd h PHE 185 N 9.64 0.02 -0.85 -5.34 3.04 -1.81 -0.72 116.94 120.91 1qmd h PHE 185 Ca -0.19 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.76 1qmd h PHE 185 Cb 1.05 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.55 1qmd h PHE 185 CO 1.07 -0.02 0.46 -0.91 -2.02 0.00 0.00 178.31 176.88 1qmd h ASN 186 N 0.09 1.07 -0.38 0.41 -0.26 -1.91 0.40 115.58 115.02 1qmd h ASN 186 Ca 0.11 -0.10 -0.08 0.00 -0.56 0.00 0.00 56.30 55.67 1qmd h ASN 186 Cb 0.13 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1qmd h ASN 186 CO -0.18 0.87 -0.09 0.00 -1.06 0.00 0.00 177.43 176.97 1qmd h ALA 187 N 1.30 0.52 -0.13 -0.83 0.00 -1.91 -2.33 119.26 115.87 1qmd h ALA 187 Ca 0.30 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qmd h ALA 187 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1qmd h ALA 187 CO -0.05 0.38 0.07 2.35 0.00 0.00 0.00 179.25 182.00 1qmd h TRP 188 N 0.53 0.19 -0.46 0.00 7.01 -0.81 -3.03 115.95 119.38 1qmd h TRP 188 Ca 0.09 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.16 1qmd h TRP 188 Cb 0.61 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.55 1qmd h TRP 188 CO 0.05 0.22 0.13 1.03 -2.79 0.00 0.00 178.44 177.08 1qmd h SER 189 N 0.10 0.09 -0.02 2.65 0.87 -0.88 -0.07 113.55 116.29 1qmd h SER 189 Ca 0.05 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1qmd h SER 189 Cb 0.10 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 1qmd h SER 189 CO -0.01 0.08 -0.32 0.11 -0.53 0.00 0.00 176.83 176.16 1qmd h LYS 190 N 0.28 -0.45 -0.39 2.24 1.57 -1.33 0.18 116.57 118.68 1qmd h LYS 190 Ca 0.22 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1qmd h LYS 190 Cb 0.26 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1qmd h LYS 190 CO -0.26 -0.30 -0.20 1.49 -0.57 0.00 0.00 179.45 179.62 1qmd h GLU 191 N -0.46 0.82 0.37 3.15 4.81 -1.41 -1.91 114.58 119.96 1qmd h GLU 191 Ca 0.07 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1qmd h GLU 191 Cb 0.56 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1qmd h GLU 191 CO -0.28 1.00 -0.18 -0.92 -0.73 0.00 0.00 179.01 177.90 1qmd h TYR 192 N 0.63 -0.47 -0.54 0.92 3.20 -0.82 -2.61 116.97 117.28 1qmd h TYR 192 Ca 0.09 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 1qmd h TYR 192 Cb 0.75 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1qmd h TYR 192 CO 0.06 -0.21 0.01 0.00 -1.64 0.00 0.00 178.16 176.38 1qmd h ALA 193 N -0.06 1.01 -0.83 1.82 0.00 -0.71 -2.90 119.26 117.59 1qmd h ALA 193 Ca -0.05 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1qmd h ALA 193 Cb 0.46 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1qmd h ALA 193 CO 0.08 0.61 0.55 -0.09 0.00 0.00 0.00 179.25 180.40 1qmd h ARG 194 N 0.84 0.97 -0.45 0.00 2.43 -1.32 -0.91 114.38 115.94 1qmd h ARG 194 Ca 0.16 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1qmd h ARG 194 Cb 0.48 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1qmd h ARG 194 CO 0.02 0.64 0.29 0.78 -1.51 0.00 0.00 179.97 180.19 1qmd h GLY 195 N 1.00 0.64 1.03 2.80 0.00 -1.25 -0.34 103.07 106.96 1qmd h GLY 195 Ca 0.34 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.29 1qmd h GLY 195 CO -0.11 0.25 -0.28 0.74 0.00 0.00 0.00 176.54 177.14 1qmd h PHE 196 N 0.60 0.97 -0.65 5.60 0.04 -1.43 -2.73 116.94 119.34 1qmd h PHE 196 Ca 0.16 -0.27 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 1qmd h PHE 196 Cb -0.04 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 1qmd h PHE 196 CO -0.04 1.05 0.30 0.00 -0.60 0.00 0.00 178.31 179.02 1qmd h ALA 197 N 0.76 0.83 -0.38 2.45 0.00 -0.94 -1.19 119.26 120.79 1qmd h ALA 197 Ca 0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1qmd h ALA 197 Cb 0.85 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1qmd h ALA 197 CO 0.07 0.41 -0.10 0.87 0.00 0.00 0.00 179.25 180.50 1qmd h LYS 198 N 0.89 0.73 -0.50 0.00 1.57 -1.09 -1.21 116.57 116.96 1qmd h LYS 198 Ca 0.22 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1qmd h LYS 198 Cb 0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1qmd h LYS 198 CO -0.03 0.88 0.27 1.15 -0.57 0.00 0.00 179.45 181.16 1qmd h THR 199 N 0.53 1.16 -0.49 -0.16 2.02 -1.37 -1.02 112.91 113.57 1qmd h THR 199 Ca 0.09 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1qmd h THR 199 Cb 0.61 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1qmd h THR 199 CO 0.04 0.17 0.28 1.23 0.37 0.00 0.00 175.52 177.61 1qmd h GLY 200 N 0.77 0.73 1.01 2.16 0.00 -0.63 -0.38 103.07 106.73 1qmd h GLY 200 Ca 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1qmd h GLY 200 CO -0.03 0.31 0.37 1.70 0.00 0.00 0.00 176.54 178.89 1qmd h LYS 201 N 0.66 0.98 -0.32 4.80 3.64 -0.17 -1.04 116.57 125.12 1qmd h LYS 201 Ca 0.17 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1qmd h LYS 201 Cb 0.04 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1qmd h LYS 201 CO -0.03 0.75 0.20 0.77 -2.27 0.00 0.00 179.45 178.87 1qmd h SER 202 N 0.96 0.37 -0.02 4.20 0.02 -0.75 -1.99 113.55 116.35 1qmd h SER 202 Ca 0.24 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1qmd h SER 202 Cb 0.06 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1qmd h SER 202 CO -0.04 0.29 -0.05 0.40 -1.14 0.00 0.00 176.83 176.29 1qmd h ILE 203 N 0.42 1.12 -0.06 3.27 1.08 -0.80 -0.68 117.51 121.86 1qmd h ILE 203 Ca 0.11 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1qmd h ILE 203 Cb -0.02 1.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1qmd h ILE 203 CO -0.02 0.15 0.03 0.22 -0.69 0.00 0.00 178.15 177.84 1qmd h TYR 204 N 0.18 0.08 -0.21 1.37 3.20 -0.47 0.13 116.97 121.25 1qmd h TYR 204 Ca 0.04 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 1qmd h TYR 204 Cb 0.21 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1qmd h TYR 204 CO 0.00 0.18 -0.35 1.88 -1.64 0.00 0.00 178.16 178.23 1qmd h TYR 205 N -0.04 0.52 0.00 -3.82 0.05 -0.88 -0.36 116.97 112.45 1qmd h TYR 205 Ca 0.02 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1qmd h TYR 205 Cb 0.13 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1qmd h TYR 205 CO -0.03 0.74 -1.09 -1.13 -1.05 0.00 0.00 178.16 175.61 1qmd n SER 206 N -4.06 0.60 0.00 3.88 3.41 -0.32 -4.81 113.62 112.32 1qmd n SER 206 Ca -0.01 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1qmd n SER 206 Cb 0.47 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.23 1qmd n SER 206 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1qmd n HIS 207 N -2.11 0.00 0.74 7.33 8.25 0.34 -4.98 115.22 124.79 1qmd n HIS 207 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.59 1qmd n HIS 207 Cb 0.47 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.65 1qmd n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qmd n ALA 208 N -0.93 3.57 -0.99 -1.41 0.00 -0.43 -3.60 120.51 116.72 1qmd n ALA 208 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 1qmd n ALA 208 Cb 0.00 -1.00 0.13 0.00 0.00 0.00 0.00 19.45 18.58 1qmd n ALA 208 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qmd s SER 209 N -3.59 3.53 0.44 0.00 1.04 -0.16 -4.88 113.70 110.09 1qmd s SER 209 Ca 0.06 2.21 0.21 0.00 0.48 0.00 0.00 55.95 58.91 1qmd s SER 209 Cb 0.15 -2.57 1.17 0.00 0.10 0.00 0.00 66.02 64.87 1qmd s SER 209 CO 0.78 -2.70 1.84 -0.03 0.98 0.00 0.00 173.24 174.11 1qmd h MET 210 N -1.24 0.31 0.00 4.02 1.85 -1.93 -1.77 114.93 116.18 1qmd h MET 210 Ca -0.45 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.62 1qmd h MET 210 Cb 1.27 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.23 1qmd h MET 210 CO 0.45 0.21 0.00 -1.13 -0.40 0.00 0.00 176.91 176.04 1qmd n SER 211 N -4.48 0.35 -4.86 1.39 3.41 -1.26 -4.84 113.62 103.33 1qmd n SER 211 Ca 0.21 0.58 -0.31 0.00 -0.26 0.00 0.00 58.87 59.09 1qmd n SER 211 Cb 0.80 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1qmd n SER 211 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1qmd s HIS 212 N -3.15 3.50 1.07 7.33 3.76 -0.67 -5.07 115.29 122.06 1qmd s HIS 212 Ca 0.06 1.24 -0.12 0.00 -0.15 0.00 0.00 55.06 56.09 1qmd s HIS 212 Cb 0.10 -2.63 0.23 0.00 1.11 0.00 0.00 32.58 31.39 1qmd s HIS 212 CO 0.36 -0.35 1.06 -1.54 -0.85 0.00 0.00 174.74 173.42 1qmd s SER 213 N -3.42 1.91 0.29 1.40 1.04 -1.26 -4.82 113.70 108.83 1qmd s SER 213 Ca 0.55 1.42 0.04 0.00 0.48 0.00 0.00 55.95 58.43 1qmd s SER 213 Cb -0.10 -2.13 0.44 0.00 0.10 0.00 0.00 66.02 64.33 1qmd s SER 213 CO 0.37 -3.61 1.72 -0.50 0.98 0.00 0.00 173.24 172.20 1qmd h TRP 214 N -2.22 0.45 -0.77 5.02 -0.00 -1.97 -1.79 115.95 114.67 1qmd h TRP 214 Ca -0.57 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.89 58.20 1qmd h TRP 214 Cb 1.32 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 30.34 1qmd h TRP 214 CO 0.30 0.66 0.40 -0.44 -0.00 0.00 0.00 178.44 179.36 1qmd h ASP 215 N 0.34 0.98 -0.66 -3.49 3.32 -1.97 0.82 116.42 115.76 1qmd h ASP 215 Ca 0.05 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1qmd h ASP 215 Cb 0.71 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1qmd h ASP 215 CO 0.05 0.82 0.12 0.44 -1.72 0.00 0.00 179.24 178.95 1qmd h ASP 216 N 1.07 1.04 -0.38 6.45 3.32 -1.72 -2.38 116.42 123.83 1qmd h ASP 216 Ca 0.27 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1qmd h ASP 216 Cb 0.07 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1qmd h ASP 216 CO -0.04 1.03 0.15 -0.50 -1.72 0.00 0.00 179.24 178.16 1qmd h TRP 217 N 1.01 0.58 -0.35 4.55 4.06 -0.71 0.01 115.95 125.10 1qmd h TRP 217 Ca 0.20 -0.04 0.02 0.00 2.06 0.00 0.00 58.89 61.13 1qmd h TRP 217 Cb 0.42 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.38 1qmd h TRP 217 CO 0.03 0.52 0.18 0.22 -3.56 0.00 0.00 178.44 175.84 1qmd h ASP 218 N 0.47 0.27 -0.75 -3.49 3.58 -0.75 0.25 116.42 116.01 1qmd h ASP 218 Ca 0.13 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1qmd h ASP 218 Cb 0.19 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 1qmd h ASP 218 CO -0.01 0.20 0.43 0.22 -2.88 0.00 0.00 179.24 177.20 1qmd h TYR 219 N 0.37 1.00 -0.62 0.28 3.20 -1.23 -0.85 116.97 119.12 1qmd h TYR 219 Ca 0.15 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1qmd h TYR 219 Cb 0.05 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 1qmd h TYR 219 CO -0.09 0.69 0.21 0.00 -1.64 0.00 0.00 178.16 177.33 1qmd h ALA 220 N 1.23 0.81 -0.45 1.82 0.00 -0.30 -1.69 119.26 120.68 1qmd h ALA 220 Ca 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1qmd h ALA 220 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1qmd h ALA 220 CO -0.05 0.46 0.17 0.00 0.00 0.00 0.00 179.25 179.83 1qmd h ALA 221 N 1.08 0.58 0.19 0.00 0.00 -0.65 -1.51 119.26 118.95 1qmd h ALA 221 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qmd h ALA 221 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1qmd h ALA 221 CO -0.01 0.20 -0.16 -0.22 0.00 0.00 0.00 179.25 179.06 1qmd h LYS 222 N 0.58 -0.36 -0.06 0.00 3.64 -0.91 0.62 116.57 120.09 1qmd h LYS 222 Ca 0.15 0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.37 1qmd h LYS 222 Cb 0.21 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1qmd h LYS 222 CO -0.01 -0.24 -0.74 -0.39 -2.27 0.00 0.00 179.45 175.80 1qmd h VAL 223 N -0.37 1.41 0.00 2.00 -1.51 -1.30 -2.05 116.25 114.42 1qmd h VAL 223 Ca -0.00 -2.22 -0.17 0.00 -1.23 0.00 0.00 66.70 63.08 1qmd h VAL 223 Cb 0.34 2.17 -0.02 0.00 -2.13 0.00 0.00 31.29 31.65 1qmd h VAL 223 CO -0.03 0.66 -0.81 0.71 -1.23 0.00 0.00 177.57 176.87 1qmd h THR 224 N 0.22 1.44 -0.06 7.19 1.35 -1.23 -2.08 112.91 119.74 1qmd h THR 224 Ca -0.03 -2.93 -0.18 0.00 -0.55 0.00 0.00 66.41 62.71 1qmd h THR 224 Cb 1.31 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 70.37 1qmd h THR 224 CO 0.12 0.80 -0.75 -0.07 -0.25 0.00 0.00 175.52 175.37 1qmd h LEU 225 N 0.00 0.43 -0.34 3.87 3.38 -0.90 0.14 115.31 121.90 1qmd h LEU 225 Ca -0.01 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1qmd h LEU 225 Cb 1.58 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1qmd h LEU 225 CO 0.11 1.04 0.10 0.00 0.09 0.00 0.00 178.44 179.77 1qmd h ALA 226 N 0.95 0.44 -0.78 1.53 0.00 -1.35 -0.57 119.26 119.49 1qmd h ALA 226 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qmd h ALA 226 Cb 1.33 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1qmd h ALA 226 CO 0.13 0.09 0.49 -0.91 0.00 0.00 0.00 179.25 179.05 1qmd h ASN 227 N 0.39 0.92 -0.42 0.00 2.35 -1.22 -0.11 115.58 117.49 1qmd h ASN 227 Ca 0.11 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1qmd h ASN 227 Cb 0.27 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1qmd h ASN 227 CO -0.00 0.69 0.15 0.28 -1.65 0.00 0.00 177.43 176.90 1qmd h SER 228 N 1.06 0.59 0.04 5.81 0.02 -0.43 0.19 113.55 120.84 1qmd h SER 228 Ca 0.28 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1qmd h SER 228 Cb -0.08 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1qmd h SER 228 CO -0.06 0.62 -0.02 1.56 -1.14 0.00 0.00 176.83 177.79 1qmd h GLN 229 N 0.53 -0.06 0.04 3.45 4.20 -0.83 0.41 115.11 122.85 1qmd h GLN 229 Ca 0.14 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1qmd h GLN 229 Cb 0.22 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1qmd h GLN 229 CO -0.01 0.18 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.03 1qmd h LYS 230 N -0.29 -0.15 -0.75 1.46 3.64 -0.98 -0.04 116.57 119.46 1qmd h LYS 230 Ca -0.01 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1qmd h LYS 230 Cb 0.26 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1qmd h LYS 230 CO 0.01 -0.10 0.46 0.78 -2.27 0.00 0.00 179.45 178.33 1qmd h GLY 231 N -0.15 1.11 0.97 5.01 0.00 -0.58 -0.55 103.07 108.87 1qmd h GLY 231 Ca 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1qmd h GLY 231 CO -0.05 0.25 0.23 -0.84 0.00 0.00 0.00 176.54 176.13 1qmd h THR 232 N 0.86 1.17 -0.94 4.70 2.02 -0.51 -1.55 112.91 118.66 1qmd h THR 232 Ca 0.32 -0.45 0.07 0.00 0.77 0.00 0.00 66.41 67.12 1qmd h THR 232 Cb 0.11 0.66 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 1qmd h THR 232 CO -0.15 0.18 0.60 0.00 0.37 0.00 0.00 175.52 176.52 1qmd h ALA 233 N 1.08 1.31 -0.74 6.16 0.00 -0.32 -0.19 119.26 126.55 1qmd h ALA 233 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1qmd h ALA 233 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1qmd h ALA 233 CO -0.02 0.36 0.35 0.78 0.00 0.00 0.00 179.25 180.72 1qmd h GLY 234 N 1.08 1.15 1.12 0.00 0.00 -0.34 -0.46 103.07 105.62 1qmd h GLY 234 Ca 0.41 -0.58 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 1qmd h GLY 234 CO -0.18 0.55 -0.23 -0.97 0.00 0.00 0.00 176.54 175.71 1qmd h TYR 235 N 1.04 1.16 -0.60 5.60 0.05 -0.36 -2.27 116.97 121.58 1qmd h TYR 235 Ca 0.25 -0.29 -0.08 0.00 0.05 0.00 0.00 58.73 58.67 1qmd h TYR 235 Cb 0.13 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 1qmd h TYR 235 CO 0.01 1.12 0.07 0.82 -1.05 0.00 0.00 178.16 179.13 1qmd h ILE 236 N 0.86 1.26 -0.23 -2.88 2.04 -0.78 -1.10 117.51 116.68 1qmd h ILE 236 Ca 0.11 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1qmd h ILE 236 Cb 0.81 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1qmd h ILE 236 CO 0.07 0.38 0.13 0.22 0.00 0.00 0.00 178.15 178.94 1qmd h TYR 237 N 0.94 0.31 -0.79 1.37 3.20 -0.98 0.12 116.97 121.14 1qmd h TYR 237 Ca 0.18 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1qmd h TYR 237 Cb 0.45 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1qmd h TYR 237 CO 0.03 0.27 0.39 -0.09 -1.64 0.00 0.00 178.16 177.12 1qmd h ARG 238 N 0.26 1.12 -0.13 1.82 9.65 -1.22 -1.49 114.38 124.39 1qmd h ARG 238 Ca 0.08 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1qmd h ARG 238 Cb 0.06 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 1qmd h ARG 238 CO -0.01 0.85 0.06 0.35 2.80 0.00 0.00 179.97 184.02 1qmd h PHE 239 N 1.12 0.20 -0.34 2.20 3.57 -0.77 0.79 116.94 123.71 1qmd h PHE 239 Ca 0.27 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.81 1qmd h PHE 239 Cb 0.09 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1qmd h PHE 239 CO 0.01 0.26 0.06 -0.07 -2.23 0.00 0.00 178.31 176.35 1qmd h LEU 240 N 0.07 0.01 -0.77 0.59 3.38 -0.67 0.13 115.31 118.06 1qmd h LEU 240 Ca 0.05 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1qmd h LEU 240 Cb 0.15 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1qmd h LEU 240 CO -0.00 0.04 -0.20 0.45 0.09 0.00 0.00 178.44 178.82 1qmd h HIS 241 N 0.18 0.81 -0.47 1.13 3.86 -1.15 -1.13 115.15 118.38 1qmd h HIS 241 Ca 0.16 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1qmd h HIS 241 Cb 0.18 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1qmd h HIS 241 CO -0.18 0.86 0.04 -0.44 0.86 0.00 0.00 177.93 179.06 1qmd h ASP 242 N 0.64 0.78 1.31 2.45 3.32 -0.22 -1.58 116.42 123.12 1qmd h ASP 242 Ca 0.09 -0.29 -0.13 0.00 0.02 0.00 0.00 57.03 56.73 1qmd h ASP 242 Cb 0.69 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1qmd h ASP 242 CO 0.05 0.87 -0.70 -0.37 -1.72 0.00 0.00 179.24 177.37 1qmd h VAL 243 N 0.66 0.91 0.05 -1.35 -1.51 -0.96 0.35 116.25 114.40 1qmd h VAL 243 Ca 0.14 -2.33 -0.15 0.00 -1.23 0.00 0.00 66.70 63.13 1qmd h VAL 243 Cb 0.45 2.42 0.01 0.00 -2.13 0.00 0.00 31.29 32.04 1qmd h VAL 243 CO 0.02 0.52 -0.62 0.28 -1.23 0.00 0.00 177.57 176.54 1qmd h SER 244 N 0.00 0.46 -0.42 4.19 0.02 -1.16 -3.28 113.55 113.35 1qmd h SER 244 Ca -0.03 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 1qmd h SER 244 Cb 1.46 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1qmd h SER 244 CO 0.07 1.25 0.00 -0.62 -1.14 0.00 0.00 176.83 176.39 1qmd n GLU 245 N -4.23 3.04 -4.00 3.45 1.02 -0.60 -4.94 120.64 114.38 1qmd n GLU 245 Ca -0.12 -1.96 -0.29 0.00 -0.02 0.00 0.00 57.16 54.78 1qmd n GLU 245 Cb 0.70 -1.77 -0.01 0.00 -0.02 0.00 0.00 31.44 30.34 1qmd n GLU 245 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qmd n GLY 246 N 0.73 -0.34 3.73 0.62 0.00 -1.11 -4.93 105.19 103.90 1qmd n GLY 246 Ca 0.18 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 1qmd n GLY 246 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qmd s ASN 247 N -3.88 7.45 -0.21 1.61 -0.87 0.12 -5.02 114.94 114.14 1qmd s ASN 247 Ca 0.33 1.90 0.02 0.00 -1.57 0.00 0.00 52.86 53.53 1qmd s ASN 247 Cb -0.17 -2.60 0.04 0.00 -0.02 0.00 0.00 41.25 38.50 1qmd s ASN 247 CO 0.88 -0.08 -0.15 -0.62 -2.57 0.00 0.00 177.10 174.56 1qmd s ASP 248 N -0.17 3.57 0.45 -1.22 2.15 -1.26 -4.82 116.67 115.37 1qmd s ASP 248 Ca 0.47 -0.92 0.25 0.00 0.43 0.00 0.00 52.55 52.78 1qmd s ASP 248 Cb -0.25 -1.43 0.72 0.00 -0.30 0.00 0.00 42.92 41.65 1qmd s ASP 248 CO 0.31 -0.09 1.74 1.55 -0.17 0.00 0.00 175.17 178.51 1qmd h PRO 249 N 7.90 0.00 0.00 4.34 0.13 -1.80 -3.26 132.00 139.31 1qmd h PRO 249 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1qmd h PRO 249 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qmd h PRO 249 CO 0.54 0.11 0.00 -1.13 -0.23 0.00 0.00 178.00 177.29 1qmd n SER 250 N -3.17 0.00 -2.52 1.44 3.41 -1.03 -4.60 113.62 107.15 1qmd n SER 250 Ca 0.02 0.46 -0.17 0.00 -0.26 0.00 0.00 58.87 58.92 1qmd n SER 250 Cb 0.47 -0.48 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 1qmd n SER 250 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1qmd n VAL 251 N -1.48 0.00 -1.20 -3.33 0.24 -1.23 -1.95 118.33 109.37 1qmd n VAL 251 Ca 0.06 -0.17 -0.08 0.00 -2.04 0.00 0.00 64.34 62.11 1qmd n VAL 251 Cb 0.25 -0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.47 1qmd n VAL 251 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qmd n GLY 252 N 3.30 0.74 3.93 7.63 0.00 -1.26 -4.99 105.19 114.54 1qmd n GLY 252 Ca 0.38 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 1qmd n GLY 252 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qmd s LYS 253 N -2.61 3.51 0.44 1.61 -2.85 -0.82 -5.05 119.74 113.97 1qmd s LYS 253 Ca 0.00 -0.34 -0.25 0.00 -1.00 0.00 0.00 55.97 54.38 1qmd s LYS 253 Cb 0.00 -2.75 -0.09 0.00 -2.06 0.00 0.00 37.83 32.93 1qmd s LYS 253 CO 0.00 0.28 1.36 0.09 0.10 0.00 0.00 175.35 177.19 1qmd n ASN 254 N -1.21 3.00 -4.36 0.03 3.02 -1.26 -4.58 115.26 109.90 1qmd n ASN 254 Ca -0.05 1.12 -0.45 0.00 -0.03 0.00 0.00 54.58 55.17 1qmd n ASN 254 Cb 0.55 -1.56 -0.04 0.00 -0.61 0.00 0.00 39.78 38.12 1qmd n ASN 254 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qmd s VAL 255 N -1.19 4.97 0.05 2.41 1.01 0.19 -4.87 120.40 122.96 1qmd s VAL 255 Ca 0.61 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1qmd s VAL 255 Cb -0.47 -4.47 -0.24 0.00 0.00 0.00 0.00 36.38 31.19 1qmd s VAL 255 CO 0.58 -1.08 1.03 0.11 0.00 0.00 0.00 175.10 175.74 1qmd h LYS 256 N 8.98 0.12 -4.16 2.72 1.79 -1.88 -3.43 116.57 120.71 1qmd h LYS 256 Ca -0.24 -0.20 -0.11 0.00 -2.18 0.00 0.00 60.65 57.92 1qmd h LYS 256 Cb 1.08 0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 31.66 1qmd h LYS 256 CO 1.06 0.99 -0.62 -1.21 -1.08 0.00 0.00 179.45 178.58 1qmd s GLU 257 N -2.66 0.65 0.01 3.15 2.02 -1.26 -1.61 118.70 119.00 1qmd s GLU 257 Ca -0.04 -1.17 0.05 0.00 0.02 0.00 0.00 54.97 53.83 1qmd s GLU 257 Cb 0.08 0.23 -0.02 0.00 0.10 0.00 0.00 34.13 34.53 1qmd s GLU 257 CO 0.84 -0.14 -0.15 -1.17 0.02 0.00 0.00 175.26 174.66 1qmd s LEU 258 N -2.90 2.10 -0.13 1.80 2.96 -0.42 -4.54 118.68 117.54 1qmd s LEU 258 Ca 0.07 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1qmd s LEU 258 Cb 0.07 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 46.04 1qmd s LEU 258 CO -0.10 0.13 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.20 1qmd s VAL 259 N -0.58 1.72 -0.22 1.68 1.01 -0.48 -0.36 120.40 123.18 1qmd s VAL 259 Ca 0.05 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1qmd s VAL 259 Cb -0.07 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1qmd s VAL 259 CO 0.00 0.48 0.11 0.00 0.00 0.00 0.00 175.10 175.70 1qmd s ALA 260 N 1.07 3.48 -0.39 5.51 0.00 0.02 -0.51 121.76 130.93 1qmd s ALA 260 Ca -0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1qmd s ALA 260 Cb -0.14 -2.13 0.10 0.00 0.00 0.00 0.00 23.12 20.95 1qmd s ALA 260 CO -0.05 -0.06 0.17 -0.47 0.00 0.00 0.00 175.76 175.36 1qmd s TYR 261 N 0.81 3.58 -0.24 0.00 5.04 -0.03 -1.16 117.35 125.36 1qmd s TYR 261 Ca 0.06 -2.42 -0.08 0.00 -2.44 0.00 0.00 57.07 52.18 1qmd s TYR 261 Cb -0.13 -3.11 -0.04 0.00 0.35 0.00 0.00 41.96 39.03 1qmd s TYR 261 CO 0.02 -0.96 0.10 0.42 -1.34 0.00 0.00 175.55 173.80 1qmd s ILE 262 N 1.13 4.72 -0.38 3.14 1.01 0.55 -1.42 121.20 129.95 1qmd s ILE 262 Ca 0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 1qmd s ILE 262 Cb -0.22 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.07 1qmd s ILE 262 CO -0.04 0.35 0.25 -0.44 0.00 0.00 0.00 174.94 175.06 1qmd s SER 263 N 1.26 5.92 0.17 3.58 0.01 0.00 -0.47 113.70 124.18 1qmd s SER 263 Ca 0.05 -0.87 -0.29 0.00 1.31 0.00 0.00 55.95 56.16 1qmd s SER 263 Cb -0.14 -2.09 -0.07 0.00 0.21 0.00 0.00 66.02 63.92 1qmd s SER 263 CO 0.04 -0.39 0.90 -0.89 0.41 0.00 0.00 173.24 173.32 1qmd s THR 264 N 1.63 4.32 0.54 1.44 2.01 0.27 -0.01 115.64 125.84 1qmd s THR 264 Ca 0.04 1.97 -0.21 0.00 0.31 0.00 0.00 61.69 63.80 1qmd s THR 264 Cb -0.19 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 67.99 1qmd s THR 264 CO 0.09 0.43 1.04 -0.24 -0.69 0.00 0.00 174.62 175.25 1qmd n SER 265 N 2.04 1.22 0.00 3.53 2.88 -0.46 -3.04 113.62 119.79 1qmd n SER 265 Ca -0.01 0.90 0.13 0.00 -1.33 0.00 0.00 58.87 58.55 1qmd n SER 265 Cb 0.48 -1.41 0.60 0.00 -0.75 0.00 0.00 64.21 63.13 1qmd n SER 265 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qmd n GLY 266 N 1.17 -1.39 3.63 0.46 0.00 -1.26 -1.31 105.19 106.49 1qmd n GLY 266 Ca 0.12 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1qmd n GLY 266 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qmd n GLU 267 N -1.46 1.01 -1.66 1.61 1.02 -1.26 -4.66 120.64 115.23 1qmd n GLU 267 Ca 0.08 0.39 -0.46 0.00 -0.02 0.00 0.00 57.16 57.15 1qmd n GLU 267 Cb 0.30 -2.22 -0.03 0.00 -0.02 0.00 0.00 31.44 29.47 1qmd n GLU 267 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1qmd n LYS 268 N -0.99 1.97 -1.23 3.49 3.00 -1.26 -1.61 118.16 121.52 1qmd n LYS 268 Ca 0.13 0.70 -0.08 0.00 -0.00 0.00 0.00 58.31 59.06 1qmd n LYS 268 Cb 0.47 -2.37 -0.03 0.00 0.00 0.00 0.00 35.03 33.09 1qmd n LYS 268 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1qmd n ASP 269 N 2.40 -5.32 0.04 3.14 8.00 -1.26 -4.87 116.55 118.69 1qmd n ASP 269 Ca 0.13 0.20 0.03 0.00 0.71 0.00 0.00 54.79 55.86 1qmd n ASP 269 Cb 0.30 -3.52 0.39 0.00 -0.02 0.00 0.00 41.12 38.27 1qmd n ASP 269 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qmd h ALA 270 N 0.00 1.58 -1.99 2.24 0.00 -1.56 -3.44 119.26 116.09 1qmd h ALA 270 Ca -0.16 -0.11 -0.41 0.00 0.00 0.00 0.00 54.91 54.22 1qmd h ALA 270 Cb 0.97 -0.13 0.19 0.00 0.00 0.00 0.00 17.79 18.82 1qmd h ALA 270 CO 0.24 0.32 0.14 0.20 0.00 0.00 0.00 179.25 180.16 1qmd s GLY 271 N -3.83 1.60 -0.03 0.00 0.00 -1.26 -0.13 107.32 103.66 1qmd s GLY 271 Ca -0.07 -1.00 -0.24 0.00 0.00 0.00 0.00 44.72 43.41 1qmd s GLY 271 CO 0.74 -0.10 0.52 -1.08 0.00 0.00 0.00 173.10 173.18 1qmd s THR 272 N -3.06 0.02 -1.58 0.90 -1.32 0.12 -4.53 115.64 106.20 1qmd s THR 272 Ca 0.71 -0.20 0.16 0.00 -1.21 0.00 0.00 61.69 61.15 1qmd s THR 272 Cb -0.09 -0.84 0.32 0.00 -1.51 0.00 0.00 72.50 70.38 1qmd s THR 272 CO 0.56 -0.11 1.23 0.47 -2.21 0.00 0.00 174.62 174.55 1qmd n ASP 273 N 1.04 2.94 -4.84 8.08 8.00 -1.26 -4.58 116.55 125.93 1qmd n ASP 273 Ca -0.20 -1.87 -0.32 0.00 0.71 0.00 0.00 54.79 53.11 1qmd n ASP 273 Cb 0.57 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1qmd n ASP 273 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1qmd s ASP 274 N -1.13 6.15 0.28 -2.24 1.01 -1.26 -4.74 116.67 114.75 1qmd s ASP 274 Ca 0.28 1.58 -0.30 0.00 0.71 0.00 0.00 52.55 54.82 1qmd s ASP 274 Cb 0.16 -2.50 -0.11 0.00 1.01 0.00 0.00 42.92 41.48 1qmd s ASP 274 CO 0.22 -0.91 1.51 -0.31 0.21 0.00 0.00 175.17 175.89 1qmd s TYR 275 N -2.81 2.85 -0.04 4.23 2.02 -0.39 -4.85 117.35 118.35 1qmd s TYR 275 Ca 0.59 0.93 0.04 0.00 -0.37 0.00 0.00 57.07 58.26 1qmd s TYR 275 Cb -0.12 -3.95 -0.00 0.00 -0.40 0.00 0.00 41.96 37.48 1qmd s TYR 275 CO 0.42 -3.12 -0.17 -1.64 -1.57 0.00 0.00 175.55 169.48 1qmd s MET 276 N -0.63 1.69 0.15 -0.62 -1.94 -1.26 -1.10 119.30 115.59 1qmd s MET 276 Ca 0.60 -0.60 0.05 0.00 -1.71 0.00 0.00 55.69 54.04 1qmd s MET 276 Cb -0.45 -1.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 1qmd s MET 276 CO 0.47 0.26 -0.12 0.71 -0.01 0.00 0.00 175.02 176.33 1qmd s TYR 277 N -0.02 1.37 0.03 -0.03 1.51 0.82 -0.79 117.35 120.24 1qmd s TYR 277 Ca -0.02 -0.66 0.06 0.00 -1.01 0.00 0.00 57.07 55.44 1qmd s TYR 277 Cb -0.11 -0.69 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1qmd s TYR 277 CO 0.02 0.15 -0.17 0.12 -1.11 0.00 0.00 175.55 174.55 1qmd s PHE 278 N -2.87 1.51 0.12 2.71 5.36 -0.24 -0.52 117.98 124.04 1qmd s PHE 278 Ca 0.15 -0.34 -0.12 0.00 -0.96 0.00 0.00 56.93 55.66 1qmd s PHE 278 Cb -0.00 -0.92 0.01 0.00 -0.34 0.00 0.00 43.02 41.77 1qmd s PHE 278 CO 0.02 0.04 0.29 0.20 -1.46 0.00 0.00 175.22 174.32 1qmd s GLY 279 N -0.97 -0.00 0.10 13.12 0.00 -0.07 -0.01 107.32 119.49 1qmd s GLY 279 Ca 0.05 -0.43 0.02 0.00 0.00 0.00 0.00 44.72 44.36 1qmd s GLY 279 CO 0.01 -0.60 -0.07 -0.26 0.00 0.00 0.00 173.10 172.18 1qmd s ILE 280 N -3.85 0.73 -0.05 0.90 -4.36 -0.42 -0.80 121.20 113.34 1qmd s ILE 280 Ca 0.06 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 1qmd s ILE 280 Cb 0.03 -1.65 0.02 0.00 1.25 0.00 0.00 42.46 42.11 1qmd s ILE 280 CO -0.10 -0.84 -0.05 -0.75 0.24 0.00 0.00 174.94 173.45 1qmd s LYS 281 N -3.73 0.88 0.63 0.37 2.20 -0.60 -2.17 119.74 117.31 1qmd s LYS 281 Ca 0.11 -0.11 -0.06 0.00 -0.36 0.00 0.00 55.97 55.56 1qmd s LYS 281 Cb 0.04 -0.90 0.03 0.00 -1.51 0.00 0.00 37.83 35.49 1qmd s LYS 281 CO -0.04 -0.10 0.94 0.95 -0.36 0.00 0.00 175.35 176.74 1qmd s THR 282 N 1.01 3.05 0.47 3.43 -4.23 0.10 -1.45 115.64 118.02 1qmd s THR 282 Ca -0.09 -0.14 0.17 0.00 -1.18 0.00 0.00 61.69 60.44 1qmd s THR 282 Cb -0.14 -3.25 0.34 0.00 1.34 0.00 0.00 72.50 70.79 1qmd s THR 282 CO -0.00 -0.25 2.01 0.50 -0.54 0.00 0.00 174.62 176.33 1qmd h LYS 283 N -0.33 0.26 -0.38 3.99 3.11 -1.05 -0.31 116.57 121.86 1qmd h LYS 283 Ca -0.45 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1qmd h LYS 283 Cb 1.28 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1qmd h LYS 283 CO 0.60 0.17 0.00 -0.25 -2.81 0.00 0.00 179.45 177.16 1qmd n ASP 284 N -4.46 1.83 0.00 4.20 8.00 -1.26 -4.91 116.55 119.95 1qmd n ASP 284 Ca 0.08 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.53 1qmd n ASP 284 Cb 0.38 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1qmd n ASP 284 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qmd n GLY 285 N 0.90 0.77 3.79 0.44 0.00 -0.13 -5.05 105.19 105.91 1qmd n GLY 285 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1qmd n GLY 285 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qmd s LYS 286 N -0.41 4.44 0.07 1.61 1.02 -1.26 -4.78 119.74 120.43 1qmd s LYS 286 Ca 0.00 1.29 0.05 0.00 0.02 0.00 0.00 55.97 57.33 1qmd s LYS 286 Cb 0.00 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1qmd s LYS 286 CO 0.00 0.14 -0.13 0.95 -0.92 0.00 0.00 175.35 175.39 1qmd s THR 287 N -1.77 1.02 -0.08 2.17 -4.23 -1.26 0.02 115.64 111.50 1qmd s THR 287 Ca 0.54 -1.27 -0.06 0.00 -1.18 0.00 0.00 61.69 59.72 1qmd s THR 287 Cb -0.16 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.70 1qmd s THR 287 CO 0.21 -0.25 0.20 -1.58 -0.54 0.00 0.00 174.62 172.66 1qmd s GLN 288 N -1.73 0.21 0.09 3.99 0.74 -0.92 -5.00 119.66 117.03 1qmd s GLN 288 Ca -0.03 0.35 0.08 0.00 0.05 0.00 0.00 55.36 55.81 1qmd s GLN 288 Cb -0.10 0.02 -0.03 0.00 1.10 0.00 0.00 33.01 34.00 1qmd s GLN 288 CO 0.02 -0.08 -0.20 -2.00 -0.55 0.00 0.00 175.29 172.48 1qmd s GLU 289 N 0.52 1.14 0.06 1.67 2.12 -1.26 -1.31 118.70 121.64 1qmd s GLU 289 Ca -0.03 -1.10 0.05 0.00 0.36 0.00 0.00 54.97 54.25 1qmd s GLU 289 Cb -0.05 -1.35 -0.03 0.00 0.26 0.00 0.00 34.13 32.97 1qmd s GLU 289 CO -0.03 0.32 -0.13 -1.58 -0.54 0.00 0.00 175.26 173.30 1qmd s TRP 290 N -1.10 1.14 -0.04 5.30 0.51 0.99 -4.74 118.94 121.01 1qmd s TRP 290 Ca 0.06 -0.43 -0.25 0.00 -2.12 0.00 0.00 56.10 53.36 1qmd s TRP 290 Cb -0.10 -0.65 -0.04 0.00 -0.81 0.00 0.00 33.47 31.87 1qmd s TRP 290 CO 0.04 0.03 0.75 -1.21 -0.51 0.00 0.00 176.95 176.05 1qmd s GLU 291 N -1.55 4.46 -0.88 4.98 2.02 0.80 -1.08 118.70 127.45 1qmd s GLU 291 Ca -0.02 0.98 -0.16 0.00 0.02 0.00 0.00 54.97 55.80 1qmd s GLU 291 Cb -0.09 -3.43 0.19 0.00 0.10 0.00 0.00 34.13 30.89 1qmd s GLU 291 CO 0.02 0.10 0.92 -1.64 0.02 0.00 0.00 175.26 174.68 1qmd s MET 292 N 0.65 3.64 -0.12 1.61 -1.94 0.03 -3.19 119.30 119.98 1qmd s MET 292 Ca 0.39 -2.24 -0.04 0.00 -1.71 0.00 0.00 55.69 52.09 1qmd s MET 292 Cb -0.19 -4.62 0.06 0.00 2.01 0.00 0.00 34.83 32.09 1qmd s MET 292 CO 0.20 -1.47 0.17 0.34 -0.01 0.00 0.00 175.02 174.25 1qmd s ASP 293 N 2.67 1.04 0.34 3.03 2.15 -1.26 -4.63 116.67 120.01 1qmd s ASP 293 Ca 0.24 0.13 0.08 0.00 0.43 0.00 0.00 52.55 53.43 1qmd s ASP 293 Cb -0.08 0.25 -0.03 0.00 -0.30 0.00 0.00 42.92 42.75 1qmd s ASP 293 CO -0.09 -0.27 0.23 0.20 -0.17 0.00 0.00 175.17 175.07 1qmd s ASN 294 N 2.28 5.01 0.40 -0.34 0.01 -1.26 -4.66 114.94 116.39 1qmd s ASN 294 Ca 0.04 -0.63 0.20 0.00 -0.71 0.00 0.00 52.86 51.76 1qmd s ASN 294 Cb -0.13 -0.84 1.15 0.00 0.41 0.00 0.00 41.25 41.84 1qmd s ASN 294 CO -0.07 -0.35 1.74 -0.65 -1.51 0.00 0.00 177.10 176.26 1qmd h PRO 295 N 1.36 0.33 0.00 -0.60 0.11 -2.01 -3.44 132.00 127.76 1qmd h PRO 295 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qmd h PRO 295 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1qmd h PRO 295 CO 0.60 0.22 0.00 0.41 -0.21 0.00 0.00 178.00 179.02 1qmd n GLY 296 N -1.47 1.29 3.51 -0.55 0.00 -1.26 -5.00 105.19 101.71 1qmd n GLY 296 Ca 0.28 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 1qmd n GLY 296 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qmd s ASN 297 N -1.00 6.32 0.57 1.61 3.84 -0.56 -5.04 114.94 120.68 1qmd s ASN 297 Ca 0.00 -0.45 -0.17 0.00 0.21 0.00 0.00 52.86 52.45 1qmd s ASN 297 Cb 0.00 -2.41 -0.05 0.00 -0.55 0.00 0.00 41.25 38.24 1qmd s ASN 297 CO 0.00 -1.17 1.04 -1.81 -2.79 0.00 0.00 177.10 172.37 1qmd s ASP 298 N 2.83 5.99 -1.31 -4.21 1.01 -1.26 -4.28 116.67 115.44 1qmd s ASP 298 Ca 0.28 1.80 -0.14 0.00 0.71 0.00 0.00 52.55 55.20 1qmd s ASP 298 Cb -0.14 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.27 1qmd s ASP 298 CO 0.18 -1.03 0.52 0.49 0.21 0.00 0.00 175.17 175.54 1qmd n PHE 299 N -1.80 -1.59 -2.18 4.23 3.72 -1.26 -4.60 117.46 113.98 1qmd n PHE 299 Ca 0.09 0.48 -0.31 0.00 -0.05 0.00 0.00 57.45 57.66 1qmd n PHE 299 Cb 0.53 -3.28 -0.00 0.00 -0.94 0.00 0.00 39.48 35.79 1qmd n PHE 299 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1qmd s MET 300 N -6.74 3.68 0.11 -1.08 -1.94 -1.26 -0.70 119.30 111.36 1qmd s MET 300 Ca 0.25 0.69 -0.33 0.00 -1.71 0.00 0.00 55.69 54.59 1qmd s MET 300 Cb -0.11 -2.16 -0.13 0.00 2.01 0.00 0.00 34.83 34.44 1qmd s MET 300 CO 0.92 -0.41 1.69 2.41 -0.01 0.00 0.00 175.02 179.62 1qmd n THR 301 N -2.30 0.17 -0.94 2.05 -1.04 -1.26 -1.97 114.28 108.99 1qmd n THR 301 Ca 0.05 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1qmd n THR 301 Cb 0.54 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 1qmd n THR 301 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qmd n GLY 302 N 3.79 0.61 3.83 3.41 0.00 -0.43 -4.92 105.19 111.48 1qmd n GLY 302 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1qmd n GLY 302 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qmd s SER 303 N -2.44 6.40 -0.40 1.61 1.04 -0.83 -4.74 113.70 114.33 1qmd s SER 303 Ca 0.00 1.62 0.01 0.00 0.48 0.00 0.00 55.95 58.06 1qmd s SER 303 Cb 0.00 -2.51 0.11 0.00 0.10 0.00 0.00 66.02 63.72 1qmd s SER 303 CO 0.00 -0.74 0.15 -0.54 0.98 0.00 0.00 173.24 173.09 1qmd s LYS 304 N -4.13 1.80 0.06 4.02 3.01 -0.29 -0.57 119.74 123.65 1qmd s LYS 304 Ca 0.60 -1.95 0.01 0.00 -1.01 0.00 0.00 55.97 53.61 1qmd s LYS 304 Cb -0.11 -3.41 -0.04 0.00 -1.01 0.00 0.00 37.83 33.26 1qmd s LYS 304 CO 0.34 -1.02 0.17 -0.51 0.51 0.00 0.00 175.35 174.83 1qmd s ASP 305 N 1.19 6.12 -0.06 2.83 1.01 0.38 -4.75 116.67 123.39 1qmd s ASP 305 Ca 0.11 0.19 0.06 0.00 0.71 0.00 0.00 52.55 53.62 1qmd s ASP 305 Cb -0.21 -1.82 -0.01 0.00 1.01 0.00 0.00 42.92 41.89 1qmd s ASP 305 CO -0.06 0.18 -0.23 -0.89 0.21 0.00 0.00 175.17 174.38 1qmd s THR 306 N -1.46 1.93 -0.06 -1.27 2.01 -1.26 -0.33 115.64 115.20 1qmd s THR 306 Ca 0.33 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.34 1qmd s THR 306 Cb -0.13 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.76 1qmd s THR 306 CO 0.26 0.54 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.36 1qmd s TYR 307 N -0.06 0.89 -0.23 4.92 2.02 -0.31 -4.90 117.35 119.68 1qmd s TYR 307 Ca -0.05 -0.29 -0.07 0.00 -0.37 0.00 0.00 57.07 56.28 1qmd s TYR 307 Cb -0.14 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.60 1qmd s TYR 307 CO 0.04 -0.25 0.07 0.99 -1.57 0.00 0.00 175.55 174.83 1qmd s THR 308 N 1.10 4.42 -0.14 -0.71 2.01 -1.25 -0.80 115.64 120.26 1qmd s THR 308 Ca -0.08 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.76 1qmd s THR 308 Cb -0.14 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 1qmd s THR 308 CO -0.01 0.37 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.84 1qmd s PHE 309 N 1.28 2.89 -0.23 4.92 0.08 0.52 0.24 117.98 127.67 1qmd s PHE 309 Ca 0.05 -0.55 -0.11 0.00 0.12 0.00 0.00 56.93 56.44 1qmd s PHE 309 Cb -0.15 -1.90 -0.05 0.00 -0.57 0.00 0.00 43.02 40.36 1qmd s PHE 309 CO 0.03 -0.17 0.16 0.21 -0.10 0.00 0.00 175.22 175.35 1qmd s LYS 310 N 0.42 4.09 0.39 0.44 2.20 -1.26 -1.30 119.74 124.71 1qmd s LYS 310 Ca -0.08 -0.25 -0.23 0.00 -0.36 0.00 0.00 55.97 55.04 1qmd s LYS 310 Cb -0.15 -3.53 -0.10 0.00 -1.51 0.00 0.00 37.83 32.54 1qmd s LYS 310 CO 0.04 0.09 0.98 -0.51 -0.36 0.00 0.00 175.35 175.59 1qmd s LEU 311 N 0.98 4.12 -0.00 5.43 1.02 -0.63 -4.91 118.68 124.69 1qmd s LEU 311 Ca 0.08 1.85 -0.19 0.00 0.02 0.00 0.00 54.13 55.88 1qmd s LEU 311 Cb -0.13 -4.27 -0.11 0.00 0.02 0.00 0.00 46.19 41.70 1qmd s LEU 311 CO 0.04 -0.33 0.91 0.11 0.02 0.00 0.00 176.35 177.10 1qmd h LYS 312 N 2.46 -0.67 -6.16 1.70 1.57 -1.96 -3.42 116.57 110.08 1qmd h LYS 312 Ca -0.48 0.05 -0.58 0.00 -1.87 0.00 0.00 60.65 57.77 1qmd h LYS 312 Cb 1.20 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.60 1qmd h LYS 312 CO 0.62 -0.45 0.83 0.34 -0.57 0.00 0.00 179.45 180.23 1qmd s ASP 313 N -4.18 7.02 0.00 0.86 -1.08 -1.26 -4.93 116.67 113.11 1qmd s ASP 313 Ca -0.10 1.31 0.22 0.00 -0.52 0.00 0.00 52.55 53.46 1qmd s ASP 313 Cb 0.01 -2.54 0.63 0.00 -1.46 0.00 0.00 42.92 39.56 1qmd s ASP 313 CO 0.31 -0.76 1.53 -0.62 0.52 0.00 0.00 175.17 176.15 1qmd n GLU 314 N 6.55 2.66 -0.53 4.34 1.02 -1.26 -4.26 120.64 129.16 1qmd n GLU 314 Ca 0.12 -2.58 0.08 0.00 -0.02 0.00 0.00 57.16 54.76 1qmd n GLU 314 Cb 0.46 -1.56 0.29 0.00 -0.02 0.00 0.00 31.44 30.61 1qmd n GLU 314 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qmd n ASN 315 N 1.60 4.26 -4.80 1.62 3.02 -1.26 -4.71 115.26 114.98 1qmd n ASN 315 Ca 0.24 -2.90 -0.37 0.00 -0.03 0.00 0.00 54.58 51.51 1qmd n ASN 315 Cb 0.61 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 39.16 1qmd n ASN 315 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qmd s LEU 316 N -2.64 4.36 0.40 3.41 1.43 -1.26 -4.99 118.68 119.40 1qmd s LEU 316 Ca 0.44 0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 54.19 1qmd s LEU 316 Cb 0.34 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1qmd s LEU 316 CO 0.12 0.26 0.64 -0.54 0.23 0.00 0.00 176.35 177.05 1qmd s LYS 317 N -0.45 3.46 0.39 1.70 3.01 -1.26 -0.64 119.74 125.95 1qmd s LYS 317 Ca 0.19 -0.17 0.09 0.00 -1.01 0.00 0.00 55.97 55.07 1qmd s LYS 317 Cb -0.14 -2.55 0.86 0.00 -1.01 0.00 0.00 37.83 34.99 1qmd s LYS 317 CO 0.07 -0.01 1.97 0.97 0.51 0.00 0.00 175.35 178.86 1qmd h ILE 318 N 0.54 0.97 0.00 2.17 6.09 -1.96 -0.49 117.51 124.82 1qmd h ILE 318 Ca -0.48 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 1qmd h ILE 318 Cb 1.22 0.31 0.00 0.00 0.47 0.00 0.00 36.82 38.82 1qmd h ILE 318 CO 0.61 0.11 0.00 0.47 -3.07 0.00 0.00 178.15 176.27 1qmd n ASP 319 N -4.48 0.67 0.24 2.19 8.00 -1.26 -2.42 116.55 119.48 1qmd n ASP 319 Ca 0.10 0.63 0.14 0.00 0.71 0.00 0.00 54.79 56.37 1qmd n ASP 319 Cb 0.28 -0.78 0.39 0.00 -0.02 0.00 0.00 41.12 40.99 1qmd n ASP 319 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1qmd h ASP 320 N 0.00 0.00 -3.36 -2.24 3.32 -1.46 -3.41 116.42 109.27 1qmd h ASP 320 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1qmd h ASP 320 Cb 0.48 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.90 1qmd h ASP 320 CO 0.00 0.00 0.43 -0.63 -1.72 0.00 0.00 179.24 177.32 1qmd s ILE 321 N -3.39 4.54 -0.14 0.35 1.01 -1.02 -0.39 121.20 122.16 1qmd s ILE 321 Ca 0.05 0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.77 1qmd s ILE 321 Cb 0.07 -4.44 -0.14 0.00 0.01 0.00 0.00 42.46 37.96 1qmd s ILE 321 CO 0.61 -0.94 0.32 -0.61 0.00 0.00 0.00 174.94 174.32 1qmd h GLN 322 N 9.16 0.00 -6.36 2.79 5.75 -1.48 -3.47 115.11 121.49 1qmd h GLN 322 Ca -0.26 0.00 -0.61 0.00 -0.15 0.00 0.00 58.65 57.63 1qmd h GLN 322 Cb 1.08 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.49 1qmd h GLN 322 CO 1.03 0.57 -0.74 -0.80 -2.65 0.00 0.00 178.83 176.24 1qmd s ASN 323 N -6.07 3.91 -0.03 -0.69 -0.87 -0.90 -4.87 114.94 105.42 1qmd s ASN 323 Ca -0.14 -0.80 -0.10 0.00 -1.57 0.00 0.00 52.86 50.25 1qmd s ASN 323 Cb 0.00 -0.51 0.02 0.00 -0.02 0.00 0.00 41.25 40.74 1qmd s ASN 323 CO 0.41 0.07 0.22 -0.04 -2.57 0.00 0.00 177.10 175.19 1qmd s MET 324 N -3.17 0.47 0.23 -0.60 -1.94 -1.26 -1.56 119.30 111.46 1qmd s MET 324 Ca 0.27 -0.09 -0.17 0.00 -1.71 0.00 0.00 55.69 53.99 1qmd s MET 324 Cb -0.07 0.21 0.02 0.00 2.01 0.00 0.00 34.83 37.00 1qmd s MET 324 CO 0.15 -0.11 0.56 1.67 -0.01 0.00 0.00 175.02 177.29 1qmd s TRP 325 N -0.85 -0.03 0.06 -0.03 -2.14 0.02 -0.82 118.94 115.15 1qmd s TRP 325 Ca -0.09 -0.35 0.08 0.00 2.66 0.00 0.00 56.10 58.40 1qmd s TRP 325 Cb -0.05 0.43 -0.03 0.00 -3.10 0.00 0.00 33.47 30.72 1qmd s TRP 325 CO 0.02 -1.02 -0.22 0.96 -2.66 0.00 0.00 176.95 174.03 1qmd s ILE 326 N -3.92 1.77 -0.01 0.66 -4.36 -0.54 -0.89 121.20 113.91 1qmd s ILE 326 Ca 0.13 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.19 1qmd s ILE 326 Cb -0.02 -1.55 0.00 0.00 1.25 0.00 0.00 42.46 42.14 1qmd s ILE 326 CO 0.02 0.15 -0.03 -0.60 0.24 0.00 0.00 174.94 174.73 1qmd s ARG 327 N -1.41 0.26 -0.03 0.37 3.52 0.32 -0.48 118.95 121.50 1qmd s ARG 327 Ca 0.08 -0.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.62 1qmd s ARG 327 Cb -0.09 -0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 32.99 1qmd s ARG 327 CO 0.03 0.04 -0.09 0.21 -0.81 0.00 0.00 175.30 174.68 1qmd s LYS 328 N 0.06 2.58 -0.05 5.12 2.20 -0.68 -0.13 119.74 128.85 1qmd s LYS 328 Ca -0.00 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1qmd s LYS 328 Cb -0.03 -2.49 0.02 0.00 -1.51 0.00 0.00 37.83 33.82 1qmd s LYS 328 CO -0.00 0.62 -0.06 0.50 -0.36 0.00 0.00 175.35 176.05 1qmd s ARG 329 N -1.08 1.02 0.20 4.03 3.52 -0.26 -2.75 118.95 123.63 1qmd s ARG 329 Ca 0.14 -0.17 -0.33 0.00 -0.13 0.00 0.00 55.73 55.24 1qmd s ARG 329 Cb -0.11 -0.96 -0.13 0.00 -1.56 0.00 0.00 34.95 32.20 1qmd s ARG 329 CO 0.04 -0.05 1.68 1.63 -0.81 0.00 0.00 175.30 177.79 1qmd n LYS 330 N 3.97 2.61 0.07 5.12 5.02 -1.26 -1.27 118.16 132.42 1qmd n LYS 330 Ca -0.25 0.94 -0.23 0.00 -2.02 0.00 0.00 58.31 56.76 1qmd n LYS 330 Cb 0.51 -2.76 -0.15 0.00 -0.02 0.00 0.00 35.03 32.61 1qmd n LYS 330 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1qmd h TYR 331 N 6.51 0.68 -2.26 2.13 3.20 -1.91 -3.45 116.97 121.88 1qmd h TYR 331 Ca -0.44 -0.50 -0.56 0.00 3.14 0.00 0.00 58.73 60.37 1qmd h TYR 331 Cb 1.22 -0.03 -0.13 0.00 1.54 0.00 0.00 36.73 39.33 1qmd h TYR 331 CO 0.63 1.58 -0.54 0.95 -1.64 0.00 0.00 178.16 179.14 1qmd s THR 332 N -2.54 0.88 -0.12 1.81 -4.23 -1.26 -5.04 115.64 105.15 1qmd s THR 332 Ca -0.15 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.65 1qmd s THR 332 Cb 0.04 -2.44 0.36 0.00 1.34 0.00 0.00 72.50 71.80 1qmd s THR 332 CO 0.85 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.75 1qmd h ALA 333 N 1.79 1.00 -2.40 3.99 0.00 -2.04 -3.45 119.26 118.15 1qmd h ALA 333 Ca -0.38 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.04 1qmd h ALA 333 Cb 1.27 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1qmd h ALA 333 CO 0.64 0.02 0.39 -0.06 0.00 0.00 0.00 179.25 180.24 1qmd s PHE 334 N -3.48 3.16 0.38 0.00 0.08 -1.26 -5.01 117.98 111.85 1qmd s PHE 334 Ca 0.03 1.61 -0.27 0.00 0.12 0.00 0.00 56.93 58.43 1qmd s PHE 334 Cb 0.07 -3.08 -0.09 0.00 -0.57 0.00 0.00 43.02 39.35 1qmd s PHE 334 CO 0.60 -0.67 1.31 -1.12 -0.10 0.00 0.00 175.22 175.24 1qmd s SER 335 N -1.79 6.50 -0.48 1.36 0.01 -1.26 -4.92 113.70 113.12 1qmd s SER 335 Ca 0.62 2.68 0.06 0.00 1.31 0.00 0.00 55.95 60.62 1qmd s SER 335 Cb -0.19 -2.64 0.23 0.00 0.21 0.00 0.00 66.02 63.63 1qmd s SER 335 CO 0.23 -0.72 0.82 -0.67 0.41 0.00 0.00 173.24 173.31 1qmd n ASP 336 N 0.40 -2.68 -4.71 2.44 -0.08 -1.26 -5.13 116.55 105.53 1qmd n ASP 336 Ca 0.02 -3.17 -0.34 0.00 -1.51 0.00 0.00 54.79 49.79 1qmd n ASP 336 Cb 0.43 1.56 0.10 0.00 2.34 0.00 0.00 41.12 45.55 1qmd n ASP 336 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qmd s ALA 337 N 0.55 2.05 -0.08 -1.67 0.00 -1.26 -4.79 121.76 116.55 1qmd s ALA 337 Ca 0.32 0.90 0.03 0.00 0.00 0.00 0.00 51.96 53.21 1qmd s ALA 337 Cb 0.18 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1qmd s ALA 337 CO -0.20 -2.00 -0.17 -0.47 0.00 0.00 0.00 175.76 172.92 1qmd s TYR 338 N -1.98 1.91 -0.39 0.00 5.04 0.59 -4.59 117.35 117.93 1qmd s TYR 338 Ca 0.75 -0.72 0.03 0.00 -2.44 0.00 0.00 57.07 54.69 1qmd s TYR 338 Cb -0.30 -1.32 0.11 0.00 0.35 0.00 0.00 41.96 40.80 1qmd s TYR 338 CO 0.47 -0.32 0.12 0.21 -1.34 0.00 0.00 175.55 174.69 1qmd s LYS 339 N 0.46 1.49 0.28 4.97 2.20 0.81 0.78 119.74 130.73 1qmd s LYS 339 Ca -0.15 -1.97 -0.28 0.00 -0.36 0.00 0.00 55.97 53.21 1qmd s LYS 339 Cb -0.16 -3.01 -0.09 0.00 -1.51 0.00 0.00 37.83 33.06 1qmd s LYS 339 CO 0.06 -1.00 0.97 -1.25 -0.36 0.00 0.00 175.35 173.76 1qmd s PRO 340 N 0.66 4.70 -0.17 4.03 0.04 -1.25 -1.36 135.00 141.65 1qmd s PRO 340 Ca 0.13 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 1qmd s PRO 340 Cb -0.21 -3.08 -0.22 0.00 0.04 0.00 0.00 34.50 31.03 1qmd s PRO 340 CO -0.08 0.36 0.23 -1.91 0.04 0.00 0.00 177.00 175.64 1qmd n GLU 341 N 1.07 0.68 -3.60 4.56 2.13 0.98 -0.95 120.64 125.52 1qmd n GLU 341 Ca -0.00 0.35 -0.15 0.00 0.66 0.00 0.00 57.16 58.01 1qmd n GLU 341 Cb 0.48 -1.69 -0.07 0.00 0.27 0.00 0.00 31.44 30.43 1qmd n GLU 341 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1qmd s ASN 342 N -6.97 -0.66 -0.09 4.31 3.84 -0.98 -0.84 114.94 113.53 1qmd s ASN 342 Ca -0.26 1.06 0.00 0.00 0.21 0.00 0.00 52.86 53.87 1qmd s ASN 342 Cb 0.07 1.01 0.02 0.00 -0.55 0.00 0.00 41.25 41.80 1qmd s ASN 342 CO 0.68 -0.39 -0.08 -0.63 -2.79 0.00 0.00 177.10 173.89 1qmd s ILE 343 N -0.32 0.99 -0.09 -5.21 1.01 -0.42 -0.82 121.20 116.34 1qmd s ILE 343 Ca -0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.29 1qmd s ILE 343 Cb -0.03 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1qmd s ILE 343 CO 0.05 0.35 -0.07 -0.54 0.00 0.00 0.00 174.94 174.72 1qmd s LYS 344 N 1.39 3.01 -0.10 2.79 1.02 -0.51 -1.57 119.74 125.77 1qmd s LYS 344 Ca -0.01 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.43 1qmd s LYS 344 Cb -0.14 -2.65 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1qmd s LYS 344 CO -0.04 0.51 -0.18 0.42 -0.92 0.00 0.00 175.35 175.14 1qmd s ILE 345 N -0.40 2.65 -0.11 2.17 -1.09 -0.25 -0.85 121.20 123.33 1qmd s ILE 345 Ca 0.06 -0.82 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 1qmd s ILE 345 Cb -0.12 -2.06 -0.01 0.00 -1.58 0.00 0.00 42.46 38.69 1qmd s ILE 345 CO 0.02 0.55 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.46 1qmd s ILE 346 N 0.14 2.50 -0.08 2.92 1.01 0.33 -0.55 121.20 127.47 1qmd s ILE 346 Ca -0.09 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 1qmd s ILE 346 Cb -0.15 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.34 1qmd s ILE 346 CO 0.06 0.55 -0.04 0.00 0.00 0.00 0.00 174.94 175.50 1qmd s ALA 347 N 0.31 0.94 -1.31 9.38 0.00 0.10 -1.38 121.76 129.81 1qmd s ALA 347 Ca -0.14 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 1qmd s ALA 347 Cb -0.17 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 1qmd s ALA 347 CO 0.07 -0.35 0.59 0.09 0.00 0.00 0.00 175.76 176.16 1qmd n ASN 348 N 4.85 -1.95 0.00 0.00 3.02 -1.26 -1.57 115.26 118.34 1qmd n ASN 348 Ca -0.12 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1qmd n ASN 348 Cb 0.50 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 1qmd n ASN 348 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qmd n GLY 349 N -1.81 0.51 3.32 7.41 0.00 -1.26 -2.48 105.19 110.89 1qmd n GLY 349 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1qmd n GLY 349 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qmd s LYS 350 N -0.52 2.80 -0.59 1.61 2.20 -0.61 -4.56 119.74 120.08 1qmd s LYS 350 Ca 0.00 -0.82 -0.28 0.00 -0.36 0.00 0.00 55.97 54.52 1qmd s LYS 350 Cb 0.00 -2.33 0.02 0.00 -1.51 0.00 0.00 37.83 34.02 1qmd s LYS 350 CO 0.00 0.36 1.32 0.08 -0.36 0.00 0.00 175.35 176.75 1qmd s VAL 351 N -0.08 3.87 -0.68 4.02 1.01 -1.26 -0.72 120.40 126.55 1qmd s VAL 351 Ca -0.05 0.73 0.23 0.00 0.00 0.00 0.00 61.98 62.89 1qmd s VAL 351 Cb -0.14 -4.60 -0.13 0.00 0.00 0.00 0.00 36.38 31.51 1qmd s VAL 351 CO 0.04 -1.31 1.01 1.33 0.00 0.00 0.00 175.10 176.18 1qmd n VAL 352 N 6.74 0.11 -3.77 2.92 0.24 0.29 -4.90 118.33 119.97 1qmd n VAL 352 Ca 0.10 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 62.07 1qmd n VAL 352 Cb 0.49 0.33 -0.15 0.00 -1.47 0.00 0.00 33.84 33.04 1qmd n VAL 352 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1qmd s VAL 353 N -3.16 -0.05 -0.40 3.34 1.01 -1.09 -4.95 120.40 115.10 1qmd s VAL 353 Ca 0.04 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1qmd s VAL 353 Cb 0.15 -0.13 0.16 0.00 0.00 0.00 0.00 36.38 36.56 1qmd s VAL 353 CO 0.81 0.08 0.34 -0.62 0.00 0.00 0.00 175.10 175.71 1qmd s ASP 354 N 1.00 1.55 -0.21 3.32 2.15 -1.26 -1.08 116.67 122.14 1qmd s ASP 354 Ca -0.08 -2.45 -0.04 0.00 0.43 0.00 0.00 52.55 50.41 1qmd s ASP 354 Cb -0.11 -0.05 -0.01 0.00 -0.30 0.00 0.00 42.92 42.45 1qmd s ASP 354 CO -0.04 -0.21 -0.03 -0.75 -0.17 0.00 0.00 175.17 173.97 1qmd s LYS 355 N 0.65 3.46 0.25 4.34 2.20 -0.61 -4.97 119.74 125.06 1qmd s LYS 355 Ca 0.26 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 1qmd s LYS 355 Cb -0.07 -3.03 -0.09 0.00 -1.51 0.00 0.00 37.83 33.13 1qmd s LYS 355 CO -0.10 -0.11 0.95 -0.51 -0.36 0.00 0.00 175.35 175.22 1qmd s ASP 356 N 1.28 7.62 0.00 1.43 1.01 -1.26 -1.30 116.67 125.45 1qmd s ASP 356 Ca 0.04 1.96 0.00 0.00 0.71 0.00 0.00 52.55 55.25 1qmd s ASP 356 Cb -0.14 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.18 1qmd s ASP 356 CO -0.01 0.14 0.00 -0.38 0.21 0.00 0.00 175.17 175.13 1qmd n ILE 357 N 1.44 0.00 -3.71 0.77 5.41 -0.02 -4.95 119.36 118.31 1qmd n ILE 357 Ca -0.02 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.47 1qmd n ILE 357 Cb 0.47 -0.89 0.05 0.00 -0.71 0.00 0.00 39.64 38.57 1qmd n ILE 357 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1qmd n ASN 358 N -2.28 -5.71 -4.26 4.38 3.02 -0.12 -5.01 115.26 105.28 1qmd n ASN 358 Ca 0.00 -0.63 -0.25 0.00 -0.03 0.00 0.00 54.58 53.67 1qmd n ASN 358 Cb 0.00 -4.52 -0.14 0.00 -0.61 0.00 0.00 39.78 34.51 1qmd n ASN 358 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qmd s GLU 359 N -6.42 1.31 -0.03 3.52 2.02 -1.25 -5.03 118.70 112.82 1qmd s GLU 359 Ca 0.61 -1.00 -0.27 0.00 0.02 0.00 0.00 54.97 54.33 1qmd s GLU 359 Cb -0.29 -1.46 -0.03 0.00 0.10 0.00 0.00 34.13 32.45 1qmd s GLU 359 CO 0.75 0.36 0.86 -1.58 0.02 0.00 0.00 175.26 175.68 1qmd s TRP 360 N -0.90 3.62 -0.21 1.61 0.52 -1.26 -3.96 118.94 118.36 1qmd s TRP 360 Ca 0.07 1.50 -0.06 0.00 0.02 0.00 0.00 56.10 57.63 1qmd s TRP 360 Cb -0.09 -2.99 -0.03 0.00 -1.15 0.00 0.00 33.47 29.22 1qmd s TRP 360 CO 0.02 0.03 0.02 0.42 0.02 0.00 0.00 176.95 177.46 1qmd s ILE 361 N 0.95 4.10 0.24 2.03 1.01 0.23 -4.92 121.20 124.84 1qmd s ILE 361 Ca 0.46 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.89 1qmd s ILE 361 Cb -0.20 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 1qmd s ILE 361 CO 0.23 0.41 0.00 -0.94 0.00 0.00 0.00 174.94 174.64 1qmd s SER 362 N 1.11 1.94 0.84 3.58 1.04 -1.26 -0.30 113.70 120.65 1qmd s SER 362 Ca 0.03 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1qmd s SER 362 Cb -0.14 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1qmd s SER 362 CO 0.02 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1qmd n GLY 363 N -0.46 1.17 3.34 7.32 0.00 -1.26 -3.91 105.19 111.39 1qmd n GLY 363 Ca -0.05 -0.58 -0.46 0.00 0.00 0.00 0.00 46.02 44.94 1qmd n GLY 363 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qmd s ASN 364 N -4.00 6.46 0.03 1.61 0.01 -1.26 -4.40 114.94 113.39 1qmd s ASN 364 Ca 0.00 -2.13 -0.07 0.00 -0.71 0.00 0.00 52.86 49.95 1qmd s ASN 364 Cb 0.00 -2.24 -0.00 0.00 0.41 0.00 0.00 41.25 39.42 1qmd s ASN 364 CO 0.00 -0.79 0.14 -0.94 -1.51 0.00 0.00 177.10 173.99 1qmd s SER 365 N 3.01 0.10 -0.18 -1.22 1.04 -1.11 -5.00 113.70 110.34 1qmd s SER 365 Ca 0.13 -0.41 -0.06 0.00 0.48 0.00 0.00 55.95 56.08 1qmd s SER 365 Cb -0.19 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 1qmd s SER 365 CO -0.02 -0.50 0.02 -0.89 0.98 0.00 0.00 173.24 172.83 1qmd s THR 366 N -2.34 4.36 -0.23 2.02 2.01 -1.26 -1.68 115.64 118.52 1qmd s THR 366 Ca -0.07 -0.18 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 1qmd s THR 366 Cb -0.02 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1qmd s THR 366 CO -0.03 0.45 0.00 -0.47 -0.69 0.00 0.00 174.62 173.88 1qmd s TYR 367 N 0.56 3.01 -0.17 4.92 5.04 0.37 -4.99 117.35 126.09 1qmd s TYR 367 Ca 0.01 -0.70 -0.26 0.00 -2.44 0.00 0.00 57.07 53.68 1qmd s TYR 367 Cb -0.13 -2.15 -0.01 0.00 0.35 0.00 0.00 41.96 40.02 1qmd s TYR 367 CO 0.02 -0.44 0.88 -0.80 -1.34 0.00 0.00 175.55 173.87 1qmd s ASN 368 N 1.46 7.01 -0.04 4.32 -0.87 -1.26 -1.47 114.94 124.09 1qmd s ASN 368 Ca 0.05 1.24 -0.17 0.00 -1.57 0.00 0.00 52.86 52.42 1qmd s ASN 368 Cb -0.15 -2.48 -0.32 0.00 -0.02 0.00 0.00 41.25 38.29 1qmd s ASN 368 CO -0.00 -0.45 0.81 0.40 -2.57 0.00 0.00 177.10 175.29 1qmd h ILE 369 N 5.22 1.24 0.00 0.60 2.04 -1.33 -3.49 117.51 121.80 1qmd h ILE 369 Ca -0.28 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.04 1qmd h ILE 369 Cb 1.12 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 40.18 1qmd h ILE 369 CO 0.86 0.76 0.00 2.29 0.00 0.00 0.00 178.15 182.06