#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwn h VAL 3 N 0.00 0.98 -0.51 -3.33 2.07 -1.88 -0.41 116.25 113.18 1nwn h VAL 3 Ca 0.00 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 1nwn h VAL 3 Cb 0.00 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1nwn h VAL 3 CO 0.00 0.04 -0.09 1.88 0.02 0.00 0.00 177.57 179.42 1nwn h TYR 4 N 0.00 1.08 -0.06 1.57 0.05 -1.95 0.41 116.97 118.06 1nwn h TYR 4 Ca -0.00 -0.22 -0.04 0.00 0.05 0.00 0.00 58.73 58.52 1nwn h TYR 4 Cb 0.07 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 1nwn h TYR 4 CO 0.00 1.02 -0.10 -0.44 -1.05 0.00 0.00 178.16 177.58 1nwn h ASP 5 N 0.83 0.20 -0.54 3.88 3.32 -1.57 -2.28 116.42 120.25 1nwn h ASP 5 Ca 0.13 -0.55 0.08 0.00 0.02 0.00 0.00 57.03 56.72 1nwn h ASP 5 Cb 0.65 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.08 1nwn h ASP 5 CO 0.04 0.71 0.19 0.00 -1.72 0.00 0.00 179.24 178.46 1nwn h ALA 6 N 0.50 0.67 -0.69 3.45 0.00 -1.10 -0.29 119.26 121.80 1nwn h ALA 6 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nwn h ALA 6 Cb 0.67 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1nwn h ALA 6 CO 0.02 -0.21 0.46 0.00 0.00 0.00 0.00 179.25 179.52 1nwn h ALA 7 N 1.36 1.53 0.00 0.00 0.00 -0.92 -0.75 119.26 120.49 1nwn h ALA 7 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1nwn h ALA 7 Cb 0.30 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nwn h ALA 7 CO -0.27 0.43 -0.05 0.00 0.00 0.00 0.00 179.25 179.37 1nwn h ALA 8 N 1.58 1.07 0.00 0.00 0.00 -0.46 -2.77 119.26 118.68 1nwn h ALA 8 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nwn h ALA 8 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1nwn h ALA 8 CO -0.06 0.06 0.00 0.94 0.00 0.00 0.00 179.25 180.20 1nwn n GLN 9 N -3.25 0.39 -2.77 0.00 7.27 -0.29 -4.51 117.38 114.22 1nwn n GLN 9 Ca -0.01 0.07 -0.43 0.00 0.07 0.00 0.00 57.00 56.70 1nwn n GLN 9 Cb 0.25 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.37 1nwn n GLN 9 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1nwn s LEU 10 N -2.36 4.41 0.98 1.69 1.43 -1.05 -5.00 118.68 118.77 1nwn s LEU 10 Ca 0.22 -1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 51.33 1nwn s LEU 10 Cb 0.13 -2.47 0.18 0.00 0.03 0.00 0.00 46.19 44.05 1nwn s LEU 10 CO 0.26 -1.23 1.10 0.42 0.23 0.00 0.00 176.35 177.13 1nwn s THR 11 N 3.58 2.12 0.39 5.49 -4.23 -1.26 -4.69 115.64 117.04 1nwn s THR 11 Ca 0.39 0.04 0.13 0.00 -1.18 0.00 0.00 61.69 61.07 1nwn s THR 11 Cb -0.03 -2.57 0.35 0.00 1.34 0.00 0.00 72.50 71.59 1nwn s THR 11 CO -0.09 -0.05 1.87 0.00 -0.54 0.00 0.00 174.62 175.82 1nwn h ALA 12 N -1.80 2.00 -0.22 3.99 0.00 -1.98 -0.02 119.26 121.23 1nwn h ALA 12 Ca -0.53 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1nwn h ALA 12 Cb 1.33 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nwn h ALA 12 CO 0.58 -0.25 -0.30 -0.44 0.00 0.00 0.00 179.25 178.84 1nwn h ASP 13 N 0.55 0.64 -0.47 0.00 3.32 -1.99 -1.51 116.42 116.95 1nwn h ASP 13 Ca 0.44 -0.51 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1nwn h ASP 13 Cb 0.88 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1nwn h ASP 13 CO -0.18 1.02 0.15 0.58 -1.72 0.00 0.00 179.24 179.09 1nwn h VAL 14 N 0.27 1.23 -0.67 -1.35 2.07 -1.66 -1.63 116.25 114.51 1nwn h VAL 14 Ca 0.02 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1nwn h VAL 14 Cb 0.87 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1nwn h VAL 14 CO 0.07 0.27 0.44 0.11 0.02 0.00 0.00 177.57 178.48 1nwn h LYS 15 N 0.63 0.85 -0.51 1.57 1.57 -1.00 -0.32 116.57 119.35 1nwn h LYS 15 Ca 0.15 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1nwn h LYS 15 Cb 0.27 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1nwn h LYS 15 CO -0.00 0.56 0.29 -0.22 -0.57 0.00 0.00 179.45 179.51 1nwn h LYS 16 N 0.87 0.70 -0.54 3.15 1.63 -0.97 0.02 116.57 121.44 1nwn h LYS 16 Ca 0.26 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 59.90 1nwn h LYS 16 Cb -0.05 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 1nwn h LYS 16 CO -0.08 0.53 0.01 -0.44 -3.45 0.00 0.00 179.45 176.03 1nwn h ASP 17 N 0.68 0.88 -0.52 4.20 3.32 -0.89 -0.21 116.42 123.88 1nwn h ASP 17 Ca 0.18 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1nwn h ASP 17 Cb 0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1nwn h ASP 17 CO -0.03 0.93 0.12 -0.07 -1.72 0.00 0.00 179.24 178.47 1nwn h LEU 18 N 0.84 0.79 0.07 1.55 3.38 -0.68 -2.00 115.31 119.25 1nwn h LEU 18 Ca 0.16 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1nwn h LEU 18 Cb 0.48 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1nwn h LEU 18 CO 0.02 0.82 -0.04 0.03 0.09 0.00 0.00 178.44 179.36 1nwn h ARG 19 N 0.72 -0.10 -0.55 1.13 3.08 -0.71 -1.32 114.38 116.63 1nwn h ARG 19 Ca 0.16 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.28 1nwn h ARG 19 Cb 0.34 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1nwn h ARG 19 CO 0.00 0.25 0.26 -0.44 -1.07 0.00 0.00 179.97 178.97 1nwn h ASP 20 N -0.45 0.35 0.08 7.04 3.32 -1.04 -1.65 116.42 124.08 1nwn h ASP 20 Ca -0.01 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 1nwn h ASP 20 Cb 0.39 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1nwn h ASP 20 CO 0.02 0.24 -0.44 0.77 -1.72 0.00 0.00 179.24 178.11 1nwn h SER 21 N 0.50 0.47 0.37 6.45 4.64 -1.39 -2.74 113.55 121.85 1nwn h SER 21 Ca 0.25 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1nwn h SER 21 Cb 0.20 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1nwn h SER 21 CO -0.19 0.85 -0.11 -0.25 -0.87 0.00 0.00 176.83 176.25 1nwn h TRP 22 N 0.36 0.00 -0.29 4.77 2.91 -0.46 -1.14 115.95 122.10 1nwn h TRP 22 Ca 0.03 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 1nwn h TRP 22 Cb 0.91 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.55 1nwn h TRP 22 CO 0.03 0.11 0.11 0.87 -1.03 0.00 0.00 178.44 178.54 1nwn h LYS 23 N 0.00 0.40 0.00 2.65 1.79 -1.00 0.57 116.57 120.98 1nwn h LYS 23 Ca -0.00 -0.04 -0.25 0.00 -2.18 0.00 0.00 60.65 58.17 1nwn h LYS 23 Cb 0.33 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.87 1nwn h LYS 23 CO 0.01 0.34 -1.45 0.28 -1.08 0.00 0.00 179.45 177.55 1nwn n VAL 24 N -4.42 1.52 -0.11 0.50 0.31 -0.65 -3.85 118.33 111.63 1nwn n VAL 24 Ca 0.01 -0.07 -0.07 0.00 -0.01 0.00 0.00 64.34 64.20 1nwn n VAL 24 Cb 0.13 -2.06 0.10 0.00 -0.91 0.00 0.00 33.84 31.11 1nwn n VAL 24 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1nwn h ILE 25 N -1.00 1.26 0.00 2.52 2.04 -1.28 -2.84 117.51 118.21 1nwn h ILE 25 Ca -0.38 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.26 1nwn h ILE 25 Cb 1.28 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1nwn h ILE 25 CO -0.23 0.42 0.00 0.61 0.00 0.00 0.00 178.15 178.95 1nwn n GLY 26 N -0.38 -1.39 0.00 5.37 0.00 0.19 -3.19 105.19 105.79 1nwn n GLY 26 Ca 0.01 0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1nwn n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nwn n SER 27 N -2.26 0.00 -2.89 1.61 3.41 -1.07 -3.76 113.62 108.66 1nwn n SER 27 Ca 0.03 -1.63 -0.13 0.00 -0.26 0.00 0.00 58.87 56.88 1nwn n SER 27 Cb 0.28 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1nwn n SER 27 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1nwn n ASP 28 N -0.64 -1.94 -0.04 4.04 2.03 -1.19 -5.01 116.55 113.80 1nwn n ASP 28 Ca 0.06 -3.11 0.02 0.00 0.52 0.00 0.00 54.79 52.28 1nwn n ASP 28 Cb 0.03 1.05 0.35 0.00 -0.72 0.00 0.00 41.12 41.83 1nwn n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1nwn h LYS 29 N 4.02 0.62 0.09 -0.67 1.57 -1.75 -0.60 116.57 119.84 1nwn h LYS 29 Ca -0.08 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1nwn h LYS 29 Cb 0.98 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1nwn h LYS 29 CO 0.37 0.48 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.46 1nwn h LYS 30 N 0.62 -0.12 0.44 3.15 3.64 -1.92 -0.93 116.57 121.45 1nwn h LYS 30 Ca 0.16 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1nwn h LYS 30 Cb 0.06 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1nwn h LYS 30 CO -0.02 0.28 -0.21 0.78 -2.27 0.00 0.00 179.45 178.01 1nwn h GLY 31 N -0.55 -0.61 1.99 5.01 0.00 -1.95 -2.42 103.07 104.54 1nwn h GLY 31 Ca -0.01 0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 1nwn h GLY 31 CO 0.02 -0.22 -0.38 3.43 0.00 0.00 0.00 176.54 179.39 1nwn h ASN 32 N -0.87 0.01 -0.28 0.19 2.35 -1.24 -1.51 115.58 114.23 1nwn h ASN 32 Ca -0.06 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1nwn h ASN 32 Cb 0.56 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1nwn h ASN 32 CO 0.10 0.39 -0.09 1.23 -1.65 0.00 0.00 177.43 177.41 1nwn h GLY 33 N 1.14 0.61 1.71 2.83 0.00 -1.20 -1.03 103.07 107.13 1nwn h GLY 33 Ca -0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 1nwn h GLY 33 CO 0.05 0.47 -0.36 -2.08 0.00 0.00 0.00 176.54 174.62 1nwn h VAL 34 N 0.32 1.29 -0.37 4.60 2.07 -1.26 -2.47 116.25 120.44 1nwn h VAL 34 Ca 0.07 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1nwn h VAL 34 Cb 0.58 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1nwn h VAL 34 CO 0.03 0.44 0.13 0.00 0.02 0.00 0.00 177.57 178.19 1nwn h ALA 35 N 1.34 0.48 -0.99 1.67 0.00 -1.07 0.75 119.26 121.44 1nwn h ALA 35 Ca 0.03 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1nwn h ALA 35 Cb 0.77 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1nwn h ALA 35 CO 0.06 0.10 0.65 -0.07 0.00 0.00 0.00 179.25 179.99 1nwn h LEU 36 N 0.44 1.07 0.03 0.00 3.38 -0.97 -0.75 115.31 118.51 1nwn h LEU 36 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nwn h LEU 36 Cb 0.23 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1nwn h LEU 36 CO -0.01 0.72 -0.02 0.24 0.09 0.00 0.00 178.44 179.46 1nwn h MET 37 N 1.23 -0.04 0.00 1.13 2.86 -1.08 -1.83 114.93 117.19 1nwn h MET 37 Ca 0.40 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.01 1nwn h MET 37 Cb 0.05 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1nwn h MET 37 CO -0.14 0.53 -0.16 1.79 1.06 0.00 0.00 176.91 179.99 1nwn h THR 38 N -0.66 0.85 -0.04 2.22 1.35 -0.76 -1.17 112.91 114.71 1nwn h THR 38 Ca -0.00 -0.59 -0.20 0.00 -0.55 0.00 0.00 66.41 65.07 1nwn h THR 38 Cb 0.59 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1nwn h THR 38 CO 0.01 0.15 -0.81 0.74 -0.25 0.00 0.00 175.52 175.36 1nwn h THR 39 N 0.00 1.40 -0.57 6.82 2.02 -1.15 -1.43 112.91 120.01 1nwn h THR 39 Ca -0.00 -2.30 -0.03 0.00 0.77 0.00 0.00 66.41 64.84 1nwn h THR 39 Cb 0.33 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 1nwn h THR 39 CO 0.02 0.69 0.22 0.25 0.37 0.00 0.00 175.52 177.07 1nwn h LEU 40 N 0.23 0.79 -0.63 2.58 5.85 -0.36 -1.65 115.31 122.13 1nwn h LEU 40 Ca -0.05 -0.17 -0.15 0.00 0.84 0.00 0.00 57.88 58.35 1nwn h LEU 40 Cb 1.41 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1nwn h LEU 40 CO 0.14 0.75 -0.56 -0.26 -0.34 0.00 0.00 178.44 178.16 1nwn h PHE 41 N 0.78 0.47 -0.19 1.25 0.04 -1.25 -0.48 116.94 117.55 1nwn h PHE 41 Ca 0.19 -0.17 -0.15 0.00 2.80 0.00 0.00 57.97 60.64 1nwn h PHE 41 Cb 0.21 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1nwn h PHE 41 CO 0.01 0.85 -0.50 0.00 -0.60 0.00 0.00 178.31 178.06 1nwn h ALA 42 N 1.12 0.77 0.00 2.45 0.00 -1.01 -3.13 119.26 119.45 1nwn h ALA 42 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nwn h ALA 42 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1nwn h ALA 42 CO 0.09 0.67 -1.24 -0.25 0.00 0.00 0.00 179.25 178.53 1nwn n ASP 43 N -3.98 0.55 -3.21 0.00 8.00 -0.64 -4.62 116.55 112.66 1nwn n ASP 43 Ca -0.03 -0.26 -0.24 0.00 0.71 0.00 0.00 54.79 54.97 1nwn n ASP 43 Cb 0.57 1.08 -0.07 0.00 -0.02 0.00 0.00 41.12 42.68 1nwn n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nwn n ASN 44 N -1.99 0.37 0.27 -2.24 4.13 -0.19 -4.96 115.26 110.64 1nwn n ASN 44 Ca 0.01 -2.73 0.18 0.00 1.68 0.00 0.00 54.58 53.72 1nwn n ASN 44 Cb 0.46 -0.64 0.92 0.00 -1.54 0.00 0.00 39.78 38.97 1nwn n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1nwn h GLN 45 N 4.03 0.00 0.00 3.52 7.50 -1.76 -0.69 115.11 127.71 1nwn h GLN 45 Ca 0.08 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.23 1nwn h GLN 45 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.40 1nwn h GLN 45 CO 0.48 0.00 0.00 -0.85 -1.50 0.00 0.00 178.83 176.96 1nwn n GLU 46 N -3.42 0.12 0.05 1.46 0.00 -1.26 -2.52 120.64 115.07 1nwn n GLU 46 Ca -0.00 0.39 0.12 0.00 0.00 0.00 0.00 57.16 57.67 1nwn n GLU 46 Cb 0.28 -1.75 0.14 0.00 0.00 0.00 0.00 31.44 30.11 1nwn n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1nwn n THR 47 N -1.98 0.31 -0.36 3.84 -2.24 -0.26 -4.29 114.28 109.28 1nwn n THR 47 Ca 0.02 -0.26 0.05 0.00 -2.27 0.00 0.00 64.05 61.59 1nwn n THR 47 Cb 0.18 -0.05 0.21 0.00 -2.10 0.00 0.00 70.33 68.57 1nwn n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1nwn h ILE 48 N 0.00 0.99 0.00 2.28 2.04 -1.64 -2.43 117.51 118.75 1nwn h ILE 48 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1nwn h ILE 48 Cb 0.74 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1nwn h ILE 48 CO 0.00 0.19 0.13 1.23 0.00 0.00 0.00 178.15 179.71 1nwn h GLY 49 N 1.06 0.00 2.00 5.37 0.00 -1.80 -0.81 103.07 108.89 1nwn h GLY 49 Ca 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.70 1nwn h GLY 49 CO -0.22 0.00 -0.44 -0.97 0.00 0.00 0.00 176.54 174.91 1nwn h TYR 50 N 0.00 0.00 -0.88 5.60 0.05 -1.73 -3.29 116.97 116.72 1nwn h TYR 50 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.30 1nwn h TYR 50 Cb 0.27 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 37.74 1nwn h TYR 50 CO 0.00 0.44 0.61 1.19 -1.05 0.00 0.00 178.16 179.35 1nwn n PHE 51 N -3.36 2.72 -0.31 4.88 3.72 -0.31 -4.64 117.46 120.16 1nwn n PHE 51 Ca 0.01 -1.85 0.14 0.00 -0.05 0.00 0.00 57.45 55.69 1nwn n PHE 51 Cb 0.62 -0.94 0.37 0.00 -0.94 0.00 0.00 39.48 38.60 1nwn n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1nwn h LYS 52 N 1.03 0.67 -0.41 -1.08 3.64 -1.69 -1.77 116.57 116.96 1nwn h LYS 52 Ca 0.56 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.89 1nwn h LYS 52 Cb 2.36 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 34.01 1nwn h LYS 52 CO 1.04 0.44 0.21 -0.09 -2.27 0.00 0.00 179.45 178.78 1nwn h ARG 53 N 0.69 0.55 0.00 1.90 2.43 -1.92 -2.57 114.38 115.46 1nwn h ARG 53 Ca 0.51 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1nwn h ARG 53 Cb 0.89 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1nwn h ARG 53 CO -0.28 0.42 0.00 1.28 -1.51 0.00 0.00 179.97 179.88 1nwn n LEU 54 N -4.42 0.00 0.00 3.80 4.77 -0.66 -4.99 117.00 115.49 1nwn n LEU 54 Ca 0.03 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1nwn n LEU 54 Cb 0.10 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1nwn n LEU 54 CO 0.36 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1nwn n GLY 55 N 0.24 0.91 3.54 -0.72 0.00 -0.97 -4.40 105.19 103.79 1nwn n GLY 55 Ca 0.14 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1nwn n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nwn s ASN 56 N -4.00 6.27 0.21 1.61 2.47 -1.26 -4.85 114.94 115.39 1nwn s ASN 56 Ca 0.00 -0.82 0.20 0.00 0.42 0.00 0.00 52.86 52.67 1nwn s ASN 56 Cb 0.00 -2.55 0.89 0.00 -1.45 0.00 0.00 41.25 38.15 1nwn s ASN 56 CO 0.00 -1.69 1.61 1.33 -3.72 0.00 0.00 177.10 174.63 1nwn n VAL 57 N 6.45 0.97 0.23 -5.21 0.24 -1.26 -2.39 118.33 117.36 1nwn n VAL 57 Ca 0.11 0.35 0.09 0.00 -2.04 0.00 0.00 64.34 62.85 1nwn n VAL 57 Cb 0.49 -1.27 0.53 0.00 -1.47 0.00 0.00 33.84 32.13 1nwn n VAL 57 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1nwn h SER 58 N 0.00 0.00 0.01 -1.34 4.64 -1.98 -2.49 113.55 112.40 1nwn h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nwn h SER 58 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1nwn h SER 58 CO 0.00 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.19 1nwn n GLN 59 N -3.70 0.05 0.00 4.77 1.13 -1.00 -4.90 117.38 113.73 1nwn n GLN 59 Ca -0.01 0.54 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1nwn n GLN 59 Cb 0.35 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1nwn n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nwn n GLY 60 N -1.40 3.56 0.33 1.08 0.00 -0.94 -2.51 105.19 105.30 1nwn n GLY 60 Ca -0.00 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1nwn n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nwn h MET 61 N 0.00 0.62 0.00 1.61 1.85 -1.91 -2.59 114.93 114.51 1nwn h MET 61 Ca 0.00 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.04 1nwn h MET 61 Cb 0.00 -0.14 -0.00 0.00 0.43 0.00 0.00 31.60 31.89 1nwn h MET 61 CO 0.00 0.41 -0.08 0.00 -0.40 0.00 0.00 176.91 176.84 1nwn h ALA 62 N 1.68 1.13 -1.55 0.39 0.00 -1.90 -3.41 119.26 115.61 1nwn h ALA 62 Ca 0.21 -0.07 -0.55 0.00 0.00 0.00 0.00 54.91 54.50 1nwn h ALA 62 Cb 0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1nwn h ALA 62 CO -0.05 0.10 1.02 1.21 0.00 0.00 0.00 179.25 181.52 1nwn s ASN 63 N -5.85 6.33 0.33 0.00 3.84 -0.98 -4.90 114.94 113.71 1nwn s ASN 63 Ca -0.02 0.07 0.01 0.00 0.21 0.00 0.00 52.86 53.13 1nwn s ASN 63 Cb 0.12 -2.55 0.57 0.00 -0.55 0.00 0.00 41.25 38.83 1nwn s ASN 63 CO 0.55 -1.59 1.97 -2.24 -2.79 0.00 0.00 177.10 173.00 1nwn h ASP 64 N 9.96 0.75 -0.71 -4.21 3.04 -1.87 -0.04 116.42 123.34 1nwn h ASP 64 Ca -0.26 -0.05 -0.03 0.00 -3.24 0.00 0.00 57.03 53.45 1nwn h ASP 64 Cb 1.06 -0.19 -0.03 0.00 -1.04 0.00 0.00 39.33 39.13 1nwn h ASP 64 CO 1.20 0.59 0.33 0.11 -2.04 0.00 0.00 179.24 179.43 1nwn h LYS 65 N 0.86 1.05 -0.31 4.15 1.57 -1.90 0.37 116.57 122.36 1nwn h LYS 65 Ca 0.22 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 1nwn h LYS 65 Cb -0.01 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 1nwn h LYS 65 CO -0.04 0.83 -0.46 1.25 -0.57 0.00 0.00 179.45 180.46 1nwn h LEU 66 N 1.04 0.93 -0.57 2.94 5.85 -1.52 -1.80 115.31 122.19 1nwn h LEU 66 Ca 0.25 -0.51 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 1nwn h LEU 66 Cb 0.14 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1nwn h LEU 66 CO -0.03 1.26 0.10 -0.09 -0.34 0.00 0.00 178.44 179.34 1nwn h ARG 67 N 0.63 0.93 -0.19 1.25 2.43 -0.49 0.54 114.38 119.48 1nwn h ARG 67 Ca 0.03 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 58.88 1nwn h ARG 67 Cb 1.06 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1nwn h ARG 67 CO 0.11 0.89 -0.22 0.78 -1.51 0.00 0.00 179.97 180.02 1nwn h GLY 68 N 0.83 0.36 1.06 2.80 0.00 -0.25 -2.07 103.07 105.80 1nwn h GLY 68 Ca 0.17 -0.27 -0.20 0.00 0.00 0.00 0.00 47.33 47.03 1nwn h GLY 68 CO 0.01 0.25 -0.73 0.84 0.00 0.00 0.00 176.54 176.90 1nwn h HIS 69 N 0.31 0.92 -0.50 5.60 -0.00 -0.98 -2.90 115.15 117.60 1nwn h HIS 69 Ca 0.05 -0.43 -0.10 0.00 -0.00 0.00 0.00 60.37 59.88 1nwn h HIS 69 Cb 0.56 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.82 1nwn h HIS 69 CO 0.01 1.25 -0.11 0.77 -0.00 0.00 0.00 177.93 179.86 1nwn h SER 70 N 0.33 0.92 -0.27 3.26 0.02 -0.74 -0.81 113.55 116.26 1nwn h SER 70 Ca -0.06 -0.29 -0.09 0.00 -0.84 0.00 0.00 61.79 60.51 1nwn h SER 70 Cb 1.38 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1nwn h SER 70 CO 0.15 1.03 -0.16 0.40 -1.14 0.00 0.00 176.83 177.11 1nwn h ILE 71 N 0.82 1.30 -0.60 3.27 2.04 -1.47 -2.74 117.51 120.14 1nwn h ILE 71 Ca 0.13 -1.28 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 1nwn h ILE 71 Cb 0.64 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1nwn h ILE 71 CO 0.04 0.40 0.27 0.74 0.00 0.00 0.00 178.15 179.60 1nwn h THR 72 N 0.33 1.20 -0.48 -0.27 2.02 -1.35 -2.48 112.91 111.88 1nwn h THR 72 Ca 0.06 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1nwn h THR 72 Cb 0.69 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1nwn h THR 72 CO 0.05 0.25 0.22 0.25 0.37 0.00 0.00 175.52 176.65 1nwn h LEU 73 N 0.85 0.63 -2.60 2.58 6.46 -1.04 -1.78 115.31 120.42 1nwn h LEU 73 Ca 0.21 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1nwn h LEU 73 Cb 0.12 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.89 1nwn h LEU 73 CO -0.02 0.60 0.08 0.24 -0.62 0.00 0.00 178.44 178.72 1nwn h MET 74 N 0.63 0.00 0.00 1.25 2.86 -1.14 0.21 114.93 118.73 1nwn h MET 74 Ca 0.16 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1nwn h MET 74 Cb 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1nwn h MET 74 CO -0.02 0.00 -0.58 1.88 1.06 0.00 0.00 176.91 179.25 1nwn h TYR 75 N 0.00 0.00 -0.31 -0.22 0.05 -1.17 -1.46 116.97 113.86 1nwn h TYR 75 Ca 0.02 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 1nwn h TYR 75 Cb 0.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1nwn h TYR 75 CO 0.00 0.35 -0.07 0.00 -1.05 0.00 0.00 178.16 177.39 1nwn h ALA 76 N 1.65 0.42 -0.33 3.88 0.00 -0.39 0.20 119.26 124.70 1nwn h ALA 76 Ca -0.03 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1nwn h ALA 76 Cb 1.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1nwn h ALA 76 CO 0.04 0.25 -0.13 -0.07 0.00 0.00 0.00 179.25 179.34 1nwn h LEU 77 N 0.36 0.57 -1.11 0.00 3.38 -1.40 -0.75 115.31 116.36 1nwn h LEU 77 Ca 0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1nwn h LEU 77 Cb 0.56 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1nwn h LEU 77 CO 0.03 0.73 0.19 -0.61 0.09 0.00 0.00 178.44 178.86 1nwn h GLN 78 N 0.53 0.82 -0.19 1.13 5.75 -0.68 -0.50 115.11 121.97 1nwn h GLN 78 Ca 0.09 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1nwn h GLN 78 Cb 0.53 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1nwn h GLN 78 CO 0.03 0.70 0.02 -0.97 -2.65 0.00 0.00 178.83 175.96 1nwn h ASN 79 N 0.81 0.32 -0.30 -0.69 -0.73 0.16 -2.07 115.58 113.08 1nwn h ASN 79 Ca 0.19 -0.28 -0.01 0.00 1.87 0.00 0.00 56.30 58.07 1nwn h ASN 79 Cb 0.21 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 1nwn h ASN 79 CO -0.01 0.51 0.15 -0.26 -0.37 0.00 0.00 177.43 177.45 1nwn h PHE 80 N 0.11 0.42 -0.83 0.67 0.04 -0.70 -2.34 116.94 114.30 1nwn h PHE 80 Ca 0.06 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.83 1nwn h PHE 80 Cb 0.34 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 1nwn h PHE 80 CO 0.02 0.37 0.55 0.82 -0.60 0.00 0.00 178.31 179.47 1nwn h ILE 81 N 0.35 1.18 0.00 -0.55 1.08 -1.07 -1.74 117.51 116.76 1nwn h ILE 81 Ca 0.10 -0.38 -0.03 0.00 -0.39 0.00 0.00 64.86 64.17 1nwn h ILE 81 Cb 0.10 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 33.83 1nwn h ILE 81 CO -0.01 0.20 -0.15 0.44 -0.69 0.00 0.00 178.15 177.93 1nwn h ASP 82 N 1.09 0.00 -0.26 1.72 3.32 -1.17 -3.01 116.42 118.12 1nwn h ASP 82 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1nwn h ASP 82 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1nwn h ASP 82 CO -0.09 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 1nwn n GLN 83 N -3.46 2.10 -0.30 3.56 1.13 -0.68 -4.57 117.38 115.16 1nwn n GLN 83 Ca -0.01 -1.66 0.06 0.00 -1.94 0.00 0.00 57.00 53.46 1nwn n GLN 83 Cb 0.32 -1.45 0.22 0.00 0.11 0.00 0.00 30.24 29.44 1nwn n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1nwn h LEU 84 N 3.33 0.62 -0.66 1.08 3.38 -1.35 -2.15 115.31 119.56 1nwn h LEU 84 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1nwn h LEU 84 Cb 0.73 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1nwn h LEU 84 CO 0.00 0.29 0.00 0.47 0.09 0.00 0.00 178.44 179.29 1nwn n ASP 85 N -4.81 0.71 -3.79 -0.43 8.00 -1.26 -4.27 116.55 110.71 1nwn n ASP 85 Ca 0.17 0.66 -0.30 0.00 0.71 0.00 0.00 54.79 56.03 1nwn n ASP 85 Cb 0.39 -0.82 -0.14 0.00 -0.02 0.00 0.00 41.12 40.53 1nwn n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1nwn s ASN 86 N -4.33 4.00 0.55 -2.24 3.84 -0.81 -4.98 114.94 110.97 1nwn s ASN 86 Ca 0.05 -2.30 0.29 0.00 0.21 0.00 0.00 52.86 51.10 1nwn s ASN 86 Cb 0.10 -1.14 1.45 0.00 -0.55 0.00 0.00 41.25 41.11 1nwn s ASN 86 CO 0.42 -0.33 1.94 -0.65 -2.79 0.00 0.00 177.10 175.69 1nwn h PRO 87 N 7.25 0.00 -0.35 0.43 0.11 -1.74 -1.18 132.00 136.52 1nwn h PRO 87 Ca -0.06 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.94 1nwn h PRO 87 Cb 0.96 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1nwn h PRO 87 CO 0.51 0.00 -0.25 -0.44 -0.21 0.00 0.00 178.00 177.61 1nwn h ASP 88 N 0.00 0.72 0.43 -2.05 3.32 -1.94 -0.47 116.42 116.43 1nwn h ASP 88 Ca 0.31 -0.26 -0.29 0.00 0.02 0.00 0.00 57.03 56.81 1nwn h ASP 88 Cb 1.32 -0.20 0.02 0.00 0.22 0.00 0.00 39.33 40.69 1nwn h ASP 88 CO -0.00 0.94 -1.28 0.44 -1.72 0.00 0.00 179.24 177.62 1nwn h ASP 89 N 0.61 0.62 -0.59 6.45 3.32 -1.57 -3.03 116.42 122.24 1nwn h ASP 89 Ca 0.08 -0.63 0.01 0.00 0.02 0.00 0.00 57.03 56.51 1nwn h ASP 89 Cb 0.74 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1nwn h ASP 89 CO 0.06 1.48 0.39 0.25 -1.72 0.00 0.00 179.24 179.70 1nwn h LEU 90 N 0.14 0.66 -0.89 1.55 5.85 -1.16 -2.34 115.31 119.13 1nwn h LEU 90 Ca -0.17 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1nwn h LEU 90 Cb 1.98 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.81 1nwn h LEU 90 CO 0.23 0.48 0.41 0.58 -0.34 0.00 0.00 178.44 179.80 1nwn h VAL 91 N 0.79 1.26 -0.11 1.05 2.07 -1.12 -0.97 116.25 119.22 1nwn h VAL 91 Ca 0.22 -0.72 -0.16 0.00 0.82 0.00 0.00 66.70 66.86 1nwn h VAL 91 Cb -0.07 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1nwn h VAL 91 CO -0.06 0.31 -0.62 0.00 0.02 0.00 0.00 177.57 177.23 1nwn h VAL 93 N 0.27 1.30 -0.55 0.00 -1.51 -1.29 -1.82 116.25 112.64 1nwn h VAL 93 Ca -0.01 -1.79 -0.04 0.00 -1.23 0.00 0.00 66.70 63.64 1nwn h VAL 93 Cb 1.15 1.72 -0.02 0.00 -2.13 0.00 0.00 31.29 32.01 1nwn h VAL 93 CO 0.10 0.57 0.21 0.58 -1.23 0.00 0.00 177.57 177.80 1nwn h VAL 94 N 0.55 1.23 -0.01 7.19 2.07 -1.07 -1.75 116.25 124.46 1nwn h VAL 94 Ca 0.01 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 1nwn h VAL 94 Cb 1.15 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1nwn h VAL 94 CO 0.12 0.27 -0.35 -0.33 0.02 0.00 0.00 177.57 177.30 1nwn h GLU 95 N 0.76 0.01 -0.05 1.57 5.08 -1.06 0.12 114.58 121.00 1nwn h GLU 95 Ca 0.18 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1nwn h GLU 95 Cb 0.22 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1nwn h GLU 95 CO -0.01 0.36 0.00 -0.22 -1.00 0.00 0.00 179.01 178.14 1nwn h LYS 96 N 0.01 0.09 0.00 2.33 3.11 -0.81 -2.52 116.57 118.78 1nwn h LYS 96 Ca -0.00 -0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.70 1nwn h LYS 96 Cb 0.62 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.83 1nwn h LYS 96 CO 0.05 0.37 -0.51 0.74 -2.81 0.00 0.00 179.45 177.29 1nwn h PHE 97 N -0.20 0.00 -0.87 1.91 0.04 -1.11 -2.82 116.94 113.90 1nwn h PHE 97 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1nwn h PHE 97 Cb 0.33 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 1nwn h PHE 97 CO 0.03 0.51 0.53 0.00 -0.60 0.00 0.00 178.31 178.79 1nwn h ALA 98 N 1.49 1.31 -0.41 2.45 0.00 -0.62 -1.73 119.26 121.75 1nwn h ALA 98 Ca -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1nwn h ALA 98 Cb 0.94 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1nwn h ALA 98 CO 0.07 0.60 0.10 0.28 0.00 0.00 0.00 179.25 180.30 1nwn h VAL 99 N 1.19 1.18 0.00 0.00 2.07 -1.19 0.11 116.25 119.62 1nwn h VAL 99 Ca 0.31 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1nwn h VAL 99 Cb -0.07 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1nwn h VAL 99 CO -0.06 0.24 -0.09 0.78 0.02 0.00 0.00 177.57 178.46 1nwn h ASN 100 N 0.59 0.00 0.26 0.57 -0.26 -1.29 -2.03 115.58 113.41 1nwn h ASN 100 Ca 0.14 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.54 1nwn h ASN 100 Cb 0.22 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.44 1nwn h ASN 100 CO -0.00 0.09 -1.98 1.41 -1.06 0.00 0.00 177.43 175.89 1nwn n HIS 101 N -4.12 0.83 -0.20 1.19 8.25 -0.59 -3.91 115.22 116.68 1nwn n HIS 101 Ca -0.03 0.24 -0.03 0.00 -0.26 0.00 0.00 57.72 57.64 1nwn n HIS 101 Cb 0.17 -1.13 0.15 0.00 1.12 0.00 0.00 29.99 30.30 1nwn n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1nwn h ILE 102 N 0.02 1.23 0.00 1.59 2.04 -0.85 -1.13 117.51 120.42 1nwn h ILE 102 Ca -0.40 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1nwn h ILE 102 Cb 2.05 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1nwn h ILE 102 CO 0.06 0.30 0.00 0.71 0.00 0.00 0.00 178.15 179.22 1nwn h THR 103 N 0.97 0.00 -0.63 -0.27 1.35 -1.53 -1.99 112.91 110.81 1nwn h THR 103 Ca 0.22 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1nwn h THR 103 Cb 0.21 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1nwn h THR 103 CO -0.02 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.79 1nwn n ARG 104 N -2.53 3.03 -3.49 4.72 3.00 -0.60 -4.96 116.66 115.83 1nwn n ARG 104 Ca 0.01 -2.63 -0.22 0.00 -0.01 0.00 0.00 57.85 55.01 1nwn n ARG 104 Cb 0.24 -1.61 0.07 0.00 0.00 0.00 0.00 32.46 31.16 1nwn n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1nwn n LYS 105 N 1.26 -7.20 -3.53 5.56 4.76 -0.75 -4.99 118.16 113.28 1nwn n LYS 105 Ca 0.23 0.75 -0.40 0.00 -2.87 0.00 0.00 58.31 56.01 1nwn n LYS 105 Cb 0.67 -5.56 -0.11 0.00 -1.84 0.00 0.00 35.03 28.20 1nwn n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nwn s ILE 106 N -3.29 5.28 0.81 -0.18 -1.09 -0.53 -5.03 121.20 117.17 1nwn s ILE 106 Ca 0.52 -0.24 -0.12 0.00 -2.23 0.00 0.00 60.65 58.59 1nwn s ILE 106 Cb -0.23 -3.72 0.08 0.00 -1.58 0.00 0.00 42.46 37.01 1nwn s ILE 106 CO 0.66 -0.02 1.16 -0.94 -1.23 0.00 0.00 174.94 174.56 1nwn s SER 107 N 1.72 4.47 0.25 3.58 1.04 -1.26 -4.47 113.70 119.03 1nwn s SER 107 Ca 0.06 0.88 -0.04 0.00 0.48 0.00 0.00 55.95 57.33 1nwn s SER 107 Cb -0.17 -1.44 0.30 0.00 0.10 0.00 0.00 66.02 64.80 1nwn s SER 107 CO 0.10 -1.94 1.84 0.00 0.98 0.00 0.00 173.24 174.23 1nwn h ALA 108 N -1.08 1.18 -0.33 5.32 0.00 -1.86 -0.92 119.26 121.57 1nwn h ALA 108 Ca -0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1nwn h ALA 108 Cb 1.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1nwn h ALA 108 CO 0.65 0.61 0.08 0.00 0.00 0.00 0.00 179.25 180.58 1nwn h ALA 109 N 1.30 0.44 -0.48 0.00 0.00 -1.95 -1.82 119.26 116.76 1nwn h ALA 109 Ca 0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1nwn h ALA 109 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1nwn h ALA 109 CO -0.03 0.11 0.05 0.93 0.00 0.00 0.00 179.25 180.31 1nwn h GLU 110 N 0.38 0.81 -0.55 0.00 5.08 -1.87 -2.38 114.58 116.05 1nwn h GLU 110 Ca 0.10 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1nwn h GLU 110 Cb 0.31 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1nwn h GLU 110 CO 0.00 0.83 0.37 0.35 -1.00 0.00 0.00 179.01 179.56 1nwn h PHE 111 N 0.67 0.53 0.00 4.33 3.57 -1.06 -0.70 116.94 124.28 1nwn h PHE 111 Ca 0.14 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1nwn h PHE 111 Cb 0.43 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1nwn h PHE 111 CO 0.03 0.29 0.00 0.41 -2.23 0.00 0.00 178.31 176.81 1nwn n GLY 112 N -1.49 -1.06 0.27 2.40 0.00 -0.69 -2.11 105.19 102.51 1nwn n GLY 112 Ca 0.07 0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.42 1nwn n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nwn h LYS 113 N 0.00 0.00 0.00 1.61 1.57 -1.13 -0.95 116.57 117.67 1nwn h LYS 113 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1nwn h LYS 113 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1nwn h LYS 113 CO 0.00 0.00 -0.03 0.97 -0.57 0.00 0.00 179.45 179.82 1nwn h ILE 114 N 0.00 0.09 -0.31 1.86 6.09 -1.62 -2.95 117.51 120.67 1nwn h ILE 114 Ca 0.00 -0.44 0.01 0.00 -1.37 0.00 0.00 64.86 63.06 1nwn h ILE 114 Cb 0.06 1.39 -0.02 0.00 0.47 0.00 0.00 36.82 38.73 1nwn h ILE 114 CO 0.00 0.03 0.20 0.78 -3.07 0.00 0.00 178.15 176.09 1nwn h ASN 115 N 0.00 0.33 0.77 2.19 -0.26 -1.41 -1.99 115.58 115.21 1nwn h ASN 115 Ca -0.00 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.69 1nwn h ASN 115 Cb 0.39 -0.08 0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1nwn h ASN 115 CO 0.00 0.23 -0.37 1.23 -1.06 0.00 0.00 177.43 177.47 1nwn h GLY 116 N 0.38 -1.08 0.57 2.83 0.00 -1.73 -1.90 103.07 102.15 1nwn h GLY 116 Ca 0.12 0.40 0.09 0.00 0.00 0.00 0.00 47.33 47.93 1nwn h GLY 116 CO -0.03 -0.39 0.49 -2.55 0.00 0.00 0.00 176.54 174.07 1nwn h PRO 117 N -1.14 0.82 -0.89 4.80 0.11 -1.68 -1.41 132.00 132.60 1nwn h PRO 117 Ca -0.11 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.98 1nwn h PRO 117 Cb 0.81 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.68 1nwn h PRO 117 CO 0.17 0.54 0.58 0.82 -0.21 0.00 0.00 178.00 179.91 1nwn h ILE 118 N 0.84 1.19 -0.75 4.15 2.04 -1.30 0.79 117.51 124.47 1nwn h ILE 118 Ca 0.40 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1nwn h ILE 118 Cb 0.32 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 1nwn h ILE 118 CO -0.23 0.21 0.41 0.50 0.00 0.00 0.00 178.15 179.05 1nwn h LYS 119 N 1.17 1.04 -0.05 2.37 3.64 -0.43 -0.73 116.57 123.58 1nwn h LYS 119 Ca 0.34 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1nwn h LYS 119 Cb -0.07 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.55 1nwn h LYS 119 CO -0.09 0.76 -0.32 0.87 -2.27 0.00 0.00 179.45 178.39 1nwn h LYS 120 N 1.05 0.30 -0.42 1.90 1.57 -0.79 -1.59 116.57 118.58 1nwn h LYS 120 Ca 0.27 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1nwn h LYS 120 Cb 0.02 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1nwn h LYS 120 CO -0.04 0.92 0.27 0.28 -0.57 0.00 0.00 179.45 180.30 1nwn h VAL 121 N -0.24 1.08 -0.94 0.50 2.07 -0.75 0.35 116.25 118.32 1nwn h VAL 121 Ca -0.03 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1nwn h VAL 121 Cb 1.00 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1nwn h VAL 121 CO 0.07 0.10 0.55 -0.07 0.02 0.00 0.00 177.57 178.23 1nwn h LEU 122 N 0.54 1.14 -0.39 2.57 3.38 -1.19 -2.86 115.31 118.50 1nwn h LEU 122 Ca 0.16 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1nwn h LEU 122 Cb -0.03 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1nwn h LEU 122 CO -0.06 0.89 0.18 0.00 0.09 0.00 0.00 178.44 179.54 1nwn h ALA 123 N 1.30 0.50 0.00 1.53 0.00 -0.34 -1.21 119.26 121.05 1nwn h ALA 123 Ca 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1nwn h ALA 123 Cb -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1nwn h ALA 123 CO -0.06 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1nwn n SER 124 N -4.69 0.00 -0.08 0.00 3.41 0.02 0.03 113.62 112.31 1nwn n SER 124 Ca -0.00 0.15 0.04 0.00 -0.26 0.00 0.00 58.87 58.80 1nwn n SER 124 Cb 0.12 -0.19 0.06 0.00 -0.26 0.00 0.00 64.21 63.94 1nwn n SER 124 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nwn n LYS 125 N -1.19 2.38 -3.12 4.33 4.76 -0.64 -5.00 118.16 119.68 1nwn n LYS 125 Ca 0.01 -1.95 -0.21 0.00 -2.87 0.00 0.00 58.31 53.30 1nwn n LYS 125 Cb 0.01 -1.22 0.05 0.00 -1.84 0.00 0.00 35.03 32.03 1nwn n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1nwn n ASN 126 N -0.79 -5.76 -4.31 4.39 5.03 0.10 -5.00 115.26 108.92 1nwn n ASN 126 Ca 0.07 -0.33 -0.37 0.00 0.87 0.00 0.00 54.58 54.82 1nwn n ASN 126 Cb 0.42 -4.52 -0.13 0.00 -1.02 0.00 0.00 39.78 34.53 1nwn n ASN 126 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1nwn s PHE 127 N -3.17 3.13 0.00 3.10 0.08 -0.55 -5.01 117.98 115.56 1nwn s PHE 127 Ca 0.36 -1.12 0.00 0.00 0.12 0.00 0.00 56.93 56.29 1nwn s PHE 127 Cb -0.16 -2.21 0.00 0.00 -0.57 0.00 0.00 43.02 40.08 1nwn s PHE 127 CO 0.44 -0.61 0.00 0.41 -0.10 0.00 0.00 175.22 175.36 1nwn n GLY 128 N 4.82 -2.02 0.35 4.36 0.00 -1.26 -3.63 105.19 107.81 1nwn n GLY 128 Ca -0.15 -1.42 0.04 0.00 0.00 0.00 0.00 46.02 44.49 1nwn n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nwn h ASP 129 N -0.05 0.74 -0.24 1.61 5.19 -1.98 -2.72 116.42 118.96 1nwn h ASP 129 Ca 0.00 -0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1nwn h ASP 129 Cb 0.00 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.31 1nwn h ASP 129 CO 0.00 0.49 -0.00 0.50 -3.12 0.00 0.00 179.24 177.11 1nwn h LYS 130 N 0.85 0.07 -0.65 3.56 3.64 -1.99 0.81 116.57 122.86 1nwn h LYS 130 Ca 0.30 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.61 1nwn h LYS 130 Cb 0.13 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1nwn h LYS 130 CO -0.09 0.04 0.14 1.88 -2.27 0.00 0.00 179.45 179.16 1nwn h TYR 131 N 0.07 1.07 -0.22 1.91 0.05 -1.84 -1.34 116.97 116.67 1nwn h TYR 131 Ca 0.11 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 1nwn h TYR 131 Cb 0.14 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 1nwn h TYR 131 CO -0.20 0.89 -0.07 0.00 -1.05 0.00 0.00 178.16 177.73 1nwn h ALA 132 N 1.18 1.46 -0.13 3.88 0.00 -1.09 -1.25 119.26 123.32 1nwn h ALA 132 Ca 0.20 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1nwn h ALA 132 Cb 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1nwn h ALA 132 CO 0.00 0.38 -0.69 -0.91 0.00 0.00 0.00 179.25 178.03 1nwn h ASN 133 N 0.33 0.64 -0.28 0.00 -0.26 -0.15 -2.19 115.58 113.68 1nwn h ASN 133 Ca 0.07 -0.40 -0.03 0.00 -0.56 0.00 0.00 56.30 55.38 1nwn h ASN 133 Cb 0.34 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1nwn h ASN 133 CO 0.02 1.15 0.07 0.00 -1.06 0.00 0.00 177.43 177.60 1nwn h ALA 134 N 0.85 0.37 0.00 -0.83 0.00 -0.75 -2.36 119.26 116.53 1nwn h ALA 134 Ca -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1nwn h ALA 134 Cb 1.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1nwn h ALA 134 CO 0.13 0.03 -0.12 -1.49 0.00 0.00 0.00 179.25 177.79 1nwn h TRP 135 N 0.28 0.00 0.00 0.00 4.06 -1.19 -1.05 115.95 118.05 1nwn h TRP 135 Ca 0.09 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.94 1nwn h TRP 135 Cb 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 1nwn h TRP 135 CO 0.01 0.12 -0.49 0.00 -3.56 0.00 0.00 178.44 174.53 1nwn h ALA 136 N 1.88 1.18 -0.11 1.49 0.00 -0.89 -1.73 119.26 121.07 1nwn h ALA 136 Ca -0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 1nwn h ALA 136 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nwn h ALA 136 CO 0.02 0.61 -0.54 0.87 0.00 0.00 0.00 179.25 180.21 1nwn h LYS 137 N 0.00 0.33 -0.12 0.00 1.57 -0.75 -0.68 116.57 116.92 1nwn h LYS 137 Ca -0.00 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 1nwn h LYS 137 Cb 0.87 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1nwn h LYS 137 CO 0.06 0.78 -0.41 1.25 -0.57 0.00 0.00 179.45 180.57 1nwn h LEU 138 N 0.26 0.56 -2.11 2.94 5.85 -1.23 -2.73 115.31 118.84 1nwn h LEU 138 Ca 0.01 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1nwn h LEU 138 Cb 1.03 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1nwn h LEU 138 CO 0.09 1.08 0.01 0.58 -0.34 0.00 0.00 178.44 179.86 1nwn h VAL 139 N 0.08 0.88 -0.03 1.05 2.07 -1.22 -0.70 116.25 118.38 1nwn h VAL 139 Ca -0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1nwn h VAL 139 Cb 1.04 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1nwn h VAL 139 CO 0.09 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.32 1nwn h ALA 140 N 1.99 1.35 -0.51 1.67 0.00 -0.82 -1.22 119.26 121.73 1nwn h ALA 140 Ca 0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1nwn h ALA 140 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1nwn h ALA 140 CO -0.00 0.48 -0.12 0.28 0.00 0.00 0.00 179.25 179.89 1nwn h VAL 141 N 0.05 1.27 -0.44 0.00 2.07 -0.96 -0.82 116.25 117.41 1nwn h VAL 141 Ca 0.00 -1.25 -0.14 0.00 0.82 0.00 0.00 66.70 66.13 1nwn h VAL 141 Cb 0.66 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1nwn h VAL 141 CO 0.05 0.44 -0.26 0.58 0.02 0.00 0.00 177.57 178.39 1nwn h VAL 142 N 0.85 1.27 -0.26 2.57 2.07 -1.36 -2.85 116.25 118.54 1nwn h VAL 142 Ca 0.13 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 1nwn h VAL 142 Cb 0.66 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1nwn h VAL 142 CO 0.05 0.49 0.05 1.56 0.02 0.00 0.00 177.57 179.73 1nwn h GLN 143 N 0.80 0.38 0.00 1.57 4.20 -0.81 -0.99 115.11 120.26 1nwn h GLN 143 Ca 0.09 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1nwn h GLN 143 Cb 0.84 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1nwn h GLN 143 CO 0.07 0.37 0.00 0.00 -0.67 0.00 0.00 178.83 178.61 1nwn h ALA 144 N 1.68 1.00 0.00 3.87 0.00 -0.91 -2.21 119.26 122.68 1nwn h ALA 144 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nwn h ALA 144 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1nwn h ALA 144 CO -0.00 0.00 -1.17 0.00 0.00 0.00 0.00 179.25 178.07 1nwn n ALA 145 N -2.00 3.50 1.53 0.00 0.00 -0.39 -4.38 120.51 118.77 1nwn n ALA 145 Ca -0.01 -0.45 0.14 0.00 0.00 0.00 0.00 53.44 53.12 1nwn n ALA 145 Cb 0.15 -0.91 0.55 0.00 0.00 0.00 0.00 19.45 19.24 1nwn n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78