#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwi h VAL 3 N 0.00 1.09 -0.55 2.46 2.07 -1.89 -1.26 116.25 118.18 1nwi h VAL 3 Ca 0.00 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1nwi h VAL 3 Cb 0.00 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.62 1nwi h VAL 3 CO 0.00 0.20 0.34 1.88 0.02 0.00 0.00 177.57 180.01 1nwi h TYR 4 N 1.12 0.72 -0.81 1.57 0.05 -1.95 -1.18 116.97 116.48 1nwi h TYR 4 Ca 0.40 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.15 1nwi h TYR 4 Cb 0.15 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.62 1nwi h TYR 4 CO -0.00 0.49 0.36 -0.44 -1.05 0.00 0.00 178.16 177.51 1nwi h ASP 5 N 0.74 1.08 -0.79 3.88 3.32 -1.76 -2.50 116.42 120.39 1nwi h ASP 5 Ca 0.20 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1nwi h ASP 5 Cb -0.03 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.21 1nwi h ASP 5 CO -0.04 0.93 0.38 0.00 -1.72 0.00 0.00 179.24 178.80 1nwi h ALA 6 N 1.23 1.02 0.00 3.45 0.00 -0.78 -1.74 119.26 122.43 1nwi h ALA 6 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nwi h ALA 6 Cb 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1nwi h ALA 6 CO -0.03 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1nwi h ALA 7 N 1.20 1.00 0.00 0.00 0.00 -0.77 -1.49 119.26 119.20 1nwi h ALA 7 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1nwi h ALA 7 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nwi h ALA 7 CO -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 179.25 178.77 1nwi h ALA 8 N 2.04 0.92 0.00 0.00 0.00 -1.17 -2.80 119.26 118.24 1nwi h ALA 8 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1nwi h ALA 8 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nwi h ALA 8 CO 0.00 0.56 0.00 1.96 0.00 0.00 0.00 179.25 181.77 1nwi h GLN 9 N 0.00 0.00 -5.22 0.00 1.08 -1.36 -3.34 115.11 106.27 1nwi h GLN 9 Ca -0.00 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.53 1nwi h GLN 9 Cb 1.03 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.39 1nwi h GLN 9 CO 0.06 0.00 2.44 1.28 -0.95 0.00 0.00 178.83 181.66 1nwi n LEU 10 N -3.08 5.41 -4.79 1.46 7.99 -1.06 -4.90 117.00 118.04 1nwi n LEU 10 Ca -0.02 -3.92 -0.30 0.00 -0.01 0.00 0.00 56.01 51.77 1nwi n LEU 10 Cb 0.15 -1.70 0.18 0.00 -0.11 0.00 0.00 43.42 41.94 1nwi n LEU 10 CO 0.22 0.32 0.75 0.42 -1.51 0.00 0.00 177.39 177.60 1nwi s THR 11 N 4.31 1.88 0.18 -5.08 -4.23 -1.26 -4.69 115.64 106.75 1nwi s THR 11 Ca 0.53 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.90 1nwi s THR 11 Cb 0.07 -2.78 0.09 0.00 1.34 0.00 0.00 72.50 71.22 1nwi s THR 11 CO 0.03 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.84 1nwi h ALA 12 N -1.87 0.52 -0.62 3.99 0.00 -1.95 0.10 119.26 119.43 1nwi h ALA 12 Ca -0.46 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1nwi h ALA 12 Cb 1.28 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1nwi h ALA 12 CO 0.44 -0.30 0.18 0.38 0.00 0.00 0.00 179.25 179.96 1nwi h ASP 13 N 0.25 0.89 -0.40 0.00 3.04 -1.98 -1.16 116.42 117.05 1nwi h ASP 13 Ca 0.23 -0.16 -0.11 0.00 -3.24 0.00 0.00 57.03 53.75 1nwi h ASP 13 Cb 0.28 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 38.33 1nwi h ASP 13 CO -0.29 0.84 -0.18 0.58 -2.04 0.00 0.00 179.24 178.16 1nwi h VAL 14 N 0.92 1.28 0.00 4.15 2.07 -1.72 -2.27 116.25 120.68 1nwi h VAL 14 Ca 0.20 -1.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 1nwi h VAL 14 Cb 0.28 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1nwi h VAL 14 CO -0.01 0.44 -0.35 0.11 0.02 0.00 0.00 177.57 177.78 1nwi h LYS 15 N 0.64 0.00 -0.03 1.57 1.57 -0.76 -2.07 116.57 117.49 1nwi h LYS 15 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1nwi h LYS 15 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1nwi h LYS 15 CO 0.06 0.35 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.06 1nwi h LYS 16 N 0.00 0.06 -0.08 3.15 1.63 -0.97 -2.14 116.57 118.22 1nwi h LYS 16 Ca -0.00 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 1nwi h LYS 16 Cb 0.64 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 1nwi h LYS 16 CO 0.05 0.42 -0.17 -0.44 -3.45 0.00 0.00 179.45 175.86 1nwi h ASP 17 N -0.29 0.12 -0.12 4.20 3.32 -1.26 -0.98 116.42 121.41 1nwi h ASP 17 Ca 0.01 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1nwi h ASP 17 Cb 0.39 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1nwi h ASP 17 CO 0.00 0.30 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.73 1nwi h LEU 18 N 0.12 0.23 -0.25 1.55 3.38 -1.26 -1.87 115.31 117.21 1nwi h LEU 18 Ca 0.02 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1nwi h LEU 18 Cb 0.37 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1nwi h LEU 18 CO 0.02 0.53 0.01 0.03 0.09 0.00 0.00 178.44 179.12 1nwi h ARG 19 N -0.07 0.44 -0.31 1.13 3.08 -1.12 -0.34 114.38 117.19 1nwi h ARG 19 Ca 0.03 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1nwi h ARG 19 Cb 0.43 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1nwi h ARG 19 CO 0.01 0.60 0.19 -0.44 -1.07 0.00 0.00 179.97 179.26 1nwi h ASP 20 N 0.22 0.32 -0.35 7.04 3.32 -1.22 -1.00 116.42 124.74 1nwi h ASP 20 Ca 0.07 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1nwi h ASP 20 Cb 0.40 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1nwi h ASP 20 CO 0.01 0.23 -0.25 0.77 -1.72 0.00 0.00 179.24 178.29 1nwi h SER 21 N 0.39 0.88 0.17 6.45 4.64 -1.32 -3.05 113.55 121.70 1nwi h SER 21 Ca 0.12 -0.33 -0.06 0.00 -0.47 0.00 0.00 61.79 61.05 1nwi h SER 21 Cb -0.02 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1nwi h SER 21 CO -0.04 1.08 -0.22 -0.25 -0.87 0.00 0.00 176.83 176.52 1nwi h TRP 22 N 0.74 0.12 0.00 4.77 2.91 -0.73 -1.97 115.95 121.78 1nwi h TRP 22 Ca 0.09 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.10 1nwi h TRP 22 Cb 0.79 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.41 1nwi h TRP 22 CO 0.05 0.33 -0.01 0.87 -1.03 0.00 0.00 178.44 178.65 1nwi h LYS 23 N 0.10 0.00 0.00 2.65 1.57 -1.07 0.22 116.57 120.04 1nwi h LYS 23 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1nwi h LYS 23 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1nwi h LYS 23 CO 0.03 0.01 -0.83 0.28 -0.57 0.00 0.00 179.45 178.37 1nwi n VAL 24 N -3.60 1.46 0.26 0.50 0.31 -0.82 -3.92 118.33 112.51 1nwi n VAL 24 Ca -0.03 0.17 0.12 0.00 -0.01 0.00 0.00 64.34 64.59 1nwi n VAL 24 Cb 0.09 -2.36 0.68 0.00 -0.91 0.00 0.00 33.84 31.34 1nwi n VAL 24 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1nwi h ILE 25 N -0.99 0.54 -0.01 2.52 3.07 -1.42 -1.92 117.51 119.30 1nwi h ILE 25 Ca 0.00 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1nwi h ILE 25 Cb 0.83 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 1nwi h ILE 25 CO 0.00 0.14 -0.13 0.61 -1.05 0.00 0.00 178.15 177.71 1nwi n GLY 26 N -0.49 -0.58 0.12 0.16 0.00 0.77 -3.67 105.19 101.50 1nwi n GLY 26 Ca -0.01 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.77 1nwi n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nwi h SER 27 N 1.24 0.00 -2.33 1.61 4.64 -1.46 -3.36 113.55 113.88 1nwi h SER 27 Ca 0.00 -0.04 -0.59 0.00 -0.47 0.00 0.00 61.79 60.69 1nwi h SER 27 Cb 0.43 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.12 1nwi h SER 27 CO 0.00 0.02 -0.89 -0.67 -0.87 0.00 0.00 176.83 174.42 1nwi n ASP 28 N -2.44 1.01 -0.19 4.97 2.03 -1.24 -4.98 116.55 115.72 1nwi n ASP 28 Ca 0.04 -2.79 -0.07 0.00 0.52 0.00 0.00 54.79 52.49 1nwi n ASP 28 Cb 0.46 -0.63 0.02 0.00 -0.72 0.00 0.00 41.12 40.25 1nwi n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1nwi h LYS 29 N 4.81 0.75 -0.15 -0.67 1.57 -1.76 -1.07 116.57 120.04 1nwi h LYS 29 Ca 0.17 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1nwi h LYS 29 Cb 0.83 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1nwi h LYS 29 CO 0.54 0.60 0.06 -0.22 -0.57 0.00 0.00 179.45 179.85 1nwi h LYS 30 N 0.71 0.23 0.39 3.15 3.64 -1.92 0.29 116.57 123.07 1nwi h LYS 30 Ca 0.19 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1nwi h LYS 30 Cb 0.08 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1nwi h LYS 30 CO -0.03 0.33 -0.19 0.78 -2.27 0.00 0.00 179.45 178.08 1nwi h GLY 31 N 0.09 -0.55 1.75 5.01 0.00 -1.95 -2.67 103.07 104.74 1nwi h GLY 31 Ca 0.05 0.20 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 1nwi h GLY 31 CO -0.00 -0.20 -0.58 3.43 0.00 0.00 0.00 176.54 179.19 1nwi h ASN 32 N -0.77 0.29 -0.73 0.19 2.35 -1.27 -2.60 115.58 113.05 1nwi h ASN 32 Ca -0.05 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1nwi h ASN 32 Cb 0.52 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 1nwi h ASN 32 CO 0.09 0.81 0.44 1.23 -1.65 0.00 0.00 177.43 178.34 1nwi h GLY 33 N 1.42 1.06 1.83 2.83 0.00 -0.45 -0.72 103.07 109.03 1nwi h GLY 33 Ca -0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 1nwi h GLY 33 CO 0.09 0.43 -0.65 -2.08 0.00 0.00 0.00 176.54 174.33 1nwi h VAL 34 N 0.99 1.42 -0.71 4.60 2.07 -1.44 -2.85 116.25 120.33 1nwi h VAL 34 Ca 0.26 -2.12 -0.06 0.00 0.82 0.00 0.00 66.70 65.60 1nwi h VAL 34 Cb -0.03 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1nwi h VAL 34 CO -0.05 0.62 0.21 0.00 0.02 0.00 0.00 177.57 178.37 1nwi h ALA 35 N 1.21 0.93 0.19 1.67 0.00 -1.02 -0.41 119.26 121.83 1nwi h ALA 35 Ca -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1nwi h ALA 35 Cb 1.16 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1nwi h ALA 35 CO 0.10 0.63 -0.09 -0.07 0.00 0.00 0.00 179.25 179.81 1nwi h LEU 36 N 1.06 -0.21 -0.06 0.00 3.38 -1.03 -1.13 115.31 117.31 1nwi h LEU 36 Ca 0.23 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1nwi h LEU 36 Cb 0.33 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1nwi h LEU 36 CO -0.00 -0.13 0.03 0.24 0.09 0.00 0.00 178.44 178.67 1nwi h MET 37 N -0.27 0.09 -0.68 1.13 2.86 -1.34 -0.96 114.93 115.75 1nwi h MET 37 Ca -0.03 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1nwi h MET 37 Cb 0.21 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1nwi h MET 37 CO 0.04 0.14 0.43 1.79 1.06 0.00 0.00 176.91 180.37 1nwi h THR 38 N 0.01 1.12 -0.46 2.22 1.35 -1.05 -1.10 112.91 115.00 1nwi h THR 38 Ca 0.02 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.54 1nwi h THR 38 Cb 0.08 0.18 -0.02 0.00 -1.73 0.00 0.00 68.15 66.66 1nwi h THR 38 CO -0.00 0.16 0.08 0.74 -0.25 0.00 0.00 175.52 176.25 1nwi h THR 39 N 0.86 1.21 -0.35 6.82 2.02 -1.08 -0.18 112.91 122.21 1nwi h THR 39 Ca 0.26 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1nwi h THR 39 Cb -0.02 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1nwi h THR 39 CO -0.09 0.29 0.16 0.25 0.37 0.00 0.00 175.52 176.50 1nwi h LEU 40 N 0.69 0.47 -0.96 2.58 5.85 -0.17 -1.37 115.31 122.40 1nwi h LEU 40 Ca 0.15 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 1nwi h LEU 40 Cb 0.30 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1nwi h LEU 40 CO 0.00 0.49 -0.52 -0.26 -0.34 0.00 0.00 178.44 177.81 1nwi h PHE 41 N 0.43 0.00 -0.16 1.25 0.04 -0.90 0.12 116.94 117.73 1nwi h PHE 41 Ca 0.12 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.73 1nwi h PHE 41 Cb 0.15 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.30 1nwi h PHE 41 CO -0.01 0.52 -0.53 0.00 -0.60 0.00 0.00 178.31 177.68 1nwi h ALA 42 N 1.48 0.28 0.00 2.45 0.00 -0.76 -3.10 119.26 119.62 1nwi h ALA 42 Ca -0.01 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 1nwi h ALA 42 Cb 0.92 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1nwi h ALA 42 CO 0.07 0.48 -1.41 -0.25 0.00 0.00 0.00 179.25 178.13 1nwi n ASP 43 N -4.16 0.80 -3.27 0.00 8.00 -0.54 -4.52 116.55 112.86 1nwi n ASP 43 Ca -0.07 0.34 -0.25 0.00 0.71 0.00 0.00 54.79 55.52 1nwi n ASP 43 Cb 0.61 0.30 -0.07 0.00 -0.02 0.00 0.00 41.12 41.95 1nwi n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nwi n ASN 44 N -2.83 2.60 -0.35 -2.24 4.13 0.42 -4.95 115.26 112.04 1nwi n ASN 44 Ca -0.09 -3.23 0.25 0.00 1.68 0.00 0.00 54.58 53.19 1nwi n ASN 44 Cb 0.80 -0.64 0.51 0.00 -1.54 0.00 0.00 39.78 38.91 1nwi n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1nwi h GLN 45 N 3.86 0.32 0.00 3.52 7.50 -1.73 -0.46 115.11 128.11 1nwi h GLN 45 Ca 0.14 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.28 1nwi h GLN 45 Cb 0.73 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.18 1nwi h GLN 45 CO 0.70 0.21 0.10 1.05 -1.50 0.00 0.00 178.83 179.40 1nwi h GLU 46 N 0.33 0.00 -0.00 1.46 9.09 -1.92 -1.36 114.58 122.18 1nwi h GLU 46 Ca 0.70 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.11 1nwi h GLU 46 Cb 1.75 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.85 1nwi h GLU 46 CO -0.46 0.00 -0.21 0.25 0.05 0.00 0.00 179.01 178.63 1nwi n THR 47 N -2.79 0.00 0.15 -1.06 -2.24 -0.18 -3.89 114.28 104.26 1nwi n THR 47 Ca -0.02 -0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.80 1nwi n THR 47 Cb 0.16 -0.15 0.48 0.00 -2.10 0.00 0.00 70.33 68.72 1nwi n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1nwi h ILE 48 N 0.08 1.11 0.00 2.28 2.04 -1.41 -2.44 117.51 119.17 1nwi h ILE 48 Ca 0.00 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1nwi h ILE 48 Cb 0.48 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1nwi h ILE 48 CO 0.00 0.14 -0.06 1.23 0.00 0.00 0.00 178.15 179.46 1nwi h GLY 49 N 0.47 0.00 2.00 5.37 0.00 -1.78 -2.19 103.07 106.94 1nwi h GLY 49 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1nwi h GLY 49 CO 0.01 0.00 -0.31 -0.97 0.00 0.00 0.00 176.54 175.27 1nwi h TYR 50 N 0.00 0.00 -1.08 5.60 0.05 -1.70 -3.28 116.97 116.55 1nwi h TYR 50 Ca -0.00 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.15 1nwi h TYR 50 Cb 0.14 0.00 -0.36 0.00 1.01 0.00 0.00 36.73 37.52 1nwi h TYR 50 CO 0.00 0.31 0.06 1.19 -1.05 0.00 0.00 178.16 178.67 1nwi n PHE 51 N -3.54 3.04 0.23 4.88 3.72 -0.82 -4.72 117.46 120.25 1nwi n PHE 51 Ca -0.00 -2.65 0.09 0.00 -0.05 0.00 0.00 57.45 54.83 1nwi n PHE 51 Cb 0.45 -0.84 0.55 0.00 -0.94 0.00 0.00 39.48 38.70 1nwi n PHE 51 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1nwi h LYS 52 N 2.25 0.00 -0.31 -1.08 2.10 -1.66 -2.22 116.57 115.66 1nwi h LYS 52 Ca 0.48 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.11 1nwi h LYS 52 Cb 1.01 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.32 1nwi h LYS 52 CO 1.17 0.22 0.13 -0.09 -2.00 0.00 0.00 179.45 178.88 1nwi h ARG 53 N 0.00 0.43 0.00 0.07 2.43 -1.91 -1.82 114.38 113.57 1nwi h ARG 53 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1nwi h ARG 53 Cb 0.54 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1nwi h ARG 53 CO 0.03 0.35 0.00 1.28 -1.51 0.00 0.00 179.97 180.12 1nwi n LEU 54 N -4.42 0.00 0.00 3.80 4.77 -0.83 -4.98 117.00 115.34 1nwi n LEU 54 Ca 0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1nwi n LEU 54 Cb 0.13 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1nwi n LEU 54 CO 0.36 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1nwi n GLY 55 N 0.24 0.98 3.50 -0.72 0.00 -0.69 -4.47 105.19 104.03 1nwi n GLY 55 Ca 0.12 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1nwi n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nwi s ASN 56 N -4.00 6.44 0.00 1.61 3.84 -1.26 -4.85 114.94 116.72 1nwi s ASN 56 Ca 0.00 -1.46 0.15 0.00 0.21 0.00 0.00 52.86 51.77 1nwi s ASN 56 Cb 0.00 -2.47 0.83 0.00 -0.55 0.00 0.00 41.25 39.06 1nwi s ASN 56 CO 0.00 -1.37 1.40 1.33 -2.79 0.00 0.00 177.10 175.67 1nwi n VAL 57 N 6.11 0.37 1.02 -5.21 0.24 -1.26 -2.47 118.33 117.13 1nwi n VAL 57 Ca 0.18 0.09 0.14 0.00 -2.04 0.00 0.00 64.34 62.71 1nwi n VAL 57 Cb 0.49 -0.84 0.58 0.00 -1.47 0.00 0.00 33.84 32.59 1nwi n VAL 57 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1nwi n SER 58 N -1.19 0.07 0.14 -1.34 3.41 -1.26 -3.20 113.62 110.26 1nwi n SER 58 Ca 0.09 0.37 0.13 0.00 -0.26 0.00 0.00 58.87 59.20 1nwi n SER 58 Cb 0.10 -0.39 0.42 0.00 -0.26 0.00 0.00 64.21 64.08 1nwi n SER 58 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1nwi h GLN 59 N 0.01 0.00 0.00 4.33 1.08 -1.91 -3.49 115.11 115.13 1nwi h GLN 59 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1nwi h GLN 59 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1nwi h GLN 59 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1nwi n GLY 60 N 0.78 3.38 0.38 3.46 0.00 -1.19 -2.76 105.19 109.24 1nwi n GLY 60 Ca 0.04 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.04 1nwi n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nwi h MET 61 N 0.00 0.60 -0.48 1.61 1.85 -1.93 -1.27 114.93 115.31 1nwi h MET 61 Ca 0.00 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.09 1nwi h MET 61 Cb 0.00 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 31.87 1nwi h MET 61 CO 0.00 0.40 0.32 0.00 -0.40 0.00 0.00 176.91 177.23 1nwi h ALA 62 N 1.62 1.79 -1.78 0.39 0.00 -1.94 -3.40 119.26 115.93 1nwi h ALA 62 Ca 0.53 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.85 1nwi h ALA 62 Cb 1.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1nwi h ALA 62 CO -0.28 0.16 1.23 1.21 0.00 0.00 0.00 179.25 181.56 1nwi s ASN 63 N -6.53 5.92 0.21 0.00 3.84 -0.48 -4.88 114.94 113.02 1nwi s ASN 63 Ca -0.08 1.01 -0.09 0.00 0.21 0.00 0.00 52.86 53.90 1nwi s ASN 63 Cb 0.18 -2.53 0.21 0.00 -0.55 0.00 0.00 41.25 38.56 1nwi s ASN 63 CO 0.74 -1.74 1.85 0.44 -2.79 0.00 0.00 177.10 175.60 1nwi h ASP 64 N 12.58 0.76 -0.66 -4.21 3.32 -1.86 -0.05 116.42 126.31 1nwi h ASP 64 Ca -0.31 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 1nwi h ASP 64 Cb 1.15 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1nwi h ASP 64 CO 1.08 0.52 0.28 0.11 -1.72 0.00 0.00 179.24 179.52 1nwi h LYS 65 N 0.90 0.97 -0.46 3.56 1.57 -1.90 0.12 116.57 121.33 1nwi h LYS 65 Ca 0.30 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 1nwi h LYS 65 Cb 0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1nwi h LYS 65 CO -0.11 0.79 -0.15 1.25 -0.57 0.00 0.00 179.45 180.66 1nwi h LEU 66 N 0.92 0.93 -0.62 2.94 5.85 -1.68 -1.65 115.31 122.00 1nwi h LEU 66 Ca 0.22 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1nwi h LEU 66 Cb 0.17 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1nwi h LEU 66 CO -0.02 1.10 0.19 -0.09 -0.34 0.00 0.00 178.44 179.27 1nwi h ARG 67 N 0.76 0.97 -0.82 1.25 2.43 -0.74 -0.31 114.38 117.91 1nwi h ARG 67 Ca 0.11 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1nwi h ARG 67 Cb 0.71 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 1nwi h ARG 67 CO 0.05 0.86 0.35 0.78 -1.51 0.00 0.00 179.97 180.51 1nwi h GLY 68 N 0.89 1.29 1.00 2.80 0.00 -0.61 -1.94 103.07 106.50 1nwi h GLY 68 Ca 0.20 -0.68 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 1nwi h GLY 68 CO -0.00 0.64 -0.27 0.84 0.00 0.00 0.00 176.54 177.74 1nwi h HIS 69 N 1.18 0.90 -0.71 5.60 -0.00 -0.97 -2.44 115.15 118.71 1nwi h HIS 69 Ca 0.28 -0.26 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 1nwi h HIS 69 Cb 0.18 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.36 1nwi h HIS 69 CO 0.02 1.02 0.29 0.77 -0.00 0.00 0.00 177.93 180.03 1nwi h SER 70 N 0.53 0.96 -0.20 3.26 0.02 -0.88 0.23 113.55 117.46 1nwi h SER 70 Ca 0.06 -0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 60.73 1nwi h SER 70 Cb 0.84 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1nwi h SER 70 CO 0.07 0.85 -0.45 0.40 -1.14 0.00 0.00 176.83 176.56 1nwi h ILE 71 N 1.03 1.32 -0.59 3.27 2.04 -1.37 -3.04 117.51 120.16 1nwi h ILE 71 Ca 0.24 -1.68 -0.07 0.00 1.00 0.00 0.00 64.86 64.36 1nwi h ILE 71 Cb 0.18 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1nwi h ILE 71 CO -0.02 0.52 0.10 0.74 0.00 0.00 0.00 178.15 179.49 1nwi h THR 72 N 0.36 1.25 -0.68 -0.27 2.02 -1.20 -2.80 112.91 111.60 1nwi h THR 72 Ca 0.00 -0.95 0.05 0.00 0.77 0.00 0.00 66.41 66.28 1nwi h THR 72 Cb 1.06 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 1nwi h THR 72 CO 0.10 0.35 0.40 0.25 0.37 0.00 0.00 175.52 176.99 1nwi h LEU 73 N 0.89 0.62 -2.25 2.58 6.46 -0.94 -2.07 115.31 120.60 1nwi h LEU 73 Ca 0.18 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1nwi h LEU 73 Cb 0.38 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1nwi h LEU 73 CO 0.01 0.41 -0.02 0.24 -0.62 0.00 0.00 178.44 178.46 1nwi h MET 74 N 0.75 0.00 0.00 1.25 2.86 -1.38 -1.07 114.93 117.34 1nwi h MET 74 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1nwi h MET 74 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1nwi h MET 74 CO -0.15 0.02 -0.00 0.66 1.06 0.00 0.00 176.91 178.50 1nwi n TYR 75 N -4.03 0.36 0.12 -0.22 4.01 -0.78 -1.47 117.16 115.16 1nwi n TYR 75 Ca -0.03 0.10 -0.23 0.00 -0.16 0.00 0.00 57.90 57.58 1nwi n TYR 75 Cb 0.11 -0.67 -0.15 0.00 -0.31 0.00 0.00 39.34 38.32 1nwi n TYR 75 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nwi h ALA 76 N 2.82 -0.08 -0.16 -0.72 0.00 -1.18 -2.67 119.26 117.27 1nwi h ALA 76 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 54.91 53.93 1nwi h ALA 76 Cb 0.59 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1nwi h ALA 76 CO 0.00 0.71 -0.54 -0.07 0.00 0.00 0.00 179.25 179.35 1nwi h LEU 77 N 0.19 0.52 -0.93 0.00 3.38 -1.44 -2.19 115.31 114.84 1nwi h LEU 77 Ca -0.22 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1nwi h LEU 77 Cb 2.06 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.62 1nwi h LEU 77 CO 0.26 0.96 0.61 -0.61 0.09 0.00 0.00 178.44 179.74 1nwi h GLN 78 N 0.36 1.24 0.17 1.13 5.75 -1.28 -0.95 115.11 121.53 1nwi h GLN 78 Ca 0.01 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1nwi h GLN 78 Cb 1.06 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 29.34 1nwi h GLN 78 CO 0.10 0.83 -0.08 -0.97 -2.65 0.00 0.00 178.83 176.06 1nwi h ASN 79 N 1.27 -0.20 -0.31 -0.69 -0.73 -1.17 -2.12 115.58 111.65 1nwi h ASN 79 Ca 0.34 -0.08 0.04 0.00 1.87 0.00 0.00 56.30 58.47 1nwi h ASN 79 Cb -0.13 0.05 -0.04 0.00 0.27 0.00 0.00 38.32 38.48 1nwi h ASN 79 CO -0.07 -0.04 0.07 -0.26 -0.37 0.00 0.00 177.43 176.76 1nwi h PHE 80 N -0.35 0.13 -0.83 0.67 0.04 -0.93 -2.32 116.94 113.35 1nwi h PHE 80 Ca -0.02 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.83 1nwi h PHE 80 Cb 0.27 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.34 1nwi h PHE 80 CO -0.03 0.04 0.50 0.82 -0.60 0.00 0.00 178.31 179.04 1nwi h ILE 81 N 0.19 1.00 0.00 -0.55 1.08 -1.13 -1.86 117.51 116.24 1nwi h ILE 81 Ca 0.14 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1nwi h ILE 81 Cb 0.14 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 33.92 1nwi h ILE 81 CO -0.17 0.16 0.00 0.44 -0.69 0.00 0.00 178.15 177.89 1nwi h ASP 82 N 0.89 0.00 -0.25 1.72 3.32 -0.85 -2.95 116.42 118.31 1nwi h ASP 82 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1nwi h ASP 82 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1nwi h ASP 82 CO -0.19 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.33 1nwi n GLN 83 N -2.70 2.25 -0.34 3.56 1.13 -0.72 -4.64 117.38 115.92 1nwi n GLN 83 Ca 0.01 -2.05 0.14 0.00 -1.94 0.00 0.00 57.00 53.16 1nwi n GLN 83 Cb 0.27 -1.45 0.33 0.00 0.11 0.00 0.00 30.24 29.51 1nwi n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1nwi h LEU 84 N 4.12 0.69 -0.52 1.08 3.38 -1.31 -1.92 115.31 120.83 1nwi h LEU 84 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1nwi h LEU 84 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1nwi h LEU 84 CO 0.00 0.19 0.00 0.44 0.09 0.00 0.00 178.44 179.16 1nwi h ASP 85 N 0.66 0.00 -4.07 -0.43 3.32 -1.85 -3.39 116.42 110.67 1nwi h ASP 85 Ca 0.59 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 57.00 1nwi h ASP 85 Cb 1.01 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.15 1nwi h ASP 85 CO -0.43 0.00 -0.67 0.21 -1.72 0.00 0.00 179.24 176.63 1nwi s ASN 86 N -4.84 4.36 0.35 6.45 3.84 -0.72 -4.98 114.94 119.41 1nwi s ASN 86 Ca 0.06 -2.70 0.14 0.00 0.21 0.00 0.00 52.86 50.57 1nwi s ASN 86 Cb 0.10 -1.55 1.00 0.00 -0.55 0.00 0.00 41.25 40.24 1nwi s ASN 86 CO 0.52 -0.28 1.73 -0.65 -2.79 0.00 0.00 177.10 175.63 1nwi h PRO 87 N 6.87 0.47 -0.43 0.43 0.11 -1.76 -0.62 132.00 137.07 1nwi h PRO 87 Ca -0.06 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.04 1nwi h PRO 87 Cb 0.93 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1nwi h PRO 87 CO 0.62 0.31 0.24 -0.44 -0.21 0.00 0.00 178.00 178.51 1nwi h ASP 88 N 0.48 0.37 -0.19 -2.05 3.32 -1.93 0.78 116.42 117.19 1nwi h ASP 88 Ca 0.64 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.53 1nwi h ASP 88 Cb 1.41 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 1nwi h ASP 88 CO -0.42 0.26 -0.51 0.44 -1.72 0.00 0.00 179.24 177.29 1nwi h ASP 89 N 0.48 0.85 -0.76 6.45 3.32 -1.47 -2.69 116.42 122.61 1nwi h ASP 89 Ca 0.18 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1nwi h ASP 89 Cb 0.05 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1nwi h ASP 89 CO -0.10 1.20 0.42 0.25 -1.72 0.00 0.00 179.24 179.30 1nwi h LEU 90 N 0.60 0.94 -0.13 1.55 5.85 -0.91 -1.96 115.31 121.25 1nwi h LEU 90 Ca 0.02 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1nwi h LEU 90 Cb 1.09 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1nwi h LEU 90 CO 0.11 0.76 0.05 0.58 -0.34 0.00 0.00 178.44 179.59 1nwi h VAL 91 N 1.04 1.16 -0.18 1.05 2.07 -0.77 -1.66 116.25 118.96 1nwi h VAL 91 Ca 0.27 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1nwi h VAL 91 Cb 0.02 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1nwi h VAL 91 CO -0.04 0.15 -0.25 0.00 0.02 0.00 0.00 177.57 177.44 1nwi h VAL 93 N 0.30 1.42 -0.06 0.00 -1.51 -1.30 -2.42 116.25 112.67 1nwi h VAL 93 Ca 0.05 -2.44 -0.24 0.00 -1.23 0.00 0.00 66.70 62.84 1nwi h VAL 93 Cb 0.61 2.34 0.02 0.00 -2.13 0.00 0.00 31.29 32.13 1nwi h VAL 93 CO 0.04 0.68 -0.89 0.58 -1.23 0.00 0.00 177.57 176.75 1nwi h VAL 94 N 0.00 1.29 -0.54 7.19 2.07 -0.94 -1.96 116.25 123.36 1nwi h VAL 94 Ca -0.01 -2.11 -0.11 0.00 0.82 0.00 0.00 66.70 65.30 1nwi h VAL 94 Cb 1.29 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1nwi h VAL 94 CO 0.09 0.66 -0.08 -0.33 0.02 0.00 0.00 177.57 177.93 1nwi h GLU 95 N 0.41 0.99 0.22 1.57 5.08 -1.27 -0.27 114.58 121.31 1nwi h GLU 95 Ca -0.09 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1nwi h GLU 95 Cb 1.54 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 1nwi h GLU 95 CO 0.18 1.02 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.86 1nwi h LYS 96 N 0.89 -0.33 -0.78 2.33 1.63 -1.45 -2.59 116.57 116.27 1nwi h LYS 96 Ca 0.15 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.10 1nwi h LYS 96 Cb 0.63 0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 32.24 1nwi h LYS 96 CO 0.04 -0.22 0.37 0.35 -3.45 0.00 0.00 179.45 176.54 1nwi h PHE 97 N -0.34 0.64 0.00 1.91 3.57 -1.13 -2.03 116.94 119.56 1nwi h PHE 97 Ca -0.02 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1nwi h PHE 97 Cb 0.29 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1nwi h PHE 97 CO -0.09 0.15 -0.25 0.00 -2.23 0.00 0.00 178.31 175.89 1nwi h ALA 98 N 1.52 1.28 -0.51 2.41 0.00 -0.76 -3.32 119.26 119.88 1nwi h ALA 98 Ca 0.42 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1nwi h ALA 98 Cb 0.57 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 1nwi h ALA 98 CO -0.35 0.32 -0.47 0.28 0.00 0.00 0.00 179.25 179.03 1nwi h VAL 99 N 0.00 0.07 -0.23 0.00 2.07 -0.98 0.16 116.25 117.33 1nwi h VAL 99 Ca -0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1nwi h VAL 99 Cb 0.56 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1nwi h VAL 99 CO 0.03 0.00 -0.22 0.78 0.02 0.00 0.00 177.57 178.19 1nwi h ASN 100 N -0.29 0.42 0.86 0.57 2.35 -1.75 -2.59 115.58 115.15 1nwi h ASN 100 Ca 0.14 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1nwi h ASN 100 Cb 0.57 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1nwi h ASN 100 CO -0.64 0.65 -0.28 0.45 -1.65 0.00 0.00 177.43 175.95 1nwi h HIS 101 N 0.38 0.00 0.07 1.19 3.86 -1.46 -2.35 115.15 116.83 1nwi h HIS 101 Ca 0.06 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.99 1nwi h HIS 101 Cb 0.59 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.09 1nwi h HIS 101 CO 0.02 0.28 -1.14 0.82 0.86 0.00 0.00 177.93 178.76 1nwi h ILE 102 N 0.00 1.31 0.00 2.45 2.04 -0.72 -1.09 117.51 121.51 1nwi h ILE 102 Ca -0.00 -2.44 -0.04 0.00 1.00 0.00 0.00 64.86 63.38 1nwi h ILE 102 Cb 0.78 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 1nwi h ILE 102 CO 0.04 0.74 -0.19 0.71 0.00 0.00 0.00 178.15 179.45 1nwi h THR 103 N 0.29 0.79 -0.09 -0.27 1.35 -1.26 -0.96 112.91 112.76 1nwi h THR 103 Ca -0.15 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1nwi h THR 103 Cb 1.81 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1nwi h THR 103 CO 0.22 0.18 0.00 0.54 -0.25 0.00 0.00 175.52 176.21 1nwi n ARG 104 N -3.82 1.45 -2.19 4.72 1.74 -0.90 -4.91 116.66 112.74 1nwi n ARG 104 Ca -0.02 -0.67 -0.14 0.00 -0.77 0.00 0.00 57.85 56.26 1nwi n ARG 104 Cb 0.29 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 1nwi n ARG 104 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1nwi n LYS 105 N -0.12 -1.08 -2.82 5.56 4.76 -0.36 -4.97 118.16 119.13 1nwi n LYS 105 Ca 0.16 0.69 -0.43 0.00 -2.87 0.00 0.00 58.31 55.85 1nwi n LYS 105 Cb 0.23 -4.93 -0.04 0.00 -1.84 0.00 0.00 35.03 28.45 1nwi n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nwi s ILE 106 N -2.67 4.46 0.77 -0.18 -1.09 -0.42 -5.03 121.20 117.05 1nwi s ILE 106 Ca 0.00 0.75 -0.12 0.00 -2.23 0.00 0.00 60.65 59.05 1nwi s ILE 106 Cb 0.00 -4.44 0.05 0.00 -1.58 0.00 0.00 42.46 36.49 1nwi s ILE 106 CO 0.00 -0.84 1.10 -0.94 -1.23 0.00 0.00 174.94 173.03 1nwi s SER 107 N 2.28 4.79 0.46 3.58 1.04 -1.26 -4.65 113.70 119.93 1nwi s SER 107 Ca 0.37 1.20 0.12 0.00 0.48 0.00 0.00 55.95 58.12 1nwi s SER 107 Cb -0.10 -1.93 1.05 0.00 0.10 0.00 0.00 66.02 65.14 1nwi s SER 107 CO 0.26 -1.77 2.09 0.00 0.98 0.00 0.00 173.24 174.80 1nwi h ALA 108 N -0.95 1.87 -0.12 5.32 0.00 -1.85 -1.45 119.26 122.08 1nwi h ALA 108 Ca -0.46 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 1nwi h ALA 108 Cb 1.27 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1nwi h ALA 108 CO 0.61 0.11 -0.45 0.00 0.00 0.00 0.00 179.25 179.52 1nwi h ALA 109 N 1.84 0.21 -0.19 0.00 0.00 -1.95 -2.51 119.26 116.67 1nwi h ALA 109 Ca 0.10 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1nwi h ALA 109 Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nwi h ALA 109 CO -0.02 0.36 0.10 0.93 0.00 0.00 0.00 179.25 180.62 1nwi h GLU 110 N 0.12 0.20 -0.82 0.00 4.39 -1.80 -2.53 114.58 114.13 1nwi h GLU 110 Ca -0.02 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.71 1nwi h GLU 110 Cb 1.09 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.64 1nwi h GLU 110 CO 0.10 0.14 0.54 0.35 -1.16 0.00 0.00 179.01 178.97 1nwi h PHE 111 N 0.21 0.96 0.00 4.33 3.57 -1.32 -1.53 116.94 123.15 1nwi h PHE 111 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1nwi h PHE 111 Cb 0.01 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1nwi h PHE 111 CO -0.09 0.53 0.00 0.78 -2.23 0.00 0.00 178.31 177.31 1nwi h GLY 112 N 0.97 0.00 2.00 2.40 0.00 -0.99 -2.10 103.07 105.35 1nwi h GLY 112 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1nwi h GLY 112 CO -0.11 0.00 0.00 0.50 0.00 0.00 0.00 176.54 176.93 1nwi h LYS 113 N 0.00 0.00 0.00 4.80 1.57 -1.30 -1.83 116.57 119.82 1nwi h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nwi h LYS 113 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1nwi h LYS 113 CO 0.00 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.85 1nwi h ILE 114 N 0.00 0.00 -0.90 1.86 6.09 -1.59 -3.18 117.51 119.79 1nwi h ILE 114 Ca 0.00 -0.48 0.02 0.00 -1.37 0.00 0.00 64.86 63.03 1nwi h ILE 114 Cb 0.15 1.40 -0.05 0.00 0.47 0.00 0.00 36.82 38.79 1nwi h ILE 114 CO 0.00 0.00 0.59 0.78 -3.07 0.00 0.00 178.15 176.45 1nwi h ASN 115 N 0.00 1.01 0.73 2.19 -0.26 -1.56 -2.07 115.58 115.62 1nwi h ASN 115 Ca 0.00 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1nwi h ASN 115 Cb 0.55 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1nwi h ASN 115 CO 0.00 0.72 -0.48 1.23 -1.06 0.00 0.00 177.43 177.84 1nwi h GLY 116 N 1.19 -1.28 0.34 2.83 0.00 -1.77 -1.22 103.07 103.16 1nwi h GLY 116 Ca 0.34 0.53 0.13 0.00 0.00 0.00 0.00 47.33 48.33 1nwi h GLY 116 CO -0.09 -0.43 0.46 -2.55 0.00 0.00 0.00 176.54 173.93 1nwi h PRO 117 N -1.14 0.68 -0.71 4.80 0.11 -1.72 -1.36 132.00 132.66 1nwi h PRO 117 Ca -0.10 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1nwi h PRO 117 Cb 0.93 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 1nwi h PRO 117 CO 0.08 0.45 0.42 0.82 -0.21 0.00 0.00 178.00 179.56 1nwi h ILE 118 N 0.70 1.21 -0.27 4.15 2.04 -1.21 -0.71 117.51 123.42 1nwi h ILE 118 Ca 0.44 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1nwi h ILE 118 Cb 0.54 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1nwi h ILE 118 CO -0.32 0.22 0.14 0.50 0.00 0.00 0.00 178.15 178.70 1nwi h LYS 119 N 0.97 0.29 -0.51 2.37 3.64 -0.12 -0.92 116.57 122.29 1nwi h LYS 119 Ca 0.25 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1nwi h LYS 119 Cb -0.01 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1nwi h LYS 119 CO -0.05 0.19 -0.01 0.87 -2.27 0.00 0.00 179.45 178.19 1nwi h LYS 120 N 0.29 0.91 -0.70 1.90 1.57 -1.14 -0.80 116.57 118.60 1nwi h LYS 120 Ca 0.11 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1nwi h LYS 120 Cb 0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1nwi h LYS 120 CO -0.07 0.94 0.39 0.28 -0.57 0.00 0.00 179.45 180.41 1nwi h VAL 121 N 0.78 1.21 -0.40 0.50 2.07 -0.93 -0.97 116.25 118.52 1nwi h VAL 121 Ca 0.14 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1nwi h VAL 121 Cb 0.53 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1nwi h VAL 121 CO 0.03 0.23 0.18 -0.07 0.02 0.00 0.00 177.57 177.96 1nwi h LEU 122 N 0.96 0.53 -1.43 2.57 3.38 -0.98 -2.74 115.31 117.60 1nwi h LEU 122 Ca 0.25 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1nwi h LEU 122 Cb 0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1nwi h LEU 122 CO -0.04 0.52 0.40 0.00 0.09 0.00 0.00 178.44 179.41 1nwi h ALA 123 N 1.03 1.63 0.00 1.53 0.00 -0.66 0.04 119.26 122.83 1nwi h ALA 123 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nwi h ALA 123 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nwi h ALA 123 CO -0.02 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 1nwi n SER 124 N -4.46 0.56 -0.55 0.00 3.41 -0.41 -0.99 113.62 111.19 1nwi n SER 124 Ca 0.07 0.70 0.05 0.00 -0.26 0.00 0.00 58.87 59.43 1nwi n SER 124 Cb 0.09 -0.80 0.13 0.00 -0.26 0.00 0.00 64.21 63.38 1nwi n SER 124 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nwi n LYS 125 N -2.19 2.71 -1.76 4.33 4.76 -0.10 -4.98 118.16 120.93 1nwi n LYS 125 Ca 0.00 -1.92 -0.04 0.00 -2.87 0.00 0.00 58.31 53.49 1nwi n LYS 125 Cb 0.12 -1.23 -0.01 0.00 -1.84 0.00 0.00 35.03 32.08 1nwi n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1nwi n ASN 126 N 0.40 -2.37 -4.44 4.39 3.02 -0.16 -5.03 115.26 111.07 1nwi n ASN 126 Ca 0.10 0.03 -0.40 0.00 -0.03 0.00 0.00 54.58 54.28 1nwi n ASN 126 Cb 0.39 -1.27 -0.11 0.00 -0.61 0.00 0.00 39.78 38.18 1nwi n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1nwi s PHE 127 N -2.17 3.21 0.25 3.10 0.40 -0.58 -4.98 117.98 117.22 1nwi s PHE 127 Ca 0.00 -0.60 -0.04 0.00 -0.60 0.00 0.00 56.93 55.69 1nwi s PHE 127 Cb 0.00 -2.43 0.06 0.00 0.51 0.00 0.00 43.02 41.16 1nwi s PHE 127 CO 0.00 -0.50 0.34 0.41 0.70 0.00 0.00 175.22 176.17 1nwi n GLY 128 N 5.03 -1.22 0.38 4.36 0.00 -1.26 -3.31 105.19 109.17 1nwi n GLY 128 Ca -0.13 -1.68 0.32 0.00 0.00 0.00 0.00 46.02 44.53 1nwi n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nwi h ASP 129 N -0.45 0.34 -0.74 1.61 5.19 -1.98 0.86 116.42 121.25 1nwi h ASP 129 Ca -0.11 0.20 0.08 0.00 -0.62 0.00 0.00 57.03 56.57 1nwi h ASP 129 Cb 0.31 0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.93 1nwi h ASP 129 CO 0.08 -0.27 0.41 0.50 -3.12 0.00 0.00 179.24 176.84 1nwi h LYS 130 N 0.11 0.70 -0.11 3.56 3.64 -2.00 0.35 116.57 122.82 1nwi h LYS 130 Ca 0.81 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.95 1nwi h LYS 130 Cb 2.24 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 33.92 1nwi h LYS 130 CO -0.60 0.46 -0.73 1.88 -2.27 0.00 0.00 179.45 178.20 1nwi h TYR 131 N 0.72 0.94 -0.77 1.91 0.05 -1.16 -2.76 116.97 115.89 1nwi h TYR 131 Ca 0.35 -0.43 0.08 0.00 0.05 0.00 0.00 58.73 58.78 1nwi h TYR 131 Cb 0.28 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 37.82 1nwi h TYR 131 CO -0.08 1.25 0.44 0.00 -1.05 0.00 0.00 178.16 178.72 1nwi h ALA 132 N 0.49 1.08 -0.76 3.88 0.00 -1.02 -0.27 119.26 122.66 1nwi h ALA 132 Ca -0.06 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1nwi h ALA 132 Cb 1.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1nwi h ALA 132 CO 0.15 0.08 0.25 -0.91 0.00 0.00 0.00 179.25 178.82 1nwi h ASN 133 N 0.75 1.10 -0.22 0.00 -0.26 -0.94 -0.34 115.58 115.67 1nwi h ASN 133 Ca 0.37 -0.20 0.02 0.00 -0.56 0.00 0.00 56.30 55.92 1nwi h ASN 133 Cb 0.31 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 37.26 1nwi h ASN 133 CO -0.23 1.01 0.10 0.00 -1.06 0.00 0.00 177.43 177.25 1nwi h ALA 134 N 1.13 0.26 -0.18 -0.83 0.00 -0.81 -2.06 119.26 116.78 1nwi h ALA 134 Ca 0.25 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1nwi h ALA 134 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1nwi h ALA 134 CO -0.01 -0.31 -0.21 -1.49 0.00 0.00 0.00 179.25 177.23 1nwi h TRP 135 N 0.22 0.35 -0.04 0.00 4.06 -0.90 -2.13 115.95 117.52 1nwi h TRP 135 Ca 0.09 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 1nwi h TRP 135 Cb 0.03 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.10 1nwi h TRP 135 CO -0.10 0.52 -0.07 0.00 -3.56 0.00 0.00 178.44 175.24 1nwi h ALA 136 N 1.49 1.82 -0.00 1.49 0.00 -0.39 -1.03 119.26 122.63 1nwi h ALA 136 Ca 0.05 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1nwi h ALA 136 Cb 0.55 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1nwi h ALA 136 CO 0.04 0.14 -0.84 0.87 0.00 0.00 0.00 179.25 179.46 1nwi h LYS 137 N 0.05 0.12 -0.24 0.00 1.57 -0.81 -1.98 116.57 115.28 1nwi h LYS 137 Ca 0.01 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1nwi h LYS 137 Cb 0.16 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1nwi h LYS 137 CO 0.01 0.88 -0.26 1.25 -0.57 0.00 0.00 179.45 180.76 1nwi h LEU 138 N 0.07 0.65 -1.60 2.94 5.85 -1.07 -2.79 115.31 119.36 1nwi h LEU 138 Ca -0.03 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1nwi h LEU 138 Cb 1.45 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1nwi h LEU 138 CO 0.12 1.00 0.04 0.58 -0.34 0.00 0.00 178.44 179.84 1nwi h VAL 139 N 0.31 1.11 -0.27 1.05 2.07 -1.22 -1.62 116.25 117.68 1nwi h VAL 139 Ca 0.04 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1nwi h VAL 139 Cb 0.82 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1nwi h VAL 139 CO 0.06 0.14 0.01 0.00 0.02 0.00 0.00 177.57 177.80 1nwi h ALA 140 N 1.75 1.52 -0.56 1.67 0.00 -1.09 -1.06 119.26 121.50 1nwi h ALA 140 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1nwi h ALA 140 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1nwi h ALA 140 CO -0.00 0.35 0.30 0.28 0.00 0.00 0.00 179.25 180.18 1nwi h VAL 141 N 0.39 1.19 -0.34 0.00 2.07 -1.12 -0.98 116.25 117.47 1nwi h VAL 141 Ca 0.09 -0.48 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 1nwi h VAL 141 Cb 0.25 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1nwi h VAL 141 CO 0.00 0.20 -0.31 0.58 0.02 0.00 0.00 177.57 178.07 1nwi h VAL 142 N 0.75 1.28 -0.08 2.57 2.07 -1.39 -2.78 116.25 118.67 1nwi h VAL 142 Ca 0.20 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 1nwi h VAL 142 Cb 0.05 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1nwi h VAL 142 CO -0.03 0.47 -0.16 1.56 0.02 0.00 0.00 177.57 179.43 1nwi h GLN 143 N 0.62 0.12 0.00 1.57 4.20 -0.74 -1.03 115.11 119.85 1nwi h GLN 143 Ca 0.07 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1nwi h GLN 143 Cb 0.82 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1nwi h GLN 143 CO 0.07 0.29 0.00 0.00 -0.67 0.00 0.00 178.83 178.52 1nwi n ALA 144 N -2.50 1.61 0.74 3.87 0.00 -0.41 -2.07 120.51 121.75 1nwi n ALA 144 Ca -0.01 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1nwi n ALA 144 Cb 0.26 -1.33 0.07 0.00 0.00 0.00 0.00 19.45 18.45 1nwi n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nwi n ALA 145 N -1.69 2.55 0.72 0.00 0.00 -0.41 -4.47 120.51 117.22 1nwi n ALA 145 Ca 0.02 -0.63 0.09 0.00 0.00 0.00 0.00 53.44 52.92 1nwi n ALA 145 Cb 0.20 -0.60 0.07 0.00 0.00 0.00 0.00 19.45 19.12 1nwi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78