#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vrf s LEU 2 N 0.00 4.29 0.45 0.99 2.01 -1.26 -5.01 118.68 120.15 1vrf s LEU 2 Ca 0.00 2.32 0.08 0.00 0.01 0.00 0.00 54.13 56.54 1vrf s LEU 2 Cb 0.00 -3.92 0.00 0.00 0.01 0.00 0.00 46.19 42.29 1vrf s LEU 2 CO 0.00 -0.52 0.45 -0.94 1.01 0.00 0.00 176.35 176.35 1vrf s SER 3 N -1.07 5.06 0.43 2.29 1.04 -1.26 -4.93 113.70 115.27 1vrf s SER 3 Ca 0.53 -0.80 0.14 0.00 0.48 0.00 0.00 55.95 56.31 1vrf s SER 3 Cb -0.31 -0.34 0.93 0.00 0.10 0.00 0.00 66.02 66.41 1vrf s SER 3 CO 0.39 -0.81 1.95 0.00 0.98 0.00 0.00 173.24 175.76 1vrf h ALA 4 N 0.85 1.63 0.01 5.32 0.00 -1.99 -1.47 119.26 123.60 1vrf h ALA 4 Ca -0.39 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1vrf h ALA 4 Cb 1.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1vrf h ALA 4 CO 0.54 0.28 -0.27 0.00 0.00 0.00 0.00 179.25 179.80 1vrf h ALA 5 N 1.77 0.04 -0.19 0.00 0.00 -1.99 -3.21 119.26 115.68 1vrf h ALA 5 Ca -0.00 -0.63 0.05 0.00 0.00 0.00 0.00 54.91 54.32 1vrf h ALA 5 Cb 0.40 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1vrf h ALA 5 CO 0.03 0.15 -0.12 1.96 0.00 0.00 0.00 179.25 181.27 1vrf h GLN 6 N -0.95 -0.11 -0.99 0.00 4.20 -1.90 0.66 115.11 116.03 1vrf h GLN 6 Ca -0.07 0.01 0.23 0.00 0.06 0.00 0.00 58.65 58.88 1vrf h GLN 6 Cb 1.10 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.82 1vrf h GLN 6 CO -0.02 -0.07 0.63 -0.09 -0.67 0.00 0.00 178.83 178.61 1vrf h ARG 7 N -0.11 0.48 0.14 1.46 2.43 -1.41 0.19 114.38 117.56 1vrf h ARG 7 Ca 0.11 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 59.03 1vrf h ARG 7 Cb 0.27 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1vrf h ARG 7 CO -0.26 0.31 -0.93 0.37 -1.51 0.00 0.00 179.97 177.96 1vrf h GLN 8 N 0.49 0.38 0.00 0.20 5.75 -0.96 -3.17 115.11 117.80 1vrf h GLN 8 Ca 0.56 -0.60 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1vrf h GLN 8 Cb 1.26 0.22 0.00 0.00 1.07 0.00 0.00 27.48 30.03 1vrf h GLN 8 CO -0.29 1.27 0.00 0.28 -2.65 0.00 0.00 178.83 177.44 1vrf h VAL 9 N -0.21 0.00 0.01 2.39 2.07 0.20 -2.19 116.25 118.53 1vrf h VAL 9 Ca -0.16 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1vrf h VAL 9 Cb 1.71 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1vrf h VAL 9 CO 0.18 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.34 1vrf h VAL 10 N 0.00 1.52 0.00 2.57 2.07 -0.69 -2.84 116.25 118.88 1vrf h VAL 10 Ca 0.00 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1vrf h VAL 10 Cb 0.05 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1vrf h VAL 10 CO 0.00 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.03 1vrf n ALA 11 N -2.51 1.51 0.08 1.67 0.00 -0.90 -1.58 120.51 118.77 1vrf n ALA 11 Ca -0.09 0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.47 1vrf n ALA 11 Cb 0.36 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 1vrf n ALA 11 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1vrf h SER 12 N 0.00 0.00 0.19 0.00 0.02 -1.37 -3.17 113.55 109.22 1vrf h SER 12 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vrf h SER 12 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1vrf h SER 12 CO 0.00 0.57 -1.35 0.35 -1.14 0.00 0.00 176.83 175.26 1vrf n THR 13 N -3.05 0.08 0.12 -2.27 -2.24 -0.84 -4.13 114.28 101.95 1vrf n THR 13 Ca -0.04 -0.27 0.11 0.00 -2.27 0.00 0.00 64.05 61.58 1vrf n THR 13 Cb 0.80 0.34 0.02 0.00 -2.10 0.00 0.00 70.33 69.39 1vrf n THR 13 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1vrf h TRP 14 N 0.00 0.00 -0.02 4.78 7.01 -1.40 -3.12 115.95 123.21 1vrf h TRP 14 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1vrf h TRP 14 Cb 0.77 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.83 1vrf h TRP 14 CO 0.00 0.01 0.00 1.63 -2.79 0.00 0.00 178.44 177.29 1vrf n LYS 15 N -2.74 1.11 0.00 2.65 5.02 -1.20 -2.98 118.16 120.02 1vrf n LYS 15 Ca 0.00 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1vrf n LYS 15 Cb 0.55 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1vrf n LYS 15 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vrf n ASP 16 N -0.64 0.03 -0.01 4.39 9.92 -1.24 -4.19 116.55 124.83 1vrf n ASP 16 Ca 0.15 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.29 1vrf n ASP 16 Cb 0.10 -0.01 -0.08 0.00 -0.64 0.00 0.00 41.12 40.50 1vrf n ASP 16 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1vrf h ILE 17 N 0.00 1.23 0.07 0.53 2.04 -1.68 -3.27 117.51 116.42 1vrf h ILE 17 Ca 0.00 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1vrf h ILE 17 Cb 0.94 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1vrf h ILE 17 CO 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 178.15 178.30 1vrf h ALA 18 N 0.74 -0.10 -0.32 1.87 0.00 -1.79 -3.37 119.26 116.30 1vrf h ALA 18 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1vrf h ALA 18 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1vrf h ALA 18 CO 0.00 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.42 1vrf n GLY 19 N 0.60 0.52 0.06 0.00 0.00 -1.24 -0.10 105.19 105.03 1vrf n GLY 19 Ca -0.08 0.72 -0.07 0.00 0.00 0.00 0.00 46.02 46.59 1vrf n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vrf n SER 20 N 4.24 2.53 0.16 1.61 3.41 -1.26 -4.43 113.62 119.88 1vrf n SER 20 Ca 0.00 -0.03 0.13 0.00 -0.26 0.00 0.00 58.87 58.72 1vrf n SER 20 Cb 0.00 0.43 0.54 0.00 -0.26 0.00 0.00 64.21 64.91 1vrf n SER 20 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1vrf h ASP 21 N 0.00 0.00 -0.77 4.04 2.03 -0.94 -3.46 116.42 117.33 1vrf h ASP 21 Ca -0.30 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.67 1vrf h ASP 21 Cb 1.60 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.97 1vrf h ASP 21 CO -0.01 0.00 -0.30 -3.20 -1.03 0.00 0.00 179.24 174.71 1vrf n ASN 22 N -2.44 -5.22 0.00 4.15 5.15 0.86 -1.87 115.26 115.89 1vrf n ASN 22 Ca 0.02 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1vrf n ASN 22 Cb 0.25 -4.14 0.00 0.00 -0.53 0.00 0.00 39.78 35.36 1vrf n ASN 22 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vrf n GLY 23 N -0.62 1.70 0.23 8.20 0.00 -1.25 -3.78 105.19 109.67 1vrf n GLY 23 Ca -0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 1vrf n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vrf h ALA 24 N 0.00 0.73 -0.30 4.61 0.00 -1.68 0.23 119.26 122.84 1vrf h ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vrf h ALA 24 Cb 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1vrf h ALA 24 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1vrf n GLY 25 N -1.26 1.46 0.08 0.00 0.00 -1.26 -3.42 105.19 100.79 1vrf n GLY 25 Ca 0.05 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1vrf n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vrf n VAL 26 N 0.39 1.00 0.02 1.61 0.31 0.02 -4.17 118.33 117.50 1vrf n VAL 26 Ca 0.12 -0.55 -0.21 0.00 -0.01 0.00 0.00 64.34 63.69 1vrf n VAL 26 Cb 0.51 -0.76 -0.14 0.00 -0.91 0.00 0.00 33.84 32.53 1vrf n VAL 26 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1vrf h GLY 27 N 2.44 0.31 2.00 2.92 0.00 -1.54 -2.41 103.07 106.79 1vrf h GLY 27 Ca -0.39 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.11 1vrf h GLY 27 CO -0.00 0.69 -0.19 0.07 0.00 0.00 0.00 176.54 177.11 1vrf h LYS 28 N 0.07 0.00 0.00 4.80 2.10 -1.78 -0.11 116.57 121.65 1vrf h LYS 28 Ca -0.40 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1vrf h LYS 28 Cb 2.04 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.37 1vrf h LYS 28 CO 0.11 0.20 -1.31 -0.85 -2.00 0.00 0.00 179.45 175.59 1vrf n GLU 29 N -4.31 0.54 -0.05 0.07 0.28 -1.25 -3.51 120.64 112.41 1vrf n GLU 29 Ca -0.02 -0.01 -0.02 0.00 -0.16 0.00 0.00 57.16 56.95 1vrf n GLU 29 Cb 0.26 -1.68 -0.01 0.00 1.43 0.00 0.00 31.44 31.44 1vrf n GLU 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vrf h PHE 31 N -0.82 0.37 0.14 0.00 0.04 -1.26 -2.50 116.94 112.91 1vrf h PHE 31 Ca 0.00 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1vrf h PHE 31 Cb 0.20 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.18 1vrf h PHE 31 CO -0.08 0.19 -0.52 1.79 -0.60 0.00 0.00 178.31 179.09 1vrf h THR 32 N 0.37 0.00 -0.94 -1.55 1.35 -1.71 0.47 112.91 110.90 1vrf h THR 32 Ca 0.22 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.13 1vrf h THR 32 Cb 0.40 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.76 1vrf h THR 32 CO -0.05 0.00 0.61 0.11 -0.25 0.00 0.00 175.52 175.94 1vrf h LYS 33 N -0.76 1.11 0.70 4.72 1.57 -1.57 -1.57 116.57 120.78 1vrf h LYS 33 Ca -0.01 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1vrf h LYS 33 Cb 0.76 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1vrf h LYS 33 CO -0.28 0.73 -0.34 0.35 -0.57 0.00 0.00 179.45 179.35 1vrf h PHE 34 N 1.14 -0.88 -0.77 -1.35 3.57 -0.80 0.91 116.94 118.77 1vrf h PHE 34 Ca 0.38 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 62.00 1vrf h PHE 34 Cb 0.08 0.29 -0.09 0.00 2.79 0.00 0.00 35.95 39.01 1vrf h PHE 34 CO -0.00 -0.54 0.34 -0.07 -2.23 0.00 0.00 178.31 175.81 1vrf h LEU 35 N -0.95 0.35 0.00 0.59 3.38 0.21 0.74 115.31 119.63 1vrf h LEU 35 Ca -0.10 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vrf h LEU 35 Cb 0.73 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1vrf h LEU 35 CO 0.16 0.15 0.00 -1.54 0.09 0.00 0.00 178.44 177.29 1vrf n SER 36 N -4.96 0.00 0.05 -0.43 3.41 -0.62 -2.63 113.62 108.44 1vrf n SER 36 Ca 0.15 0.85 0.21 0.00 -0.26 0.00 0.00 58.87 59.82 1vrf n SER 36 Cb 0.41 -0.45 0.68 0.00 -0.26 0.00 0.00 64.21 64.58 1vrf n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vrf h ALA 37 N -2.00 2.24 -3.37 7.33 0.00 -0.69 -3.20 119.26 119.57 1vrf h ALA 37 Ca 0.00 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1vrf h ALA 37 Cb 0.00 0.04 -0.38 0.00 0.00 0.00 0.00 17.79 17.44 1vrf h ALA 37 CO 0.00 -0.87 -0.58 -1.01 0.00 0.00 0.00 179.25 176.79 1vrf s HIS 38 N -4.53 3.43 -0.46 0.00 3.76 0.25 -4.91 115.29 112.85 1vrf s HIS 38 Ca -0.04 -2.92 0.23 0.00 -0.15 0.00 0.00 55.06 52.18 1vrf s HIS 38 Cb 0.14 -2.99 0.36 0.00 1.11 0.00 0.00 32.58 31.21 1vrf s HIS 38 CO 0.50 -0.85 1.61 0.45 -0.85 0.00 0.00 174.74 175.61 1vrf h HIS 39 N 7.10 0.00 0.00 1.40 -0.00 -1.54 -2.62 115.15 119.48 1vrf h HIS 39 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1vrf h HIS 39 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.37 1vrf h HIS 39 CO 0.56 0.00 0.00 0.38 -0.00 0.00 0.00 177.93 178.87 1vrf h ASP 40 N 0.00 0.00 0.00 2.45 2.03 -1.91 -3.11 116.42 115.88 1vrf h ASP 40 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 1vrf h ASP 40 Cb 0.99 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.46 1vrf h ASP 40 CO 0.00 0.00 -1.81 0.23 -1.03 0.00 0.00 179.24 176.63 1vrf n MET 41 N -2.85 1.12 -0.34 4.15 2.81 -1.17 -4.40 117.12 116.43 1vrf n MET 41 Ca 0.01 -0.07 0.22 0.00 -1.81 0.00 0.00 57.70 56.05 1vrf n MET 41 Cb 0.31 -1.35 0.47 0.00 -0.71 0.00 0.00 33.22 31.94 1vrf n MET 41 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vrf h ALA 42 N 1.01 2.09 0.00 3.04 0.00 -1.39 1.19 119.26 125.20 1vrf h ALA 42 Ca -0.19 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1vrf h ALA 42 Cb 1.27 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1vrf h ALA 42 CO 0.01 -0.56 -0.26 0.00 0.00 0.00 0.00 179.25 178.45 1vrf h ALA 43 N 1.67 0.85 -0.09 0.00 0.00 -1.77 -2.60 119.26 117.33 1vrf h ALA 43 Ca 0.64 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 55.14 1vrf h ALA 43 Cb 1.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1vrf h ALA 43 CO -0.39 0.32 -0.69 0.28 0.00 0.00 0.00 179.25 178.77 1vrf h VAL 44 N 0.00 1.38 0.01 0.00 2.07 0.12 -3.24 116.25 116.59 1vrf h VAL 44 Ca -0.00 -2.09 -0.21 0.00 0.82 0.00 0.00 66.70 65.22 1vrf h VAL 44 Cb 1.12 2.06 0.02 0.00 -1.52 0.00 0.00 31.29 32.97 1vrf h VAL 44 CO 0.03 0.63 -0.84 -0.26 0.02 0.00 0.00 177.57 177.15 1vrf h PHE 45 N 0.27 0.82 0.00 1.57 -1.00 -1.21 -3.42 116.94 113.98 1vrf h PHE 45 Ca -0.02 -0.46 0.00 0.00 2.81 0.00 0.00 57.97 60.30 1vrf h PHE 45 Cb 1.25 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1vrf h PHE 45 CO 0.04 1.29 0.00 0.41 -1.61 0.00 0.00 178.31 178.44 1vrf n GLY 46 N 1.12 1.52 3.48 -1.45 0.00 -1.11 -5.09 105.19 103.65 1vrf n GLY 46 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1vrf n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vrf s PHE 47 N -2.00 2.08 -0.21 1.61 0.08 -1.00 -4.97 117.98 113.56 1vrf s PHE 47 Ca 0.00 -0.84 0.15 0.00 0.12 0.00 0.00 56.93 56.36 1vrf s PHE 47 Cb 0.00 -1.35 0.63 0.00 -0.57 0.00 0.00 43.02 41.73 1vrf s PHE 47 CO 0.00 0.16 1.55 0.45 -0.10 0.00 0.00 175.22 177.27 1vrf n SER 48 N -0.72 4.42 0.00 1.36 2.88 -1.26 -4.39 113.62 115.90 1vrf n SER 48 Ca -0.03 -3.05 0.00 0.00 -1.33 0.00 0.00 58.87 54.46 1vrf n SER 48 Cb 0.66 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1vrf n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vrf n GLY 49 N -0.20 0.35 1.55 0.46 0.00 -1.26 -4.87 105.19 101.22 1vrf n GLY 49 Ca 0.25 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 1vrf n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vrf n ALA 50 N -0.68 3.82 -1.12 4.61 0.00 -1.26 -3.91 120.51 121.97 1vrf n ALA 50 Ca 0.00 -1.47 0.09 0.00 0.00 0.00 0.00 53.44 52.06 1vrf n ALA 50 Cb 0.00 -1.16 0.13 0.00 0.00 0.00 0.00 19.45 18.41 1vrf n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vrf n SER 51 N 0.03 2.16 -4.76 0.00 2.88 -1.26 -4.92 113.62 107.74 1vrf n SER 51 Ca 0.26 -2.98 -0.36 0.00 -1.33 0.00 0.00 58.87 54.46 1vrf n SER 51 Cb 1.01 -0.40 -0.08 0.00 -0.75 0.00 0.00 64.21 63.99 1vrf n SER 51 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1vrf s ASP 52 N -2.69 5.93 0.60 -3.46 1.11 -1.25 -4.97 116.67 111.93 1vrf s ASP 52 Ca 0.29 0.28 0.38 0.00 0.18 0.00 0.00 52.55 53.68 1vrf s ASP 52 Cb 0.25 -1.91 1.82 0.00 1.07 0.00 0.00 42.92 44.15 1vrf s ASP 52 CO 0.03 0.32 2.15 1.55 1.18 0.00 0.00 175.17 180.39 1vrf h PRO 53 N 5.62 0.00 -0.87 8.23 0.13 -1.95 -2.66 132.00 140.51 1vrf h PRO 53 Ca -0.48 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.77 1vrf h PRO 53 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1vrf h PRO 53 CO 0.62 0.00 0.56 0.78 -0.23 0.00 0.00 178.00 179.73 1vrf h GLY 54 N 1.16 1.18 0.11 1.56 0.00 -1.93 -1.90 103.07 103.24 1vrf h GLY 54 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.07 1vrf h GLY 54 CO 0.00 0.13 -0.34 -2.08 0.00 0.00 0.00 176.54 174.25 1vrf h VAL 55 N 0.73 0.25 -0.09 4.60 2.07 -1.85 0.68 116.25 122.64 1vrf h VAL 55 Ca 0.42 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.97 1vrf h VAL 55 Cb 0.60 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1vrf h VAL 55 CO -0.18 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.68 1vrf h ALA 56 N 0.37 1.48 0.00 1.67 0.00 -1.55 0.29 119.26 121.52 1vrf h ALA 56 Ca 0.10 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1vrf h ALA 56 Cb 0.56 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1vrf h ALA 56 CO -0.37 -0.32 -0.93 0.22 0.00 0.00 0.00 179.25 177.85 1vrf h ASP 57 N 0.00 0.45 0.00 0.00 3.58 0.47 -2.45 116.42 118.47 1vrf h ASP 57 Ca 0.04 -0.36 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 1vrf h ASP 57 Cb 0.59 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 1vrf h ASP 57 CO -0.00 1.16 -0.23 -0.07 -2.88 0.00 0.00 179.24 177.22 1vrf h LEU 58 N 0.19 0.00 -0.46 2.28 3.38 0.34 -3.12 115.31 117.92 1vrf h LEU 58 Ca -0.07 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1vrf h LEU 58 Cb 1.56 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.21 1vrf h LEU 58 CO 0.15 0.64 -0.20 1.23 0.09 0.00 0.00 178.44 180.35 1vrf h GLY 59 N -1.00 0.16 0.36 0.83 0.00 -1.26 1.52 103.07 103.68 1vrf h GLY 59 Ca -0.01 0.25 0.15 0.00 0.00 0.00 0.00 47.33 47.72 1vrf h GLY 59 CO -0.00 -0.21 0.62 0.00 0.00 0.00 0.00 176.54 176.95 1vrf h ALA 60 N 1.24 1.60 0.00 3.60 0.00 -1.61 0.86 119.26 124.96 1vrf h ALA 60 Ca 0.22 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 1vrf h ALA 60 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1vrf h ALA 60 CO -0.53 0.11 -0.93 0.87 0.00 0.00 0.00 179.25 178.77 1vrf h LYS 61 N 0.90 0.00 -0.00 0.00 1.57 -0.46 -3.25 116.57 115.33 1vrf h LYS 61 Ca 0.52 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.23 1vrf h LYS 61 Cb 0.64 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1vrf h LYS 61 CO -0.30 0.92 -0.27 0.28 -0.57 0.00 0.00 179.45 179.51 1vrf h VAL 62 N 0.00 1.53 -0.63 0.50 2.07 0.42 -3.28 116.25 116.86 1vrf h VAL 62 Ca -0.01 -1.94 0.13 0.00 0.82 0.00 0.00 66.70 65.70 1vrf h VAL 62 Cb 1.71 2.73 -0.11 0.00 -1.52 0.00 0.00 31.29 34.11 1vrf h VAL 62 CO 0.12 0.53 0.02 -0.07 0.02 0.00 0.00 177.57 178.19 1vrf h LEU 63 N -0.47 -0.24 -0.67 2.57 -0.00 0.53 0.22 115.31 117.25 1vrf h LEU 63 Ca -0.03 0.15 0.14 0.00 -0.00 0.00 0.00 57.88 58.14 1vrf h LEU 63 Cb 1.01 0.26 -0.11 0.00 -0.00 0.00 0.00 40.66 41.83 1vrf h LEU 63 CO 0.05 -0.11 0.02 0.00 -0.00 0.00 0.00 178.44 178.41 1vrf h ALA 64 N 1.57 0.69 -0.10 1.53 0.00 -1.62 -0.59 119.26 120.74 1vrf h ALA 64 Ca 0.33 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.49 1vrf h ALA 64 Cb 0.54 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1vrf h ALA 64 CO -0.53 -0.39 -0.37 0.37 0.00 0.00 0.00 179.25 178.33 1vrf h GLN 65 N 0.13 -0.45 -0.94 0.00 5.75 -1.01 0.19 115.11 118.77 1vrf h GLN 65 Ca 0.35 0.03 0.16 0.00 -0.15 0.00 0.00 58.65 59.05 1vrf h GLN 65 Cb 0.59 0.10 -0.08 0.00 1.07 0.00 0.00 27.48 29.16 1vrf h GLN 65 CO -0.56 -0.30 0.60 0.82 -2.65 0.00 0.00 178.83 176.74 1vrf h ILE 66 N -0.47 0.78 0.26 2.39 2.04 -1.00 0.20 117.51 121.71 1vrf h ILE 66 Ca 0.08 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1vrf h ILE 66 Cb 0.60 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1vrf h ILE 66 CO -0.36 0.13 -0.17 1.23 0.00 0.00 0.00 178.15 178.98 1vrf h GLY 67 N 0.70 -0.43 2.00 5.37 0.00 0.65 1.10 103.07 112.47 1vrf h GLY 67 Ca 0.49 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.99 1vrf h GLY 67 CO -0.25 -0.17 -0.11 -2.08 0.00 0.00 0.00 176.54 173.93 1vrf h VAL 68 N -0.42 0.51 0.00 4.60 2.07 0.35 -1.55 116.25 121.81 1vrf h VAL 68 Ca -0.02 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1vrf h VAL 68 Cb 0.36 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1vrf h VAL 68 CO 0.01 0.11 -0.72 0.00 0.02 0.00 0.00 177.57 177.00 1vrf h ALA 69 N 1.89 0.69 0.00 1.67 0.00 0.61 -3.26 119.26 120.86 1vrf h ALA 69 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1vrf h ALA 69 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1vrf h ALA 69 CO 0.01 0.24 0.00 0.28 0.00 0.00 0.00 179.25 179.78 1vrf h VAL 70 N 0.00 0.00 -0.50 0.00 2.07 0.23 -2.22 116.25 115.83 1vrf h VAL 70 Ca -0.03 -0.47 -0.27 0.00 0.82 0.00 0.00 66.70 66.75 1vrf h VAL 70 Cb 1.15 1.44 -0.15 0.00 -1.52 0.00 0.00 31.29 32.21 1vrf h VAL 70 CO 0.02 0.00 0.34 -1.20 0.02 0.00 0.00 177.57 176.74 1vrf n SER 71 N -2.99 3.70 0.00 0.57 7.64 -1.21 -4.28 113.62 117.06 1vrf n SER 71 Ca 0.01 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1vrf n SER 71 Cb 0.29 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1vrf n SER 71 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1vrf n HIS 72 N -0.25 -0.80 0.00 1.43 8.25 -1.08 -4.98 115.22 117.79 1vrf n HIS 72 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1vrf n HIS 72 Cb 1.03 0.16 0.00 0.00 1.12 0.00 0.00 29.99 32.31 1vrf n HIS 72 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1vrf n LEU 73 N -1.83 0.00 0.13 2.41 7.99 -0.86 0.19 117.00 125.03 1vrf n LEU 73 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.99 1vrf n LEU 73 Cb 0.00 0.00 0.11 0.00 -0.11 0.00 0.00 43.42 43.42 1vrf n LEU 73 CO 0.00 0.00 0.44 1.23 -1.51 0.00 0.00 177.39 177.55 1vrf h GLY 74 N 0.00 0.00 -7.29 -0.72 0.00 -1.96 -3.41 103.07 89.70 1vrf h GLY 74 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1vrf h GLY 74 CO 0.00 0.00 0.35 -0.35 0.00 0.00 0.00 176.54 176.54 1vrf s ASP 75 N -6.65 4.46 -0.25 0.19 -1.08 0.50 -4.71 116.67 109.13 1vrf s ASP 75 Ca 0.01 -0.31 0.08 0.00 -0.52 0.00 0.00 52.55 51.80 1vrf s ASP 75 Cb 0.11 -2.56 0.59 0.00 -1.46 0.00 0.00 42.92 39.60 1vrf s ASP 75 CO 0.76 -3.37 1.57 -0.62 0.52 0.00 0.00 175.17 174.03 1vrf n GLU 76 N 8.82 3.18 0.10 4.34 1.02 -1.26 -3.78 120.64 133.06 1vrf n GLU 76 Ca 0.44 -2.40 -0.20 0.00 -0.02 0.00 0.00 57.16 54.99 1vrf n GLU 76 Cb 0.45 -2.02 -0.12 0.00 -0.02 0.00 0.00 31.44 29.73 1vrf n GLU 76 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1vrf h GLY 77 N 3.18 0.55 0.00 0.62 0.00 -1.98 -3.39 103.07 102.06 1vrf h GLY 77 Ca 0.21 -1.21 0.00 0.00 0.00 0.00 0.00 47.33 46.33 1vrf h GLY 77 CO 0.58 1.06 -0.56 1.17 0.00 0.00 0.00 176.54 178.79 1vrf n LYS 78 N -3.71 0.60 -0.21 4.80 4.81 -1.26 -4.59 118.16 118.61 1vrf n LYS 78 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1vrf n LYS 78 Cb 0.99 -0.78 0.08 0.00 0.02 0.00 0.00 35.03 35.34 1vrf n LYS 78 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 1vrf h MET 79 N 0.00 0.04 0.00 1.64 4.05 -1.82 0.82 114.93 119.67 1vrf h MET 79 Ca 0.00 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1vrf h MET 79 Cb 0.56 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1vrf h MET 79 CO 0.00 0.03 -0.09 0.28 0.23 0.00 0.00 176.91 177.35 1vrf h VAL 80 N 0.04 0.25 -0.62 -5.77 2.07 -1.79 -2.20 116.25 108.24 1vrf h VAL 80 Ca 0.31 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1vrf h VAL 80 Cb 0.50 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1vrf h VAL 80 CO -0.61 0.09 0.40 0.00 0.02 0.00 0.00 177.57 177.47 1vrf h ALA 81 N 1.91 0.79 0.10 1.67 0.00 0.42 0.60 119.26 124.74 1vrf h ALA 81 Ca -0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 1vrf h ALA 81 Cb 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1vrf h ALA 81 CO 0.01 0.18 -1.05 0.93 0.00 0.00 0.00 179.25 179.32 1vrf h GLU 82 N 0.80 0.20 -0.11 0.00 5.08 -1.33 -3.19 114.58 116.03 1vrf h GLU 82 Ca 0.23 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1vrf h GLU 82 Cb -0.06 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1vrf h GLU 82 CO -0.07 1.16 0.06 0.52 -1.00 0.00 0.00 179.01 179.69 1vrf h MET 83 N -0.49 0.12 -0.83 2.33 2.86 -1.35 -1.39 114.93 116.19 1vrf h MET 83 Ca -0.23 -0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.55 1vrf h MET 83 Cb 1.58 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 33.15 1vrf h MET 83 CO 0.05 0.08 0.54 -0.22 1.06 0.00 0.00 176.91 178.42 1vrf h LYS 84 N 0.13 0.55 -0.62 1.72 3.11 0.15 0.66 116.57 122.27 1vrf h LYS 84 Ca 0.04 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.78 1vrf h LYS 84 Cb -0.00 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.08 1vrf h LYS 84 CO -0.02 0.36 0.12 0.00 -2.81 0.00 0.00 179.45 177.10 1vrf h ALA 85 N 1.62 0.82 -0.32 5.00 0.00 -1.26 -2.88 119.26 122.24 1vrf h ALA 85 Ca 0.41 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1vrf h ALA 85 Cb 0.78 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1vrf h ALA 85 CO -0.16 0.56 -0.12 0.28 0.00 0.00 0.00 179.25 179.81 1vrf h VAL 86 N 0.93 0.58 -0.23 0.00 2.07 -0.17 -1.27 116.25 118.16 1vrf h VAL 86 Ca 0.19 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 1vrf h VAL 86 Cb 0.41 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1vrf h VAL 86 CO 0.01 0.00 -0.19 1.23 0.02 0.00 0.00 177.57 178.64 1vrf h GLY 87 N -0.06 -0.05 0.50 2.17 0.00 -1.32 0.51 103.07 104.82 1vrf h GLY 87 Ca 0.16 0.23 0.19 0.00 0.00 0.00 0.00 47.33 47.92 1vrf h GLY 87 CO -0.37 -0.18 0.56 -2.08 0.00 0.00 0.00 176.54 174.48 1vrf h VAL 88 N -0.19 0.47 0.14 4.60 2.07 0.17 0.84 116.25 124.35 1vrf h VAL 88 Ca 0.13 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.42 1vrf h VAL 88 Cb 0.39 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1vrf h VAL 88 CO -0.34 0.00 -1.10 0.03 0.02 0.00 0.00 177.57 176.18 1vrf h ARG 89 N 0.00 0.30 -0.47 1.57 2.47 0.80 -3.31 114.38 115.75 1vrf h ARG 89 Ca 0.32 -0.52 0.04 0.00 -1.26 0.00 0.00 59.98 58.56 1vrf h ARG 89 Cb 1.44 0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 29.91 1vrf h ARG 89 CO -0.00 1.25 0.23 0.45 0.56 0.00 0.00 179.97 182.45 1vrf h HIS 90 N -0.30 0.42 0.00 3.04 3.86 0.16 0.94 115.15 123.27 1vrf h HIS 90 Ca -0.21 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1vrf h HIS 90 Cb 1.74 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 30.09 1vrf h HIS 90 CO 0.16 0.20 0.17 1.57 0.86 0.00 0.00 177.93 180.90 1vrf h LYS 91 N 0.45 0.00 -0.75 2.45 2.10 -1.24 0.45 116.57 120.02 1vrf h LYS 91 Ca 0.21 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.34 1vrf h LYS 91 Cb 0.13 0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 31.14 1vrf h LYS 91 CO -0.15 0.00 -0.10 0.41 -2.00 0.00 0.00 179.45 177.61 1vrf n GLY 92 N -1.18 5.90 0.00 0.07 0.00 0.31 -4.78 105.19 105.51 1vrf n GLY 92 Ca -0.02 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1vrf n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vrf n TYR 93 N -0.87 -1.71 -0.05 1.61 4.02 0.15 -5.02 117.16 115.28 1vrf n TYR 93 Ca 0.48 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 58.16 1vrf n TYR 93 Cb 0.90 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 40.09 1vrf n TYR 93 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1vrf h GLY 94 N 0.00 0.14 1.74 2.72 0.00 -1.90 -3.34 103.07 102.43 1vrf h GLY 94 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.00 1vrf h GLY 94 CO 0.00 0.32 0.12 3.45 0.00 0.00 0.00 176.54 180.42 1vrf h ASN 95 N -0.55 0.09 -2.97 0.19 -1.07 -1.90 -3.45 115.58 105.92 1vrf h ASN 95 Ca -0.36 -0.00 -0.35 0.00 0.07 0.00 0.00 56.30 55.66 1vrf h ASN 95 Cb 1.60 -0.02 0.01 0.00 -2.07 0.00 0.00 38.32 37.84 1vrf h ASN 95 CO -0.07 0.06 -0.48 1.17 0.07 0.00 0.00 177.43 178.19 1vrf n LYS 96 N -4.50 -2.33 0.00 4.14 3.00 -1.26 -4.89 118.16 112.32 1vrf n LYS 96 Ca 0.00 0.83 0.00 0.00 -0.00 0.00 0.00 58.31 59.15 1vrf n LYS 96 Cb 0.17 -5.35 0.00 0.00 0.00 0.00 0.00 35.03 29.85 1vrf n LYS 96 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1vrf n HIS 97 N -4.12 0.00 -1.73 5.64 8.25 -1.26 -5.06 115.22 116.94 1vrf n HIS 97 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1vrf n HIS 97 Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 1vrf n HIS 97 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1vrf n ILE 98 N 0.00 -5.52 -3.81 1.59 5.41 -1.26 -4.90 119.36 110.87 1vrf n ILE 98 Ca 0.00 2.52 -0.12 0.00 1.00 0.00 0.00 62.75 66.14 1vrf n ILE 98 Cb 0.00 -3.38 -0.11 0.00 -0.71 0.00 0.00 39.64 35.44 1vrf n ILE 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1vrf s LYS 99 N -2.85 0.39 0.48 0.38 -0.14 -1.26 -4.91 119.74 111.83 1vrf s LYS 99 Ca 0.00 0.05 0.27 0.00 -1.36 0.00 0.00 55.97 54.93 1vrf s LYS 99 Cb 0.00 0.18 1.03 0.00 -1.68 0.00 0.00 37.83 37.36 1vrf s LYS 99 CO 0.00 -0.08 1.87 0.00 -0.76 0.00 0.00 175.35 176.38 1vrf h ALA 100 N 5.09 1.01 -0.05 5.17 0.00 -1.98 -2.27 119.26 126.23 1vrf h ALA 100 Ca -0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1vrf h ALA 100 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1vrf h ALA 100 CO 0.38 0.17 -0.11 0.93 0.00 0.00 0.00 179.25 180.62 1vrf h GLU 101 N 0.00 0.07 0.00 0.00 4.39 -2.02 -1.16 114.58 115.85 1vrf h GLU 101 Ca -0.00 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1vrf h GLU 101 Cb 0.68 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1vrf h GLU 101 CO 0.02 0.19 -0.54 1.88 -1.16 0.00 0.00 179.01 179.40 1vrf h TYR 102 N 0.07 0.00 0.74 4.33 0.05 -1.83 -3.34 116.97 116.98 1vrf h TYR 102 Ca 0.01 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 1vrf h TYR 102 Cb 0.25 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.99 1vrf h TYR 102 CO 0.00 0.50 -0.36 0.74 -1.05 0.00 0.00 178.16 177.99 1vrf h PHE 103 N 0.00 -0.92 -0.58 4.88 -1.00 -1.15 -1.23 116.94 116.94 1vrf h PHE 103 Ca -0.01 -0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.82 1vrf h PHE 103 Cb 1.39 0.30 -0.10 0.00 3.61 0.00 0.00 35.95 41.15 1vrf h PHE 103 CO 0.00 -0.57 -0.49 0.93 -1.61 0.00 0.00 178.31 176.56 1vrf h GLU 104 N -1.00 -0.25 -0.12 1.51 5.08 -1.67 0.60 114.58 118.75 1vrf h GLU 104 Ca -0.10 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1vrf h GLU 104 Cb 0.76 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1vrf h GLU 104 CO 0.17 -0.16 -0.15 -1.00 -1.00 0.00 0.00 179.01 176.87 1vrf h PRO 105 N -0.26 -0.18 0.00 2.33 0.13 -1.68 0.84 132.00 133.18 1vrf h PRO 105 Ca 0.14 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1vrf h PRO 105 Cb 0.56 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 1vrf h PRO 105 CO -0.69 -0.12 -0.00 1.25 -0.23 0.00 0.00 178.00 178.21 1vrf h LEU 106 N -0.19 0.00 0.00 1.56 7.12 0.09 0.16 115.31 124.06 1vrf h LEU 106 Ca 0.09 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 58.03 1vrf h LEU 106 Cb 0.31 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 1vrf h LEU 106 CO -0.23 0.00 -0.40 1.23 -0.13 0.00 0.00 178.44 178.91 1vrf h GLY 107 N 0.01 0.00 0.94 3.75 0.00 0.32 -3.01 103.07 105.07 1vrf h GLY 107 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1vrf h GLY 107 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 176.54 176.56 1vrf h ALA 108 N -0.41 0.07 -0.10 3.60 0.00 0.86 -0.76 119.26 122.52 1vrf h ALA 108 Ca -0.10 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1vrf h ALA 108 Cb 0.86 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1vrf h ALA 108 CO -0.06 -0.46 0.10 1.03 0.00 0.00 0.00 179.25 179.87 1vrf h SER 109 N 0.05 0.00 -0.45 0.00 0.87 -0.86 -1.28 113.55 111.88 1vrf h SER 109 Ca 0.03 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1vrf h SER 109 Cb 0.02 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1vrf h SER 109 CO -0.03 0.00 0.06 0.25 -0.53 0.00 0.00 176.83 176.58 1vrf h LEU 110 N 0.00 0.73 -0.77 2.23 6.46 -0.99 -2.80 115.31 120.17 1vrf h LEU 110 Ca 0.05 -0.27 0.10 0.00 -0.12 0.00 0.00 57.88 57.64 1vrf h LEU 110 Cb 0.25 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 39.92 1vrf h LEU 110 CO -0.00 0.81 0.41 -0.07 -0.62 0.00 0.00 178.44 178.97 1vrf h LEU 111 N 0.61 0.56 -2.03 2.25 3.38 -1.01 0.28 115.31 119.35 1vrf h LEU 111 Ca 0.14 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.28 1vrf h LEU 111 Cb 0.40 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1vrf h LEU 111 CO 0.01 0.31 0.31 0.28 0.09 0.00 0.00 178.44 179.44 1vrf h SER 112 N 0.68 0.00 0.25 -0.43 0.02 -1.49 -1.25 113.55 111.33 1vrf h SER 112 Ca 0.38 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.99 1vrf h SER 112 Cb 0.39 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.95 1vrf h SER 112 CO -0.27 0.00 -1.64 0.00 -1.14 0.00 0.00 176.83 173.78 1vrf h ALA 113 N 1.76 0.07 -0.77 3.77 0.00 -0.48 -3.34 119.26 120.27 1vrf h ALA 113 Ca 0.19 -1.05 0.18 0.00 0.00 0.00 0.00 54.91 54.23 1vrf h ALA 113 Cb 0.80 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 1vrf h ALA 113 CO -0.00 0.93 0.20 0.52 0.00 0.00 0.00 179.25 180.90 1vrf h MET 114 N 0.12 0.26 -0.70 0.00 2.07 0.08 0.63 114.93 117.38 1vrf h MET 114 Ca -0.31 -0.02 0.20 0.00 -2.07 0.00 0.00 59.70 57.51 1vrf h MET 114 Cb 2.11 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 31.76 1vrf h MET 114 CO 0.21 0.17 0.66 1.49 1.07 0.00 0.00 176.91 180.51 1vrf h GLU 115 N 0.27 0.00 -0.53 1.72 4.81 -1.64 -0.32 114.58 118.89 1vrf h GLU 115 Ca 0.45 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.76 1vrf h GLU 115 Cb 0.79 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.11 1vrf h GLU 115 CO -0.54 0.00 0.15 0.45 -0.73 0.00 0.00 179.01 178.34 1vrf h HIS 116 N 0.00 0.25 0.00 0.92 3.86 0.09 0.37 115.15 120.65 1vrf h HIS 116 Ca 0.33 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1vrf h HIS 116 Cb 1.65 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 30.08 1vrf h HIS 116 CO 0.00 0.04 -0.00 -0.09 0.86 0.00 0.00 177.93 178.74 1vrf h ARG 117 N 0.30 -0.00 -2.19 2.45 2.43 -1.19 -3.37 114.38 112.81 1vrf h ARG 117 Ca 0.26 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.82 1vrf h ARG 117 Cb 0.33 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 29.71 1vrf h ARG 117 CO -0.30 -0.00 1.06 0.44 -1.51 0.00 0.00 179.97 179.65 1vrf n ILE 118 N -2.57 4.05 0.25 1.20 -5.35 -1.16 -4.61 119.36 111.17 1vrf n ILE 118 Ca -0.00 -3.66 0.10 0.00 -0.27 0.00 0.00 62.75 58.91 1vrf n ILE 118 Cb 0.00 -1.69 0.65 0.00 -1.74 0.00 0.00 39.64 36.86 1vrf n ILE 118 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1vrf h GLY 119 N 4.32 0.00 1.10 3.28 0.00 -0.42 1.33 103.07 112.69 1vrf h GLY 119 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1vrf h GLY 119 CO 1.11 0.00 -0.77 -1.33 0.00 0.00 0.00 176.54 175.55 1vrf h GLY 120 N 0.69 0.00 0.00 4.60 0.00 -1.82 -3.34 103.07 103.19 1vrf h GLY 120 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1vrf h GLY 120 CO 0.02 0.00 -1.68 0.28 0.00 0.00 0.00 176.54 175.16 1vrf n LYS 121 N -2.37 0.47 -1.76 4.80 5.02 -0.63 -4.86 118.16 118.83 1vrf n LYS 121 Ca 0.02 -0.13 -0.26 0.00 -2.02 0.00 0.00 58.31 55.91 1vrf n LYS 121 Cb 0.49 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 34.10 1vrf n LYS 121 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1vrf s MET 122 N -3.01 2.12 0.42 1.97 1.75 0.45 -4.90 119.30 118.09 1vrf s MET 122 Ca -0.05 0.54 0.07 0.00 -1.25 0.00 0.00 55.69 54.99 1vrf s MET 122 Cb 0.09 -4.74 0.07 0.00 2.84 0.00 0.00 34.83 33.09 1vrf s MET 122 CO 0.61 -3.63 0.56 0.27 -0.65 0.00 0.00 175.02 172.18 1vrf n ASN 123 N 15.91 1.57 -0.12 1.11 6.94 -1.26 -4.89 115.26 134.52 1vrf n ASN 123 Ca 0.38 -2.13 -0.08 0.00 -0.02 0.00 0.00 54.58 52.74 1vrf n ASN 123 Cb 0.48 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 1vrf n ASN 123 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vrf h ALA 124 N 0.25 0.49 0.00 -2.53 0.00 -2.00 -0.70 119.26 114.78 1vrf h ALA 124 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1vrf h ALA 124 Cb 0.90 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1vrf h ALA 124 CO 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1vrf n ALA 125 N -2.21 1.42 -0.02 0.00 0.00 -1.26 -1.30 120.51 117.14 1vrf n ALA 125 Ca 0.00 0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 1vrf n ALA 125 Cb 0.03 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.04 1vrf n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vrf h ALA 126 N 2.20 0.36 0.00 0.00 0.00 -1.50 -3.05 119.26 117.27 1vrf h ALA 126 Ca 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 54.91 53.47 1vrf h ALA 126 Cb 0.21 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1vrf h ALA 126 CO 0.00 1.10 -0.59 1.57 0.00 0.00 0.00 179.25 181.33 1vrf h LYS 127 N -0.25 0.00 0.07 0.00 2.10 -1.10 -2.72 116.57 114.67 1vrf h LYS 127 Ca -0.39 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.00 1vrf h LYS 127 Cb 1.82 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.14 1vrf h LYS 127 CO 0.01 0.59 -1.22 0.38 -2.00 0.00 0.00 179.45 177.20 1vrf h ASP 128 N 0.00 0.24 -0.20 7.07 2.03 -1.36 -1.98 116.42 122.21 1vrf h ASP 128 Ca -0.01 -0.28 -0.15 0.00 -0.73 0.00 0.00 57.03 55.87 1vrf h ASP 128 Cb 1.34 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1vrf h ASP 128 CO 0.08 1.22 -0.47 0.00 -1.03 0.00 0.00 179.24 179.04 1vrf h ALA 129 N 0.74 0.33 0.00 4.15 0.00 -1.56 -2.06 119.26 120.87 1vrf h ALA 129 Ca -0.11 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 1vrf h ALA 129 Cb 1.91 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1vrf h ALA 129 CO 0.16 0.48 -0.68 -1.49 0.00 0.00 0.00 179.25 177.72 1vrf h TRP 130 N 0.36 0.00 -0.34 0.00 4.06 -1.58 0.81 115.95 119.27 1vrf h TRP 130 Ca -0.00 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.82 1vrf h TRP 130 Cb 1.08 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.23 1vrf h TRP 130 CO 0.09 0.68 -0.32 0.00 -3.56 0.00 0.00 178.44 175.32 1vrf h ALA 131 N 1.32 0.80 0.01 1.49 0.00 -1.28 0.31 119.26 121.91 1vrf h ALA 131 Ca -0.01 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 1vrf h ALA 131 Cb 1.23 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1vrf h ALA 131 CO 0.09 0.65 -1.25 0.00 0.00 0.00 0.00 179.25 178.74 1vrf h ALA 132 N 1.01 0.46 -0.01 0.00 0.00 -1.27 -3.32 119.26 116.13 1vrf h ALA 132 Ca 0.07 -1.08 -0.26 0.00 0.00 0.00 0.00 54.91 53.63 1vrf h ALA 132 Cb 0.85 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.72 1vrf h ALA 132 CO 0.07 1.33 -1.02 0.00 0.00 0.00 0.00 179.25 179.63 1vrf h ALA 133 N 0.95 0.16 -0.41 0.00 0.00 -0.71 -3.09 119.26 116.16 1vrf h ALA 133 Ca -0.11 -0.69 0.12 0.00 0.00 0.00 0.00 54.91 54.23 1vrf h ALA 133 Cb 1.86 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1vrf h ALA 133 CO 0.12 0.70 0.36 1.88 0.00 0.00 0.00 179.25 182.31 1vrf h TYR 134 N 0.39 0.00 -0.09 0.00 -1.99 -0.48 0.32 116.97 115.11 1vrf h TYR 134 Ca -0.12 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.47 1vrf h TYR 134 Cb 1.67 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.39 1vrf h TYR 134 CO 0.10 0.00 -0.54 0.00 -0.00 0.00 0.00 178.16 177.72 1vrf h ALA 135 N 1.67 0.93 0.22 3.88 0.00 -1.63 -1.18 119.26 123.14 1vrf h ALA 135 Ca 0.20 -0.50 -0.33 0.00 0.00 0.00 0.00 54.91 54.28 1vrf h ALA 135 Cb 0.92 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.65 1vrf h ALA 135 CO -0.00 0.68 -1.46 -0.44 0.00 0.00 0.00 179.25 178.03 1vrf h ASP 136 N 0.20 0.73 0.57 0.00 5.19 -0.52 0.12 116.42 122.71 1vrf h ASP 136 Ca 0.00 -0.81 -0.03 0.00 -0.62 0.00 0.00 57.03 55.58 1vrf h ASP 136 Cb 1.01 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 40.29 1vrf h ASP 136 CO 0.08 1.64 -0.27 0.40 -3.12 0.00 0.00 179.24 177.97 1vrf h ILE 137 N 0.13 0.23 0.00 0.35 2.04 -1.10 0.11 117.51 119.26 1vrf h ILE 137 Ca -0.24 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.14 1vrf h ILE 137 Cb 2.12 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1vrf h ILE 137 CO 0.25 0.04 -0.41 0.28 0.00 0.00 0.00 178.15 178.31 1vrf h SER 138 N -1.08 0.00 -0.22 1.72 0.02 -1.36 -2.96 113.55 109.67 1vrf h SER 138 Ca -0.08 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1vrf h SER 138 Cb 0.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1vrf h SER 138 CO 0.13 0.41 -0.14 1.23 -1.14 0.00 0.00 176.83 177.31 1vrf h GLY 139 N 1.26 0.53 1.62 -3.77 0.00 -0.90 -2.71 103.07 99.09 1vrf h GLY 139 Ca -0.00 -0.50 0.05 0.00 0.00 0.00 0.00 47.33 46.87 1vrf h GLY 139 CO 0.05 0.45 0.14 0.00 0.00 0.00 0.00 176.54 177.19 1vrf h ALA 140 N 0.69 1.92 0.00 3.60 0.00 -0.61 0.24 119.26 125.09 1vrf h ALA 140 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vrf h ALA 140 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1vrf h ALA 140 CO 0.04 -0.23 0.00 1.25 0.00 0.00 0.00 179.25 180.31 1vrf h LEU 141 N 0.00 0.00 0.00 0.00 6.46 -1.37 -2.72 115.31 117.67 1vrf h LEU 141 Ca 0.08 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1vrf h LEU 141 Cb 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1vrf h LEU 141 CO -0.00 0.00 0.00 -0.38 -0.62 0.00 0.00 178.44 177.44 1vrf n ILE 142 N -2.82 0.00 0.07 4.05 5.41 0.84 -3.14 119.36 123.78 1vrf n ILE 142 Ca 0.02 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.66 1vrf n ILE 142 Cb 0.36 -0.52 -0.08 0.00 -0.71 0.00 0.00 39.64 38.70 1vrf n ILE 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1vrf h SER 143 N 0.00 -0.22 -0.46 4.38 0.02 -1.58 -3.23 113.55 112.47 1vrf h SER 143 Ca 0.00 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1vrf h SER 143 Cb 0.00 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1vrf h SER 143 CO 0.00 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 1vrf n GLY 144 N 0.43 1.26 3.95 -3.77 0.00 -1.20 -4.92 105.19 100.94 1vrf n GLY 144 Ca -0.08 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 1vrf n GLY 144 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vrf s LEU 145 N -1.11 2.99 -0.41 0.99 2.96 -1.19 0.97 118.68 123.88 1vrf s LEU 145 Ca 0.34 0.25 -0.17 0.00 -0.22 0.00 0.00 54.13 54.33 1vrf s LEU 145 Cb 0.18 -2.97 0.02 0.00 0.50 0.00 0.00 46.19 43.92 1vrf s LEU 145 CO 0.24 -1.45 0.53 0.00 -1.32 0.00 0.00 176.35 174.35 1vrf n GLN 146 N -2.71 -2.42 0.00 1.98 3.00 -1.26 -4.88 117.38 111.08 1vrf n GLN 146 Ca 0.08 2.09 0.00 0.00 -0.01 0.00 0.00 57.00 59.17 1vrf n GLN 146 Cb 0.60 -5.11 0.00 0.00 0.00 0.00 0.00 30.24 25.73 1vrf n GLN 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51