#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwv h PRO 2 N 0.00 0.00 -0.00 1.43 0.11 -1.97 -3.01 132.00 128.55 1qwv h PRO 2 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qwv h PRO 2 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1qwv h PRO 2 CO 0.00 0.02 -0.04 0.93 -0.21 0.00 0.00 178.00 178.70 1qwv h GLU 3 N 0.00 -0.05 0.00 1.05 3.07 -1.94 -2.17 114.58 114.54 1qwv h GLU 3 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qwv h GLU 3 Cb 0.20 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1qwv h GLU 3 CO 0.00 -0.03 0.00 1.51 -1.40 0.00 0.00 179.01 179.09 1qwv n ILE 4 N -2.76 0.28 -0.23 3.13 0.13 -1.23 -3.28 119.36 115.40 1qwv n ILE 4 Ca -0.01 0.02 -0.08 0.00 -1.10 0.00 0.00 62.75 61.59 1qwv n ILE 4 Cb 0.03 -0.62 0.05 0.00 -0.84 0.00 0.00 39.64 38.26 1qwv n ILE 4 CO 0.00 0.00 0.00 -0.03 2.80 0.00 0.00 176.55 179.32 1qwv h MET 5 N 0.00 1.09 -6.21 9.51 4.05 -1.30 -3.37 114.93 118.70 1qwv h MET 5 Ca 0.00 -0.30 -0.57 0.00 -0.28 0.00 0.00 59.70 58.55 1qwv h MET 5 Cb 0.48 -0.12 -0.09 0.00 -0.80 0.00 0.00 31.60 31.06 1qwv h MET 5 CO 0.00 1.01 0.86 0.15 0.23 0.00 0.00 176.91 179.16 1qwv s LYS 6 N -5.16 3.33 0.57 0.39 1.02 -0.86 -5.01 119.74 114.01 1qwv s LYS 6 Ca -0.12 -0.14 -0.20 0.00 0.02 0.00 0.00 55.97 55.53 1qwv s LYS 6 Cb 0.14 -4.10 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 1qwv s LYS 6 CO 0.85 -1.79 1.26 -0.80 -0.92 0.00 0.00 175.35 173.95 1qwv s ASN 7 N 3.25 5.26 0.09 2.83 0.02 -1.26 -4.80 114.94 120.33 1qwv s ASN 7 Ca 0.35 2.53 -0.26 0.00 -1.02 0.00 0.00 52.86 54.46 1qwv s ASN 7 Cb -0.10 -2.61 -0.14 0.00 0.02 0.00 0.00 41.25 38.42 1qwv s ASN 7 CO 0.19 -1.56 1.69 -0.07 0.02 0.00 0.00 177.10 177.37 1qwv h LEU 8 N 1.17 -0.36 -1.38 0.60 4.07 -1.92 0.24 115.31 117.72 1qwv h LEU 8 Ca -0.51 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.44 1qwv h LEU 8 Cb 1.30 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 43.14 1qwv h LEU 8 CO 0.56 -0.22 -0.01 0.28 -1.08 0.00 0.00 178.44 177.97 1qwv h SER 9 N -0.34 0.36 0.01 -0.43 0.02 -1.90 -0.03 113.55 111.24 1qwv h SER 9 Ca -0.01 -0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 60.69 1qwv h SER 9 Cb 0.30 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1qwv h SER 9 CO 0.00 0.43 -0.66 -1.13 -1.14 0.00 0.00 176.83 174.34 1qwv h ASN 10 N 0.38 0.71 0.26 3.07 -1.24 -1.69 -0.26 115.58 116.81 1qwv h ASN 10 Ca 0.09 -0.42 -0.01 0.00 0.71 0.00 0.00 56.30 56.66 1qwv h ASN 10 Cb 0.27 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1qwv h ASN 10 CO 0.01 1.18 -0.12 -1.13 -1.29 0.00 0.00 177.43 176.07 1qwv h ASN 11 N 0.44 -0.29 -0.05 1.15 -0.00 -0.04 -3.30 115.58 113.49 1qwv h ASN 11 Ca -0.02 -0.24 0.01 0.00 -0.00 0.00 0.00 56.30 56.05 1qwv h ASN 11 Cb 1.24 0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 39.63 1qwv h ASN 11 CO 0.13 0.15 -0.05 -0.26 -0.00 0.00 0.00 177.43 177.39 1qwv h PHE 12 N -0.81 -0.16 -4.41 0.67 -1.00 -1.06 -3.46 116.94 106.71 1qwv h PHE 12 Ca -0.04 0.01 -0.39 0.00 2.81 0.00 0.00 57.97 60.37 1qwv h PHE 12 Cb 0.51 0.07 0.01 0.00 3.61 0.00 0.00 35.95 40.16 1qwv h PHE 12 CO 0.05 -0.04 -0.56 0.41 -1.61 0.00 0.00 178.31 176.56 1qwv n GLY 13 N -1.03 -0.51 0.16 -1.45 0.00 -0.11 -4.90 105.19 97.35 1qwv n GLY 13 Ca -0.00 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1qwv n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qwv h LYS 14 N -0.95 -0.30 -2.17 1.61 3.11 -1.90 -3.41 116.57 112.56 1qwv h LYS 14 Ca -0.48 0.02 -0.46 0.00 -2.81 0.00 0.00 60.65 56.92 1qwv h LYS 14 Cb 1.33 0.07 -0.34 0.00 -1.00 0.00 0.00 32.23 32.29 1qwv h LYS 14 CO 0.54 0.04 -0.77 0.00 -2.81 0.00 0.00 179.45 176.45 1qwv s ALA 15 N -4.71 0.20 0.22 5.00 0.00 -1.26 -4.95 121.76 116.26 1qwv s ALA 15 Ca -0.14 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.34 1qwv s ALA 15 Cb 0.02 -1.87 0.21 0.00 0.00 0.00 0.00 23.12 21.48 1qwv s ALA 15 CO 0.57 -2.12 1.58 1.98 0.00 0.00 0.00 175.76 177.77 1qwv h MET 16 N 6.73 0.52 -0.45 0.00 4.05 -1.95 -2.30 114.93 121.53 1qwv h MET 16 Ca 0.09 -0.28 -0.07 0.00 -0.28 0.00 0.00 59.70 59.16 1qwv h MET 16 Cb 1.01 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.80 1qwv h MET 16 CO 0.23 0.87 -0.01 0.22 0.23 0.00 0.00 176.91 178.45 1qwv h ASP 17 N 0.42 0.71 0.78 1.39 3.58 -1.97 -1.72 116.42 119.61 1qwv h ASP 17 Ca 0.03 -0.17 -0.15 0.00 0.42 0.00 0.00 57.03 57.16 1qwv h ASP 17 Cb 0.95 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 1qwv h ASP 17 CO 0.08 0.78 -1.32 1.56 -2.88 0.00 0.00 179.24 177.47 1qwv h GLN 18 N 0.69 0.00 -0.26 0.28 4.20 -1.94 -1.46 115.11 116.62 1qwv h GLN 18 Ca 0.14 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 1qwv h GLN 18 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1qwv h GLN 18 CO 0.02 0.28 -0.35 0.00 -0.67 0.00 0.00 178.83 178.11 1qwv h LYS 20 N 0.47 0.41 -0.25 0.00 3.11 -1.20 -2.31 116.57 116.80 1qwv h LYS 20 Ca 0.05 -0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 1qwv h LYS 20 Cb 0.83 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.98 1qwv h LYS 20 CO 0.07 0.35 -0.25 0.22 -2.81 0.00 0.00 179.45 177.03 1qwv h ASP 21 N 0.35 0.65 0.22 4.20 3.58 -1.12 -0.71 116.42 123.59 1qwv h ASP 21 Ca 0.10 -0.47 -0.13 0.00 0.42 0.00 0.00 57.03 56.94 1qwv h ASP 21 Cb 0.06 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1qwv h ASP 21 CO -0.02 0.99 -0.51 -0.33 -2.88 0.00 0.00 179.24 176.49 1qwv h GLU 22 N 0.32 0.33 -0.01 0.28 5.08 -1.17 -2.30 114.58 117.11 1qwv h GLU 22 Ca 0.04 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1qwv h GLU 22 Cb 0.81 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1qwv h GLU 22 CO 0.06 0.76 -0.16 1.28 -1.00 0.00 0.00 179.01 179.96 1qwv n LEU 23 N -3.95 0.73 -3.58 1.33 4.77 -0.87 -4.92 117.00 110.50 1qwv n LEU 23 Ca -0.02 -0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.61 1qwv n LEU 23 Cb 0.56 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1qwv n LEU 23 CO 0.44 0.14 0.18 -1.20 -1.33 0.00 0.00 177.39 175.62 1qwv n SER 24 N -0.77 -4.73 -4.70 -1.43 7.64 -0.86 -4.88 113.62 103.88 1qwv n SER 24 Ca 0.14 -0.60 -0.55 0.00 1.01 0.00 0.00 58.87 58.87 1qwv n SER 24 Cb 0.31 -4.91 -0.07 0.00 -1.01 0.00 0.00 64.21 58.53 1qwv n SER 24 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qwv n LEU 25 N -4.69 2.62 -4.79 -3.43 7.99 -0.31 -4.96 117.00 109.43 1qwv n LEU 25 Ca -0.09 1.05 -0.33 0.00 -0.01 0.00 0.00 56.01 56.63 1qwv n LEU 25 Cb 0.59 -1.20 0.02 0.00 -0.11 0.00 0.00 43.42 42.72 1qwv n LEU 25 CO 0.65 -0.36 0.73 -2.84 -1.51 0.00 0.00 177.39 174.06 1qwv s PRO 26 N 3.53 3.18 0.49 3.23 0.02 -1.26 -4.84 135.00 139.35 1qwv s PRO 26 Ca 0.96 1.29 0.21 0.00 0.02 0.00 0.00 61.00 63.48 1qwv s PRO 26 Cb -0.97 -2.01 1.24 0.00 0.02 0.00 0.00 34.50 32.78 1qwv s PRO 26 CO 0.61 -0.93 2.04 0.38 -0.33 0.00 0.00 177.00 178.77 1qwv h ASP 27 N 0.39 0.00 -0.29 2.53 2.03 -1.99 0.07 116.42 119.17 1qwv h ASP 27 Ca -0.47 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.75 1qwv h ASP 27 Cb 1.23 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.71 1qwv h ASP 27 CO 0.56 0.15 -0.09 0.28 -1.03 0.00 0.00 179.24 179.11 1qwv h SER 28 N 0.00 0.67 0.21 4.15 0.02 -2.00 -2.41 113.55 114.19 1qwv h SER 28 Ca -0.00 -0.18 -0.32 0.00 -0.84 0.00 0.00 61.79 60.45 1qwv h SER 28 Cb 0.32 -0.18 0.02 0.00 0.14 0.00 0.00 62.40 62.71 1qwv h SER 28 CO 0.02 0.80 -1.47 0.58 -1.14 0.00 0.00 176.83 175.62 1qwv h VAL 29 N 0.63 1.18 -0.40 2.27 2.07 -1.43 -2.51 116.25 118.06 1qwv h VAL 29 Ca 0.11 -2.59 0.03 0.00 0.82 0.00 0.00 66.70 65.08 1qwv h VAL 29 Cb 0.53 2.95 -0.02 0.00 -1.52 0.00 0.00 31.29 33.23 1qwv h VAL 29 CO 0.03 0.80 0.27 -0.37 0.02 0.00 0.00 177.57 178.32 1qwv h VAL 30 N 0.01 1.02 0.14 2.57 -1.51 -1.14 0.32 116.25 117.66 1qwv h VAL 30 Ca -0.28 -0.14 -0.01 0.00 -1.23 0.00 0.00 66.70 65.05 1qwv h VAL 30 Cb 2.04 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 1qwv h VAL 30 CO 0.21 0.08 -0.07 0.00 -1.23 0.00 0.00 177.57 176.55 1qwv h ALA 31 N 1.77 -0.19 -0.55 5.19 0.00 -1.43 -2.38 119.26 121.68 1qwv h ALA 31 Ca 0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1qwv h ALA 31 Cb 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1qwv h ALA 31 CO -0.04 -0.46 0.12 0.22 0.00 0.00 0.00 179.25 179.10 1qwv h ASP 32 N -0.49 0.79 -0.32 0.00 3.58 -0.97 -2.61 116.42 116.40 1qwv h ASP 32 Ca -0.02 -0.15 0.07 0.00 0.42 0.00 0.00 57.03 57.36 1qwv h ASP 32 Cb 0.38 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.15 1qwv h ASP 32 CO 0.03 0.78 -0.18 0.25 -2.88 0.00 0.00 179.24 177.24 1qwv h LEU 33 N 0.81 -0.60 -0.16 2.28 5.85 -0.33 -1.98 115.31 121.18 1qwv h LEU 33 Ca 0.18 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1qwv h LEU 33 Cb 0.31 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1qwv h LEU 33 CO 0.00 -0.22 0.00 -1.22 -0.34 0.00 0.00 178.44 176.66 1qwv n TYR 34 N -5.35 0.00 -1.60 1.25 4.01 -0.90 -4.86 117.16 109.70 1qwv n TYR 34 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 1qwv n TYR 34 Cb 0.26 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 1qwv n TYR 34 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1qwv n ASN 35 N -0.37 3.32 -0.54 7.72 6.94 -0.75 -4.80 115.26 126.77 1qwv n ASN 35 Ca 0.00 0.28 0.12 0.00 -0.02 0.00 0.00 54.58 54.96 1qwv n ASN 35 Cb 0.02 -1.55 0.23 0.00 -2.36 0.00 0.00 39.78 36.12 1qwv n ASN 35 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1qwv n PHE 36 N 11.24 0.00 -3.01 -2.53 3.72 -1.26 -4.91 117.46 120.71 1qwv n PHE 36 Ca 0.29 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.44 1qwv n PHE 36 Cb 0.44 -0.03 -0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1qwv n PHE 36 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 1qwv s TRP 37 N -2.27 3.50 -1.22 1.38 -2.14 -1.26 -4.97 118.94 111.95 1qwv s TRP 37 Ca 0.26 0.54 -0.21 0.00 2.66 0.00 0.00 56.10 59.35 1qwv s TRP 37 Cb 0.19 -2.12 -0.03 0.00 -3.10 0.00 0.00 33.47 28.41 1qwv s TRP 37 CO 0.44 -0.11 1.87 -1.59 -2.66 0.00 0.00 176.95 174.90 1qwv s LYS 38 N -4.53 3.00 0.20 3.25 0.00 -1.26 -4.84 119.74 115.56 1qwv s LYS 38 Ca 0.44 -1.45 -0.19 0.00 0.00 0.00 0.00 55.97 54.78 1qwv s LYS 38 Cb -0.10 -5.34 0.17 0.00 0.00 0.00 0.00 37.83 32.56 1qwv s LYS 38 CO 0.40 -3.40 1.58 0.38 0.00 0.00 0.00 175.35 174.32 1qwv h ASP 39 N 9.00 -1.11 -4.86 0.03 2.03 -1.93 -3.45 116.42 116.12 1qwv h ASP 39 Ca 0.29 0.24 -0.29 0.00 -0.73 0.00 0.00 57.03 56.54 1qwv h ASP 39 Cb 0.92 0.58 -0.05 0.00 -0.83 0.00 0.00 39.33 39.94 1qwv h ASP 39 CO 1.30 -0.29 -0.42 -0.90 -1.03 0.00 0.00 179.24 177.91 1qwv n ASP 40 N -5.45 -3.44 -4.94 4.15 5.68 -1.26 -4.96 116.55 106.34 1qwv n ASP 40 Ca 0.06 -0.10 -0.24 0.00 -0.50 0.00 0.00 54.79 54.02 1qwv n ASP 40 Cb 0.37 -2.90 0.01 0.00 -1.14 0.00 0.00 41.12 37.46 1qwv n ASP 40 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1qwv s TYR 41 N -2.72 1.71 -0.14 2.11 1.13 -1.26 -5.12 117.35 113.06 1qwv s TYR 41 Ca 0.22 -0.76 -0.07 0.00 -1.41 0.00 0.00 57.07 55.05 1qwv s TYR 41 Cb -0.12 -2.04 -0.04 0.00 -1.10 0.00 0.00 41.96 38.67 1qwv s TYR 41 CO 0.27 -0.62 0.10 0.08 -2.51 0.00 0.00 175.55 172.87 1qwv s VAL 42 N -2.70 5.18 -0.59 -3.49 1.01 -1.26 -5.03 120.40 113.52 1qwv s VAL 42 Ca 0.44 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.24 1qwv s VAL 42 Cb -0.03 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1qwv s VAL 42 CO 0.27 0.55 1.78 -0.32 0.00 0.00 0.00 175.10 177.39 1qwv s MET 43 N -0.47 2.79 -0.23 2.72 1.75 -1.26 -4.79 119.30 119.81 1qwv s MET 43 Ca 0.11 0.63 -0.01 0.00 -1.25 0.00 0.00 55.69 55.17 1qwv s MET 43 Cb -0.12 -4.33 -0.19 0.00 2.84 0.00 0.00 34.83 33.03 1qwv s MET 43 CO 0.02 -2.54 -0.10 0.25 -0.65 0.00 0.00 175.02 171.99 1qwv n THR 44 N 7.16 1.56 -2.96 10.11 -2.24 -1.26 -4.92 114.28 121.72 1qwv n THR 44 Ca 0.19 -0.57 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1qwv n THR 44 Cb 0.51 -1.53 -0.05 0.00 -2.10 0.00 0.00 70.33 67.16 1qwv n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qwv s ASP 45 N -6.70 6.76 0.32 3.42 -1.08 -1.26 -4.94 116.67 113.19 1qwv s ASP 45 Ca -0.32 0.94 0.09 0.00 -0.52 0.00 0.00 52.55 52.74 1qwv s ASP 45 Cb 0.09 -2.40 0.94 0.00 -1.46 0.00 0.00 42.92 40.08 1qwv s ASP 45 CO 0.63 -0.46 1.64 0.08 0.52 0.00 0.00 175.17 177.58 1qwv h ARG 46 N 7.73 0.22 0.00 4.34 -0.00 -1.91 -0.48 114.38 124.27 1qwv h ARG 46 Ca -0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.72 1qwv h ARG 46 Cb 1.10 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.02 1qwv h ARG 46 CO 0.84 0.14 0.00 -0.07 -0.00 0.00 0.00 179.97 180.88 1qwv h LEU 47 N 0.22 0.00 0.00 0.08 -0.00 -1.94 -0.32 115.31 113.35 1qwv h LEU 47 Ca 0.66 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.54 1qwv h LEU 47 Cb 1.48 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.14 1qwv h LEU 47 CO -0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 178.44 177.77 1qwv h ALA 48 N 2.01 0.00 -0.98 1.53 0.00 -1.45 -2.21 119.26 118.17 1qwv h ALA 48 Ca 0.00 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.15 1qwv h ALA 48 Cb 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.84 1qwv h ALA 48 CO 0.00 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.62 1qwv n GLY 49 N 1.78 -1.41 0.23 0.00 0.00 -1.11 -1.25 105.19 103.42 1qwv n GLY 49 Ca -0.00 0.98 -0.08 0.00 0.00 0.00 0.00 46.02 46.91 1qwv n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwv h ALA 51 N 1.04 1.18 -0.32 0.00 0.00 -0.52 -1.84 119.26 118.79 1qwv h ALA 51 Ca 0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1qwv h ALA 51 Cb 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1qwv h ALA 51 CO -0.01 0.15 -0.00 0.82 0.00 0.00 0.00 179.25 180.21 1qwv h ILE 52 N 0.00 1.19 -1.99 0.00 1.08 -0.98 -3.32 117.51 113.49 1qwv h ILE 52 Ca -0.00 -0.76 -0.50 0.00 -0.39 0.00 0.00 64.86 63.20 1qwv h ILE 52 Cb 0.42 0.95 -0.40 0.00 -3.07 0.00 0.00 36.82 34.73 1qwv h ILE 52 CO 0.02 0.26 -1.17 -0.46 -0.69 0.00 0.00 178.15 176.11 1qwv n ASN 53 N -4.29 0.60 -0.03 1.72 2.04 -0.75 -3.89 115.26 110.66 1qwv n ASN 53 Ca 0.01 -2.91 -0.05 0.00 -0.44 0.00 0.00 54.58 51.20 1qwv n ASN 53 Cb 0.24 -0.61 -0.03 0.00 -2.53 0.00 0.00 39.78 36.84 1qwv n ASN 53 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1qwv h LEU 55 N 0.00 -0.56 0.00 0.00 6.46 -1.86 0.43 115.31 119.77 1qwv h LEU 55 Ca -0.16 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1qwv h LEU 55 Cb 1.26 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.33 1qwv h LEU 55 CO -0.02 -0.31 -0.08 0.00 -0.62 0.00 0.00 178.44 177.42 1qwv n ALA 56 N -2.46 2.39 0.08 1.25 0.00 -1.26 -1.92 120.51 118.59 1qwv n ALA 56 Ca -0.12 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.08 1qwv n ALA 56 Cb 0.30 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.18 1qwv n ALA 56 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1qwv h THR 57 N 0.00 1.24 0.00 0.00 2.02 -1.77 -3.19 112.91 111.22 1qwv h THR 57 Ca 0.00 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.33 1qwv h THR 57 Cb 0.68 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1qwv h THR 57 CO 0.00 0.84 -0.12 0.11 0.37 0.00 0.00 175.52 176.71 1qwv h LYS 58 N 0.08 0.00 0.34 6.66 1.57 -0.72 -3.30 116.57 121.19 1qwv h LYS 58 Ca -0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1qwv h LYS 58 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1qwv h LYS 58 CO 0.18 0.00 -0.16 -0.07 -0.57 0.00 0.00 179.45 178.82 1qwv h LEU 59 N 0.00 -0.39 -6.32 2.94 3.38 -1.45 -3.48 115.31 109.99 1qwv h LEU 59 Ca 0.00 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.21 1qwv h LEU 59 Cb 0.80 0.10 -0.27 0.00 0.09 0.00 0.00 40.66 41.38 1qwv h LEU 59 CO 0.00 -0.21 0.45 -0.62 0.09 0.00 0.00 178.44 178.15 1qwv s ASP 60 N -3.29 -0.24 -0.03 -0.43 2.15 -1.21 -5.05 116.67 108.58 1qwv s ASP 60 Ca -0.07 0.34 0.01 0.00 0.43 0.00 0.00 52.55 53.26 1qwv s ASP 60 Cb 0.01 1.26 0.04 0.00 -0.30 0.00 0.00 42.92 43.92 1qwv s ASP 60 CO 0.20 -0.05 0.48 0.55 -0.17 0.00 0.00 175.17 176.19 1qwv n VAL 61 N 4.52 0.00 -3.66 1.11 3.14 -1.26 -4.81 118.33 117.36 1qwv n VAL 61 Ca -0.09 -0.09 -0.38 0.00 -2.96 0.00 0.00 64.34 60.82 1qwv n VAL 61 Cb 0.55 0.41 -0.12 0.00 -1.06 0.00 0.00 33.84 33.62 1qwv n VAL 61 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1qwv s VAL 62 N 0.01 4.67 -0.03 1.55 -7.23 -1.26 -4.22 120.40 113.89 1qwv s VAL 62 Ca 0.01 -0.25 -0.22 0.00 -1.81 0.00 0.00 61.98 59.71 1qwv s VAL 62 Cb 0.04 -3.31 -0.16 0.00 0.56 0.00 0.00 36.38 33.52 1qwv s VAL 62 CO -0.01 0.17 0.99 -0.78 -0.31 0.00 0.00 175.10 175.15 1qwv h ASP 63 N 8.33 -0.23 0.00 4.85 1.82 -1.88 -3.48 116.42 125.83 1qwv h ASP 63 Ca -0.34 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.00 1qwv h ASP 63 Cb 1.16 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.23 1qwv h ASP 63 CO 0.59 0.26 0.00 -0.81 -1.61 0.00 0.00 179.24 177.68 1qwv n PRO 64 N -4.99 3.53 0.00 0.28 -0.05 -1.26 -4.92 135.00 127.59 1qwv n PRO 64 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.37 1qwv n PRO 64 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.71 1qwv n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1qwv n ASP 65 N 0.00 0.01 0.00 3.54 9.92 -1.26 -4.82 116.55 123.94 1qwv n ASP 65 Ca 0.00 -1.67 0.00 0.00 -0.53 0.00 0.00 54.79 52.59 1qwv n ASP 65 Cb 0.00 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1qwv n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qwv n GLY 66 N 0.33 2.20 3.77 0.44 0.00 -1.26 -5.10 105.19 105.57 1qwv n GLY 66 Ca 0.00 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1qwv n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qwv s ASN 67 N 0.00 5.72 -0.89 1.61 4.22 -1.26 -3.92 114.94 120.42 1qwv s ASN 67 Ca 0.00 2.23 -0.01 0.00 -2.14 0.00 0.00 52.86 52.94 1qwv s ASN 67 Cb 0.00 -2.59 0.00 0.00 1.28 0.00 0.00 41.25 39.94 1qwv s ASN 67 CO 0.00 -1.22 0.10 0.18 -2.04 0.00 0.00 177.10 174.12 1qwv n LEU 68 N -1.21 -1.70 -3.62 3.54 7.99 -1.26 -4.56 117.00 116.18 1qwv n LEU 68 Ca 0.11 -0.06 -0.41 0.00 -0.01 0.00 0.00 56.01 55.64 1qwv n LEU 68 Cb 0.50 -1.77 -0.03 0.00 -0.11 0.00 0.00 43.42 42.01 1qwv n LEU 68 CO 0.43 -0.04 2.42 0.00 -1.51 0.00 0.00 177.39 178.70 1qwv n HIS 69 N -3.97 2.51 -0.08 -1.77 1.44 -1.25 -4.57 115.22 107.53 1qwv n HIS 69 Ca -0.11 -2.34 -0.19 0.00 -2.01 0.00 0.00 57.72 53.07 1qwv n HIS 69 Cb 0.59 -2.07 -0.12 0.00 0.12 0.00 0.00 29.99 28.50 1qwv n HIS 69 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1qwv h HIS 70 N 6.91 0.07 0.25 -1.40 6.17 -1.91 -3.31 115.15 121.93 1qwv h HIS 70 Ca 0.51 -0.05 -0.00 0.00 0.71 0.00 0.00 60.37 61.54 1qwv h HIS 70 Cb 0.60 -0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.52 1qwv h HIS 70 CO 1.41 1.36 -0.20 0.78 0.71 0.00 0.00 177.93 181.99 1qwv h GLY 71 N -0.83 -0.47 2.00 5.26 0.00 -1.94 -1.79 103.07 105.30 1qwv h GLY 71 Ca -0.24 0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1qwv h GLY 71 CO -0.11 -0.19 -0.08 3.43 0.00 0.00 0.00 176.54 179.59 1qwv h ASN 72 N -0.46 0.00 -0.04 0.19 2.35 -1.82 -0.16 115.58 115.64 1qwv h ASN 72 Ca -0.01 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 1qwv h ASN 72 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1qwv h ASN 72 CO -0.02 0.08 -0.51 0.00 -1.65 0.00 0.00 177.43 175.34 1qwv h ALA 73 N 1.92 0.71 0.15 -0.83 0.00 -1.43 0.42 119.26 120.19 1qwv h ALA 73 Ca -0.00 -0.49 -0.28 0.00 0.00 0.00 0.00 54.91 54.13 1qwv h ALA 73 Cb 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1qwv h ALA 73 CO 0.01 0.68 -1.28 0.87 0.00 0.00 0.00 179.25 179.53 1qwv h LYS 74 N 0.47 0.31 -0.54 0.00 1.79 -0.86 -2.57 116.57 115.17 1qwv h LYS 74 Ca 0.02 -0.53 -0.07 0.00 -2.18 0.00 0.00 60.65 57.89 1qwv h LYS 74 Cb 1.05 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.87 1qwv h LYS 74 CO 0.10 1.25 0.06 0.22 -1.08 0.00 0.00 179.45 180.00 1qwv h ASP 75 N 0.08 0.83 -0.42 0.86 3.58 -0.97 -1.56 116.42 118.81 1qwv h ASP 75 Ca -0.15 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.08 1qwv h ASP 75 Cb 2.00 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.81 1qwv h ASP 75 CO 0.21 0.85 0.14 0.15 -2.88 0.00 0.00 179.24 177.72 1qwv h PHE 76 N 0.82 0.73 -0.25 0.28 3.57 -0.09 0.53 116.94 122.52 1qwv h PHE 76 Ca 0.17 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.46 1qwv h PHE 76 Cb 0.40 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1qwv h PHE 76 CO 0.02 0.61 -0.46 0.00 -2.23 0.00 0.00 178.31 176.25 1qwv h ALA 77 N 1.45 0.72 -0.08 2.41 0.00 -1.11 -0.70 119.26 121.94 1qwv h ALA 77 Ca 0.16 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.37 1qwv h ALA 77 Cb 0.23 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1qwv h ALA 77 CO -0.01 0.67 -0.87 0.52 0.00 0.00 0.00 179.25 179.56 1qwv h MET 78 N 0.53 0.69 0.00 0.00 2.86 -0.51 -0.14 114.93 118.35 1qwv h MET 78 Ca 0.03 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 1qwv h MET 78 Cb 1.00 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1qwv h MET 78 CO 0.09 1.24 -0.18 1.17 1.06 0.00 0.00 176.91 180.28 1qwv n LYS 79 N -3.88 0.13 -3.43 1.72 4.81 0.18 -4.46 118.16 113.23 1qwv n LYS 79 Ca -0.08 0.08 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1qwv n LYS 79 Cb 0.79 -1.63 -0.11 0.00 0.02 0.00 0.00 35.03 34.11 1qwv n LYS 79 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1qwv s HIS 80 N -3.06 0.02 0.00 5.64 3.76 -0.27 -4.98 115.29 116.39 1qwv s HIS 80 Ca 0.11 -0.86 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 1qwv s HIS 80 Cb 0.16 -0.63 0.00 0.00 1.11 0.00 0.00 32.58 33.22 1qwv s HIS 80 CO 0.61 -0.90 0.00 0.41 -0.85 0.00 0.00 174.74 174.01 1qwv n GLY 81 N 4.66 2.58 3.71 -2.22 0.00 -1.23 -4.39 105.19 108.30 1qwv n GLY 81 Ca 0.05 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 1qwv n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwv s ALA 82 N 0.00 3.41 0.81 4.61 0.00 -0.07 -4.43 121.76 126.09 1qwv s ALA 82 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 1qwv s ALA 82 Cb 0.00 -1.63 0.13 0.00 0.00 0.00 0.00 23.12 21.61 1qwv s ALA 82 CO 0.00 0.53 1.14 0.16 0.00 0.00 0.00 175.76 177.59 1qwv s ASP 83 N -0.71 4.06 0.34 0.00 -4.77 -1.26 -4.06 116.67 110.28 1qwv s ASP 83 Ca 0.12 0.26 0.03 0.00 -3.30 0.00 0.00 52.55 49.66 1qwv s ASP 83 Cb -0.12 -0.62 0.61 0.00 -1.09 0.00 0.00 42.92 41.71 1qwv s ASP 83 CO 0.02 -2.10 1.93 -0.33 0.70 0.00 0.00 175.17 175.39 1qwv h GLU 84 N -1.02 0.67 -0.75 2.11 5.08 -1.98 -1.81 114.58 116.87 1qwv h GLU 84 Ca -0.43 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 1qwv h GLU 84 Cb 1.28 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1qwv h GLU 84 CO 0.49 0.56 0.39 0.00 -1.00 0.00 0.00 179.01 179.45 1qwv h THR 85 N 0.66 1.23 0.23 1.13 1.03 -1.97 0.50 112.91 115.72 1qwv h THR 85 Ca 0.16 -0.61 -0.34 0.00 -0.01 0.00 0.00 66.41 65.62 1qwv h THR 85 Cb 0.14 0.24 0.03 0.00 -1.07 0.00 0.00 68.15 67.49 1qwv h THR 85 CO -0.01 0.26 -1.53 0.24 -0.01 0.00 0.00 175.52 174.47 1qwv h MET 86 N 1.06 0.48 -0.95 0.00 2.86 -1.73 -0.61 114.93 116.04 1qwv h MET 86 Ca 0.26 -0.82 -0.00 0.00 -2.06 0.00 0.00 59.70 57.08 1qwv h MET 86 Cb 0.06 0.31 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 1qwv h MET 86 CO -0.04 1.39 0.59 0.00 1.06 0.00 0.00 176.91 179.91 1qwv h ALA 87 N 0.19 1.26 0.00 6.32 0.00 -1.24 -1.73 119.26 124.05 1qwv h ALA 87 Ca -0.27 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1qwv h ALA 87 Cb 2.14 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1qwv h ALA 87 CO 0.25 0.65 -0.44 1.96 0.00 0.00 0.00 179.25 181.67 1qwv h GLN 88 N 1.30 0.00 0.00 0.00 7.50 0.20 0.95 115.11 125.06 1qwv h GLN 88 Ca 0.34 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.42 1qwv h GLN 88 Cb -0.09 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.43 1qwv h GLN 88 CO -0.07 0.44 -0.33 1.96 -1.50 0.00 0.00 178.83 179.33 1qwv h GLN 89 N 0.00 0.00 0.02 1.46 1.08 -0.67 -3.26 115.11 113.73 1qwv h GLN 89 Ca -0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 1qwv h GLN 89 Cb 1.03 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 1qwv h GLN 89 CO 0.06 0.33 -0.78 -0.07 -0.95 0.00 0.00 178.83 177.42 1qwv h LEU 90 N 0.00 0.06 -1.07 1.46 -0.00 -0.74 -3.35 115.31 111.67 1qwv h LEU 90 Ca -0.00 -0.76 0.05 0.00 -0.00 0.00 0.00 57.88 57.17 1qwv h LEU 90 Cb 1.18 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 41.76 1qwv h LEU 90 CO 0.04 1.31 0.63 -0.37 -0.00 0.00 0.00 178.44 180.05 1qwv h VAL 91 N -0.89 1.12 -0.25 1.22 -1.51 -0.94 -0.25 116.25 114.74 1qwv h VAL 91 Ca -0.20 -0.40 -0.12 0.00 -1.23 0.00 0.00 66.70 64.75 1qwv h VAL 91 Cb 1.25 -0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1qwv h VAL 91 CO -0.08 0.21 -0.29 -0.78 -1.23 0.00 0.00 177.57 175.39 1qwv h ASP 92 N 1.16 0.70 -0.62 4.19 3.58 -1.76 -2.46 116.42 121.21 1qwv h ASP 92 Ca 0.40 -0.49 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 1qwv h ASP 92 Cb 0.10 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 1qwv h ASP 92 CO -0.14 1.05 0.24 0.40 -2.88 0.00 0.00 179.24 177.90 1qwv h ILE 93 N 0.37 1.24 -0.55 2.25 1.08 -1.57 -1.69 117.51 118.63 1qwv h ILE 93 Ca 0.04 -0.76 0.11 0.00 -0.39 0.00 0.00 64.86 63.85 1qwv h ILE 93 Cb 0.87 0.56 -0.09 0.00 -3.07 0.00 0.00 36.82 35.09 1qwv h ILE 93 CO 0.07 0.29 0.05 0.40 -0.69 0.00 0.00 178.15 178.28 1qwv h ILE 94 N 0.88 0.61 -0.21 -0.67 2.04 -0.87 0.54 117.51 119.83 1qwv h ILE 94 Ca 0.21 -0.06 -0.16 0.00 1.00 0.00 0.00 64.86 65.85 1qwv h ILE 94 Cb 0.23 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1qwv h ILE 94 CO -0.01 0.03 -0.52 0.45 0.00 0.00 0.00 178.15 178.10 1qwv h HIS 95 N 0.18 0.73 0.01 1.37 3.86 -1.09 -2.28 115.15 117.92 1qwv h HIS 95 Ca 0.28 -0.25 -0.12 0.00 -1.16 0.00 0.00 60.37 59.13 1qwv h HIS 95 Cb 0.43 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1qwv h HIS 95 CO -0.29 0.98 -0.64 0.78 0.86 0.00 0.00 177.93 179.62 1qwv h GLY 96 N 1.03 0.02 1.51 2.45 0.00 -0.57 -2.61 103.07 104.91 1qwv h GLY 96 Ca 0.02 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 1qwv h GLY 96 CO 0.10 0.05 -0.56 0.00 0.00 0.00 0.00 176.54 176.13 1qwv h GLU 98 N 0.39 0.91 -0.44 0.00 5.08 -1.52 0.25 114.58 119.25 1qwv h GLU 98 Ca 0.00 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1qwv h GLU 98 Cb 1.10 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1qwv h GLU 98 CO 0.10 0.81 0.04 -0.22 -1.00 0.00 0.00 179.01 178.74 1qwv h LYS 99 N 0.87 0.68 -0.51 2.33 3.64 -1.04 -2.73 116.57 119.82 1qwv h LYS 99 Ca 0.19 -0.15 -0.18 0.00 -1.27 0.00 0.00 60.65 59.24 1qwv h LYS 99 Cb 0.31 -0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 31.93 1qwv h LYS 99 CO -0.00 0.67 0.13 0.43 -2.27 0.00 0.00 179.45 178.41 1qwv n SER 100 N -4.26 3.67 -4.85 4.20 7.64 -0.51 -5.01 113.62 114.50 1qwv n SER 100 Ca 0.02 -3.40 -0.33 0.00 1.01 0.00 0.00 58.87 56.18 1qwv n SER 100 Cb 0.25 -0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 62.73 1qwv n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qwv s ALA 101 N -3.07 3.40 0.62 -0.43 0.00 0.84 -4.97 121.76 118.15 1qwv s ALA 101 Ca 0.48 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 1qwv s ALA 101 Cb 0.41 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.83 1qwv s ALA 101 CO 0.07 0.39 1.26 -2.30 0.00 0.00 0.00 175.76 175.18 1qwv n PRO 102 N -0.23 1.19 -1.08 0.00 -0.02 -1.26 -4.83 135.00 128.77 1qwv n PRO 102 Ca 0.02 0.46 -0.40 0.00 -2.02 0.00 0.00 63.50 61.56 1qwv n PRO 102 Cb 0.53 -2.49 -0.08 0.00 -0.02 0.00 0.00 33.50 31.44 1qwv n PRO 102 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qwv n PRO 103 N -1.61 0.95 -3.32 0.52 -0.02 -1.26 -4.80 135.00 125.47 1qwv n PRO 103 Ca 0.15 -1.65 -0.47 0.00 -2.02 0.00 0.00 63.50 59.51 1qwv n PRO 103 Cb 0.47 -2.95 -0.03 0.00 -0.02 0.00 0.00 33.50 30.97 1qwv n PRO 103 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1qwv s ASN 104 N 6.04 6.67 -1.33 2.55 0.01 -1.26 -4.98 114.94 122.63 1qwv s ASN 104 Ca 0.64 -2.53 -0.16 0.00 -0.71 0.00 0.00 52.86 50.09 1qwv s ASN 104 Cb 0.12 -2.21 0.08 0.00 0.41 0.00 0.00 41.25 39.64 1qwv s ASN 104 CO 0.20 -0.63 1.83 0.47 -1.51 0.00 0.00 177.10 177.46 1qwv n ASP 105 N 4.24 4.72 -3.72 -1.22 8.00 -1.26 -4.30 116.55 123.01 1qwv n ASP 105 Ca 0.10 -2.91 -0.13 0.00 0.71 0.00 0.00 54.79 52.55 1qwv n ASP 105 Cb 0.46 -1.70 -0.14 0.00 -0.02 0.00 0.00 41.12 39.72 1qwv n ASP 105 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qwv s ASP 106 N 3.74 -0.09 0.10 -2.24 -1.08 -1.26 -5.04 116.67 110.80 1qwv s ASP 106 Ca 0.51 0.44 -0.10 0.00 -0.52 0.00 0.00 52.55 52.88 1qwv s ASP 106 Cb 0.06 0.35 0.07 0.00 -1.46 0.00 0.00 42.92 41.94 1qwv s ASP 106 CO 0.03 -0.17 0.72 1.17 0.52 0.00 0.00 175.17 177.43 1qwv n LYS 107 N 4.40 -0.14 0.04 4.34 4.81 -1.26 -0.83 118.16 129.53 1qwv n LYS 107 Ca -0.23 0.71 0.11 0.00 -0.87 0.00 0.00 58.31 58.03 1qwv n LYS 107 Cb 0.52 -1.05 -0.01 0.00 0.02 0.00 0.00 35.03 34.51 1qwv n LYS 107 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qwv h MET 109 N 0.00 0.17 -0.04 0.00 2.86 -1.30 -2.84 114.93 113.78 1qwv h MET 109 Ca 0.00 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1qwv h MET 109 Cb 0.85 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.54 1qwv h MET 109 CO 0.00 0.84 0.02 1.57 1.06 0.00 0.00 176.91 180.40 1qwv h LYS 110 N 0.11 0.06 0.00 1.72 -0.00 -1.66 -1.27 116.57 115.52 1qwv h LYS 110 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.62 1qwv h LYS 110 Cb 1.32 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.54 1qwv h LYS 110 CO 0.11 0.17 0.07 2.41 -0.00 0.00 0.00 179.45 182.21 1qwv n THR 111 N -4.99 1.05 0.02 0.07 -1.04 -1.17 -1.62 114.28 106.59 1qwv n THR 111 Ca -0.07 0.71 -0.21 0.00 -2.04 0.00 0.00 64.05 62.44 1qwv n THR 111 Cb 0.09 -1.71 -0.14 0.00 -1.82 0.00 0.00 70.33 66.75 1qwv n THR 111 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1qwv h ILE 112 N 0.00 0.69 -0.44 12.58 5.03 -1.01 -2.17 117.51 132.19 1qwv h ILE 112 Ca 0.00 -2.39 -0.04 0.00 -0.12 0.00 0.00 64.86 62.32 1qwv h ILE 112 Cb 0.14 2.56 -0.02 0.00 -3.03 0.00 0.00 36.82 36.47 1qwv h ILE 112 CO 0.00 0.89 0.12 -0.78 -0.68 0.00 0.00 178.15 177.70 1qwv h ASP 113 N 0.08 0.60 0.36 1.72 1.82 -0.71 0.72 116.42 121.01 1qwv h ASP 113 Ca -0.40 -0.09 -0.31 0.00 -0.39 0.00 0.00 57.03 55.84 1qwv h ASP 113 Cb 2.05 -0.16 0.03 0.00 0.68 0.00 0.00 39.33 41.93 1qwv h ASP 113 CO 0.11 0.59 -1.34 -0.37 -1.61 0.00 0.00 179.24 176.61 1qwv h VAL 114 N 0.64 1.36 -0.09 2.25 -1.51 -1.51 -2.30 116.25 115.09 1qwv h VAL 114 Ca 0.15 -2.76 0.00 0.00 -1.23 0.00 0.00 66.70 62.85 1qwv h VAL 114 Cb 0.22 2.93 -0.00 0.00 -2.13 0.00 0.00 31.29 32.30 1qwv h VAL 114 CO -0.01 0.82 0.06 0.00 -1.23 0.00 0.00 177.57 177.21 1qwv h ALA 115 N 0.34 0.11 0.00 5.19 0.00 -1.02 -0.34 119.26 123.55 1qwv h ALA 115 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1qwv h ALA 115 Cb 2.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1qwv h ALA 115 CO 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1qwv h MET 116 N 0.10 0.00 0.00 0.00 -0.00 -0.96 -0.84 114.93 113.23 1qwv h MET 116 Ca 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.68 1qwv h MET 116 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.60 1qwv h MET 116 CO -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 176.91 176.64 1qwv h PHE 118 N 0.00 0.97 0.00 0.00 3.57 0.37 -2.59 116.94 119.26 1qwv h PHE 118 Ca -0.00 -0.61 -0.08 0.00 3.53 0.00 0.00 57.97 60.81 1qwv h PHE 118 Cb 0.84 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1qwv h PHE 118 CO 0.00 1.45 -0.38 1.57 -2.23 0.00 0.00 178.31 178.72 1qwv h LYS 119 N 0.22 0.00 0.32 1.11 2.10 -1.31 0.48 116.57 119.49 1qwv h LYS 119 Ca -0.18 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.47 1qwv h LYS 119 Cb 1.86 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.18 1qwv h LYS 119 CO 0.23 0.38 -0.24 0.87 -2.00 0.00 0.00 179.45 178.68 1qwv h LYS 120 N 0.00 -0.55 0.13 0.07 6.56 -1.38 0.13 116.57 121.53 1qwv h LYS 120 Ca -0.00 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1qwv h LYS 120 Cb 0.68 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.46 1qwv h LYS 120 CO 0.05 -0.37 -0.11 0.93 -2.06 0.00 0.00 179.45 177.89 1qwv h GLU 121 N -0.57 -0.25 -0.84 3.15 4.39 -1.10 -2.23 114.58 117.14 1qwv h GLU 121 Ca -0.02 0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.82 1qwv h GLU 121 Cb 0.49 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.14 1qwv h GLU 121 CO -0.00 -0.17 0.55 0.97 -1.16 0.00 0.00 179.01 179.19 1qwv h ILE 122 N -0.26 0.87 -0.07 3.13 -0.00 0.04 0.63 117.51 121.85 1qwv h ILE 122 Ca 0.00 -0.23 -0.13 0.00 -0.00 0.00 0.00 64.86 64.50 1qwv h ILE 122 Cb 0.24 0.14 -0.01 0.00 -0.00 0.00 0.00 36.82 37.19 1qwv h ILE 122 CO -0.02 0.12 -0.53 0.45 -0.00 0.00 0.00 178.15 178.17 1qwv h HIS 123 N 0.68 0.24 -0.12 2.19 3.86 -0.44 -1.04 115.15 120.52 1qwv h HIS 123 Ca 0.41 -0.08 -0.14 0.00 -1.16 0.00 0.00 60.37 59.39 1qwv h HIS 123 Cb 0.63 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1qwv h HIS 123 CO -0.00 0.69 -0.55 -0.22 0.86 0.00 0.00 177.93 178.71 1qwv h LYS 124 N 0.15 0.35 -0.23 2.45 3.64 -0.51 -2.77 116.57 119.65 1qwv h LYS 124 Ca 0.00 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.08 1qwv h LYS 124 Cb 0.99 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1qwv h LYS 124 CO 0.08 0.81 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.81 1qwv h LEU 125 N 0.27 0.40 -0.81 5.20 3.38 -0.59 -3.50 115.31 119.66 1qwv h LEU 125 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1qwv h LEU 125 Cb 1.05 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1qwv h LEU 125 CO 0.09 0.62 -0.20 0.59 0.09 0.00 0.00 178.44 179.62 1qwv n ASN 126 N -4.17 -3.52 0.00 -0.43 3.02 -0.42 -4.98 115.26 104.75 1qwv n ASN 126 Ca -0.00 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1qwv n ASN 126 Cb 0.35 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.20 1qwv n ASN 126 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1qwv n TRP 127 N 0.17 -0.41 -4.34 3.10 7.02 -1.26 -4.80 117.44 116.92 1qwv n TRP 127 Ca 0.00 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.25 1qwv n TRP 127 Cb 0.00 0.09 -0.16 0.00 -2.42 0.00 0.00 31.31 28.82 1qwv n TRP 127 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1qwv s VAL 128 N 0.00 0.84 -1.42 -0.99 0.11 -1.26 -4.97 120.40 112.71 1qwv s VAL 128 Ca 0.00 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 1qwv s VAL 128 Cb 0.00 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1qwv s VAL 128 CO 0.00 0.29 0.59 -2.65 -3.33 0.00 0.00 175.10 170.01 1qwv n PRO 129 N 4.00 0.83 -4.55 1.54 -0.02 -1.26 -4.71 135.00 130.84 1qwv n PRO 129 Ca -0.23 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.92 1qwv n PRO 129 Cb 0.51 -1.24 -0.15 0.00 -0.02 0.00 0.00 33.50 32.60 1qwv n PRO 129 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1qwv s ASN 130 N -0.58 3.71 -0.52 2.55 3.84 -1.26 -5.08 114.94 117.60 1qwv s ASN 130 Ca 0.00 -0.45 -0.17 0.00 0.21 0.00 0.00 52.86 52.45 1qwv s ASN 130 Cb 0.00 -1.57 0.10 0.00 -0.55 0.00 0.00 41.25 39.22 1qwv s ASN 130 CO 0.00 0.09 0.51 -0.04 -2.79 0.00 0.00 177.10 174.88 1qwv s MET 131 N 0.77 3.01 -0.45 0.43 -1.94 -1.26 -4.91 119.30 114.96 1qwv s MET 131 Ca -0.06 -1.41 -0.13 0.00 -1.71 0.00 0.00 55.69 52.38 1qwv s MET 131 Cb -0.15 -4.21 0.07 0.00 2.01 0.00 0.00 34.83 32.55 1qwv s MET 131 CO 0.01 -1.24 0.33 0.16 -0.01 0.00 0.00 175.02 174.27 1qwv s ASP 132 N 3.13 5.93 0.42 3.03 -4.77 -1.26 -4.93 116.67 118.22 1qwv s ASP 132 Ca 0.06 -1.37 0.14 0.00 -3.30 0.00 0.00 52.55 48.08 1qwv s ASP 132 Cb -0.26 -2.10 0.88 0.00 -1.09 0.00 0.00 42.92 40.36 1qwv s ASP 132 CO 0.06 -0.59 1.92 0.25 0.70 0.00 0.00 175.17 177.51 1qwv h LEU 133 N 8.60 0.00 -9.18 2.11 5.85 -2.06 -3.41 115.31 117.23 1qwv h LEU 133 Ca -0.26 -0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.90 1qwv h LEU 133 Cb 1.10 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1qwv h LEU 133 CO 0.82 0.26 1.17 0.68 -0.34 0.00 0.00 178.44 181.03 1qwv s VAL 134 N -4.46 3.46 -0.23 1.05 -7.23 -1.26 -4.98 120.40 106.75 1qwv s VAL 134 Ca -0.03 0.54 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 1qwv s VAL 134 Cb 0.15 -3.41 0.03 0.00 0.56 0.00 0.00 36.38 33.71 1qwv s VAL 134 CO 0.71 -0.12 -0.11 0.27 -0.31 0.00 0.00 175.10 175.54 1qwv s ILE 135 N 4.93 2.50 0.23 -0.62 -5.25 -1.26 -4.78 121.20 116.95 1qwv s ILE 135 Ca 0.78 -1.09 -0.32 0.00 -0.99 0.00 0.00 60.65 59.03 1qwv s ILE 135 Cb -0.32 -2.24 -0.13 0.00 2.95 0.00 0.00 42.46 42.72 1qwv s ILE 135 CO 0.32 0.27 1.47 0.61 -1.79 0.00 0.00 174.94 175.83 1qwv n GLY 136 N 4.61 0.94 3.77 6.27 0.00 -1.26 -4.92 105.19 114.60 1qwv n GLY 136 Ca -0.17 0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 1qwv n GLY 136 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qwv s GLU 137 N -0.09 4.32 0.00 1.61 2.12 -1.26 -5.02 118.70 120.38 1qwv s GLU 137 Ca 0.70 2.26 0.01 0.00 0.36 0.00 0.00 54.97 58.30 1qwv s GLU 137 Cb -0.63 -3.06 -0.00 0.00 0.26 0.00 0.00 34.13 30.69 1qwv s GLU 137 CO 0.46 -0.24 -0.03 0.54 -0.54 0.00 0.00 175.26 175.45 1qwv s VAL 138 N -1.09 0.26 -0.12 3.70 0.11 -1.26 -5.14 120.40 116.87 1qwv s VAL 138 Ca 0.50 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.33 1qwv s VAL 138 Cb -0.41 -0.25 -0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1qwv s VAL 138 CO 0.54 0.01 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.89 1qwv s LEU 139 N -0.26 2.27 0.16 2.54 0.20 -1.26 -5.01 118.68 117.33 1qwv s LEU 139 Ca -0.00 -0.50 0.25 0.00 0.69 0.00 0.00 54.13 54.57 1qwv s LEU 139 Cb -0.02 -1.47 0.64 0.00 -0.43 0.00 0.00 46.19 44.91 1qwv s LEU 139 CO -0.00 0.15 1.60 0.00 -0.29 0.00 0.00 176.35 177.81 1qwv n ALA 140 N 3.62 2.56 -2.78 5.97 0.00 -1.26 -4.84 120.51 123.79 1qwv n ALA 140 Ca -0.19 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 52.82 1qwv n ALA 140 Cb 0.53 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 1qwv n ALA 140 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1qwv s GLU 141 N -3.12 2.91 0.00 0.00 2.02 -1.26 -5.20 118.70 114.05 1qwv s GLU 141 Ca 0.09 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1qwv s GLU 141 Cb 0.13 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1qwv s GLU 141 CO 0.64 0.57 0.18 1.33 0.02 0.00 0.00 175.26 178.00