#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 0.94 -0.55 -3.33 2.07 -1.88 0.46 116.25 113.96 1nwn h VAL 3 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1nwn h VAL 3 Cb 0.00 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1nwn h VAL 3 CO 0.00 0.00 -0.07 1.88 0.02 0.00 0.00 177.57 179.40 1nwn h TYR 4 N 0.00 1.10 -0.02 1.57 0.05 -1.96 0.40 116.97 118.12 1nwn h TYR 4 Ca 0.04 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.60 1nwn h TYR 4 Cb 0.16 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.61 1nwn h TYR 4 CO 0.00 1.01 -0.03 -0.44 -1.05 0.00 0.00 178.16 177.65 1nwn h ASP 5 N 0.90 0.06 -0.63 3.88 3.32 -1.42 -2.51 116.42 120.03 1nwn h ASP 5 Ca 0.15 -0.54 0.08 0.00 0.02 0.00 0.00 57.03 56.74 1nwn h ASP 5 Cb 0.62 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.08 1nwn h ASP 5 CO 0.04 0.59 0.29 0.00 -1.72 0.00 0.00 179.24 178.44 1nwn h ALA 6 N 0.47 0.84 -0.64 3.45 0.00 -1.04 -0.34 119.26 122.00 1nwn h ALA 6 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1nwn h ALA 6 Cb 0.58 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1nwn h ALA 6 CO 0.01 -0.10 0.42 0.00 0.00 0.00 0.00 179.25 179.58 1nwn h ALA 7 N 1.39 1.57 0.00 0.00 0.00 -0.94 -0.42 119.26 120.86 1nwn h ALA 7 Ca 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nwn h ALA 7 Cb 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nwn h ALA 7 CO -0.26 0.39 -0.01 0.00 0.00 0.00 0.00 179.25 179.37 1nwn h ALA 8 N 1.61 1.01 0.00 0.00 0.00 -0.60 -2.81 119.26 118.48 1nwn h ALA 8 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1nwn h ALA 8 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1nwn h ALA 8 CO -0.06 0.02 0.00 0.94 0.00 0.00 0.00 179.25 180.15 1nwn n GLN 9 N -3.12 0.58 -2.86 0.00 7.27 -0.17 -4.50 117.38 114.58 1nwn n GLN 9 Ca -0.01 0.03 -0.43 0.00 0.07 0.00 0.00 57.00 56.66 1nwn n GLN 9 Cb 0.24 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.36 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 -2.17 4.75 0.94 1.69 1.43 -1.06 -5.00 118.68 119.26 1nwn s LEU 10 Ca 0.30 -1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 51.36 1nwn s LEU 10 Cb 0.15 -2.43 0.15 0.00 0.03 0.00 0.00 46.19 44.09 1nwn s LEU 10 CO 0.28 -1.15 1.11 0.42 0.23 0.00 0.00 176.35 177.24 1nwn s THR 11 N 3.14 2.18 0.36 5.49 -4.23 -1.26 -4.70 115.64 116.62 1nwn s THR 11 Ca 0.35 0.06 0.11 0.00 -1.18 0.00 0.00 61.69 61.03 1nwn s THR 11 Cb -0.04 -2.67 0.34 0.00 1.34 0.00 0.00 72.50 71.46 1nwn s THR 11 CO -0.09 -0.08 1.84 0.00 -0.54 0.00 0.00 174.62 175.74 1nwn h ALA 12 N -1.65 1.90 -0.26 3.99 0.00 -1.98 0.02 119.26 121.29 1nwn h ALA 12 Ca -0.52 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 1nwn h ALA 12 Cb 1.32 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nwn h ALA 12 CO 0.59 -0.20 -0.21 -0.44 0.00 0.00 0.00 179.25 178.99 1nwn h ASP 13 N 0.63 0.63 -0.50 0.00 3.32 -1.99 -1.39 116.42 117.11 1nwn h ASP 13 Ca 0.50 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1nwn h ASP 13 Cb 0.92 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1nwn h ASP 13 CO -0.25 0.95 0.16 0.58 -1.72 0.00 0.00 179.24 178.96 1nwn h VAL 14 N 0.31 1.23 -0.78 -1.35 2.07 -1.65 -1.64 116.25 114.46 1nwn h VAL 14 Ca 0.05 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1nwn h VAL 14 Cb 0.76 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1nwn h VAL 14 CO 0.05 0.28 0.51 0.11 0.02 0.00 0.00 177.57 178.55 1nwn h LYS 15 N 0.68 1.02 -0.59 1.57 1.57 -0.98 -0.35 116.57 119.49 1nwn h LYS 15 Ca 0.16 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1nwn h LYS 15 Cb 0.28 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1nwn h LYS 15 CO -0.00 0.68 0.28 -0.22 -0.57 0.00 0.00 179.45 179.62 1nwn h LYS 16 N 1.05 0.85 -0.40 3.15 1.63 -0.93 -0.23 116.57 121.69 1nwn h LYS 16 Ca 0.28 -0.13 -0.10 0.00 -0.85 0.00 0.00 60.65 59.85 1nwn h LYS 16 Cb -0.12 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.34 1nwn h LYS 16 CO -0.06 0.69 -0.17 -0.44 -3.45 0.00 0.00 179.45 176.02 1nwn h ASP 17 N 0.80 0.77 -0.43 4.20 3.32 -0.82 -0.11 116.42 124.15 1nwn h ASP 17 Ca 0.20 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1nwn h ASP 17 Cb 0.12 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1nwn h ASP 17 CO -0.03 0.94 0.09 -0.07 -1.72 0.00 0.00 179.24 178.45 1nwn h LEU 18 N 0.68 0.66 0.03 1.55 3.38 -0.77 -1.95 115.31 118.89 1nwn h LEU 18 Ca 0.10 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1nwn h LEU 18 Cb 0.67 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1nwn h LEU 18 CO 0.05 0.74 -0.01 0.03 0.09 0.00 0.00 178.44 179.33 1nwn h ARG 19 N 0.56 -0.03 -0.42 1.13 3.08 -0.78 -1.22 114.38 116.69 1nwn h ARG 19 Ca 0.13 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.23 1nwn h ARG 19 Cb 0.34 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1nwn h ARG 19 CO 0.00 0.26 0.17 -0.44 -1.07 0.00 0.00 179.97 178.90 1nwn h ASP 20 N -0.33 0.21 0.02 7.04 3.32 -1.02 -1.76 116.42 123.90 1nwn h ASP 20 Ca -0.00 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 1nwn h ASP 20 Cb 0.31 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1nwn h ASP 20 CO 0.01 0.16 -0.34 0.77 -1.72 0.00 0.00 179.24 178.11 1nwn h SER 21 N 0.35 0.46 0.26 6.45 4.64 -1.38 -2.61 113.55 121.73 1nwn h SER 21 Ca 0.19 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1nwn h SER 21 Cb 0.15 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1nwn h SER 21 CO -0.18 0.78 -0.14 -0.25 -0.87 0.00 0.00 176.83 176.17 1nwn h TRP 22 N 0.38 0.00 -0.42 4.77 2.91 -0.55 -1.04 115.95 122.00 1nwn h TRP 22 Ca 0.04 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.08 1nwn h TRP 22 Cb 0.78 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.41 1nwn h TRP 22 CO 0.02 0.14 0.28 0.87 -1.03 0.00 0.00 178.44 178.72 1nwn h LYS 23 N 0.00 0.53 0.00 2.65 1.79 -0.93 0.11 116.57 120.71 1nwn h LYS 23 Ca -0.00 -0.03 -0.26 0.00 -2.18 0.00 0.00 60.65 58.18 1nwn h LYS 23 Cb 0.30 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.80 1nwn h LYS 23 CO 0.02 0.35 -1.44 0.28 -1.08 0.00 0.00 179.45 177.58 1nwn n VAL 24 N -4.48 1.53 -0.07 0.50 0.31 -0.64 -3.85 118.33 111.63 1nwn n VAL 24 Ca 0.04 -0.07 -0.07 0.00 -0.01 0.00 0.00 64.34 64.23 1nwn n VAL 24 Cb 0.08 -2.04 0.12 0.00 -0.91 0.00 0.00 33.84 31.09 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 1.27 0.00 2.52 5.03 -1.23 -2.87 117.51 121.24 1nwn h ILE 25 Ca -0.39 -1.28 0.00 0.00 -0.12 0.00 0.00 64.86 63.07 1nwn h ILE 25 Cb 1.31 1.19 0.00 0.00 -3.03 0.00 0.00 36.82 36.29 1nwn h ILE 25 CO -0.23 0.43 0.00 0.61 -0.68 0.00 0.00 178.15 178.27 1nwn n GLY 26 N -0.31 -1.39 0.00 5.37 0.00 0.37 -3.14 105.19 106.09 1nwn n GLY 26 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.29 0.00 -2.92 1.61 3.41 -1.08 -3.72 113.62 108.64 1nwn n SER 27 Ca 0.03 -1.37 -0.14 0.00 -0.26 0.00 0.00 58.87 57.13 1nwn n SER 27 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.72 -1.84 -0.13 4.04 2.03 -1.19 -5.01 116.55 113.73 1nwn n ASP 28 Ca 0.09 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.35 1nwn n ASP 28 Cb 0.04 0.94 0.28 0.00 -0.72 0.00 0.00 41.12 41.66 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 4.10 0.81 0.17 -0.67 1.57 -1.75 -0.48 116.57 120.32 1nwn h LYS 29 Ca -0.05 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1nwn h LYS 29 Cb 0.98 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1nwn h LYS 29 CO 0.36 0.60 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.54 1nwn h LYS 30 N 0.82 -0.22 0.41 3.15 3.64 -1.92 -0.89 116.57 121.56 1nwn h LYS 30 Ca 0.21 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1nwn h LYS 30 Cb 0.03 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1nwn h LYS 30 CO -0.03 0.12 -0.20 0.78 -2.27 0.00 0.00 179.45 177.85 1nwn h GLY 31 N -0.60 -0.58 1.93 5.01 0.00 -1.95 -2.32 103.07 104.56 1nwn h GLY 31 Ca -0.02 0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.43 1nwn h GLY 31 CO 0.04 -0.21 -0.41 3.43 0.00 0.00 0.00 176.54 179.39 1nwn h ASN 32 N -0.78 0.09 -0.21 0.19 2.35 -1.21 -1.46 115.58 114.54 1nwn h ASN 32 Ca -0.06 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1nwn h ASN 32 Cb 0.53 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1nwn h ASN 32 CO 0.09 0.49 0.01 1.23 -1.65 0.00 0.00 177.43 177.60 1nwn h GLY 33 N 1.25 0.40 1.86 2.83 0.00 -1.18 -0.80 103.07 107.43 1nwn h GLY 33 Ca 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1nwn h GLY 33 CO 0.06 0.27 -0.32 -2.08 0.00 0.00 0.00 176.54 174.47 1nwn h VAL 34 N 0.14 1.26 -0.30 4.60 2.07 -1.29 -2.38 116.25 120.35 1nwn h VAL 34 Ca 0.06 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 1nwn h VAL 34 Cb 0.38 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1nwn h VAL 34 CO 0.01 0.37 0.02 0.00 0.02 0.00 0.00 177.57 177.99 1nwn h ALA 35 N 1.53 0.40 -0.97 1.67 0.00 -0.97 0.22 119.26 121.13 1nwn h ALA 35 Ca 0.02 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1nwn h ALA 35 Cb 0.64 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1nwn h ALA 35 CO 0.05 0.12 0.63 -0.07 0.00 0.00 0.00 179.25 179.97 1nwn h LEU 36 N 0.32 1.02 0.07 0.00 3.38 -0.87 -0.69 115.31 118.53 1nwn h LEU 36 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1nwn h LEU 36 Cb 0.39 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nwn h LEU 36 CO 0.01 0.67 -0.03 0.24 0.09 0.00 0.00 178.44 179.41 1nwn h MET 37 N 1.16 -0.08 0.00 1.13 2.86 -1.13 -1.84 114.93 117.02 1nwn h MET 37 Ca 0.41 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.03 1nwn h MET 37 Cb 0.11 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1nwn h MET 37 CO -0.16 0.45 -0.12 1.79 1.06 0.00 0.00 176.91 179.94 1nwn h THR 38 N -0.69 0.76 -0.02 2.22 1.35 -0.86 -0.73 112.91 114.95 1nwn h THR 38 Ca -0.01 -0.45 -0.21 0.00 -0.55 0.00 0.00 66.41 65.19 1nwn h THR 38 Cb 0.57 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1nwn h THR 38 CO 0.01 0.11 -0.88 0.74 -0.25 0.00 0.00 175.52 175.26 1nwn h THR 39 N 0.00 1.42 -0.48 6.82 2.02 -1.14 -1.39 112.91 120.16 1nwn h THR 39 Ca -0.00 -2.41 -0.02 0.00 0.77 0.00 0.00 66.41 64.74 1nwn h THR 39 Cb 0.26 2.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 1nwn h THR 39 CO 0.02 0.72 0.22 0.25 0.37 0.00 0.00 175.52 177.09 1nwn h LEU 40 N 0.21 0.64 -0.63 2.58 5.85 -0.29 -1.64 115.31 122.03 1nwn h LEU 40 Ca -0.06 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.38 1nwn h LEU 40 Cb 1.50 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1nwn h LEU 40 CO 0.15 0.60 -0.51 -0.26 -0.34 0.00 0.00 178.44 178.08 1nwn h PHE 41 N 0.63 0.58 -0.27 1.25 0.04 -1.23 -0.14 116.94 117.80 1nwn h PHE 41 Ca 0.16 -0.19 -0.14 0.00 2.80 0.00 0.00 57.97 60.60 1nwn h PHE 41 Cb 0.14 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1nwn h PHE 41 CO -0.00 0.88 -0.40 0.00 -0.60 0.00 0.00 178.31 178.19 1nwn h ALA 42 N 1.08 0.79 0.00 2.45 0.00 -1.03 -3.15 119.26 119.40 1nwn h ALA 42 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1nwn h ALA 42 Cb 1.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1nwn h ALA 42 CO 0.09 0.65 -1.17 -0.25 0.00 0.00 0.00 179.25 178.57 1nwn n ASP 43 N -4.03 0.58 -3.23 0.00 8.00 -0.64 -4.62 116.55 112.61 1nwn n ASP 43 Ca -0.02 -0.27 -0.25 0.00 0.71 0.00 0.00 54.79 54.97 1nwn n ASP 43 Cb 0.52 1.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.55 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 -1.97 0.25 0.29 -2.24 4.13 -0.07 -4.96 115.26 110.69 1nwn n ASN 44 Ca 0.01 -2.68 0.18 0.00 1.68 0.00 0.00 54.58 53.77 1nwn n ASN 44 Cb 0.45 -0.63 0.98 0.00 -1.54 0.00 0.00 39.78 39.04 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 4.24 0.00 0.00 3.52 7.50 -1.76 -1.02 115.11 127.58 1nwn h GLN 45 Ca 0.10 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.25 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 0.46 0.00 0.00 -0.85 -1.50 0.00 0.00 178.83 176.94 1nwn n GLU 46 N -3.48 0.09 0.04 1.46 0.00 -1.26 -2.59 120.64 114.90 1nwn n GLU 46 Ca -0.02 0.35 0.12 0.00 0.00 0.00 0.00 57.16 57.61 1nwn n GLU 46 Cb 0.18 -1.68 0.14 0.00 0.00 0.00 0.00 31.44 30.08 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 -1.85 0.25 -0.36 3.84 -2.24 -0.39 -4.29 114.28 109.24 1nwn n THR 47 Ca 0.03 -0.22 0.04 0.00 -2.27 0.00 0.00 64.05 61.62 1nwn n THR 47 Cb 0.18 0.03 0.20 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.05 -0.02 2.28 2.04 -1.65 -2.48 117.51 118.72 1nwn h ILE 48 Ca 0.00 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1nwn h ILE 48 Cb 0.70 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1nwn h ILE 48 CO 0.00 0.20 0.13 1.23 0.00 0.00 0.00 178.15 179.72 1nwn h GLY 49 N 1.11 0.00 2.00 5.37 0.00 -1.80 -0.94 103.07 108.82 1nwn h GLY 49 Ca 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.68 1nwn h GLY 49 CO -0.19 0.00 -0.43 -0.97 0.00 0.00 0.00 176.54 174.95 1nwn h TYR 50 N 0.00 0.00 -0.86 5.60 0.05 -1.74 -3.29 116.97 116.73 1nwn h TYR 50 Ca 0.01 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.33 1nwn h TYR 50 Cb 0.27 0.00 -0.26 0.00 1.01 0.00 0.00 36.73 37.75 1nwn h TYR 50 CO 0.00 0.43 0.58 1.19 -1.05 0.00 0.00 178.16 179.31 1nwn n PHE 51 N -3.41 2.65 -0.33 4.88 3.72 -0.36 -4.64 117.46 119.98 1nwn n PHE 51 Ca 0.01 -1.76 0.15 0.00 -0.05 0.00 0.00 57.45 55.79 1nwn n PHE 51 Cb 0.59 -0.90 0.37 0.00 -0.94 0.00 0.00 39.48 38.61 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 0.96 0.65 -0.29 -1.08 3.64 -1.69 -1.61 116.57 117.14 1nwn h LYS 52 Ca 0.55 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.87 1nwn h LYS 52 Cb 2.44 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 34.09 1nwn h LYS 52 CO 0.99 0.43 0.13 -0.09 -2.27 0.00 0.00 179.45 178.64 1nwn h ARG 53 N 0.67 0.40 0.00 1.90 2.43 -1.92 -2.51 114.38 115.34 1nwn h ARG 53 Ca 0.57 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 1nwn h ARG 53 Cb 1.01 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1nwn h ARG 53 CO -0.34 0.33 0.00 1.28 -1.51 0.00 0.00 179.97 179.73 1nwn n LEU 54 N -4.43 0.00 0.00 3.80 4.77 -0.61 -4.99 117.00 115.55 1nwn n LEU 54 Ca 0.01 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1nwn n LEU 54 Cb 0.12 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 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 0.33 1.03 3.54 -0.72 0.00 -0.95 -4.42 105.19 104.00 1nwn n GLY 55 Ca 0.15 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 6.26 0.29 1.61 2.47 -1.26 -4.85 114.94 115.47 1nwn s ASN 56 Ca 0.00 -0.82 0.24 0.00 0.42 0.00 0.00 52.86 52.70 1nwn s ASN 56 Cb 0.00 -2.54 1.06 0.00 -1.45 0.00 0.00 41.25 38.32 1nwn s ASN 56 CO 0.00 -1.69 1.72 -0.37 -3.72 0.00 0.00 177.10 173.05 1nwn h VAL 57 N 6.21 0.00 0.00 -5.21 -1.51 -1.93 -2.72 116.25 111.10 1nwn h VAL 57 Ca -0.14 -0.20 -0.04 0.00 -1.23 0.00 0.00 66.70 65.10 1nwn h VAL 57 Cb 1.04 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1nwn h VAL 57 CO 1.30 0.00 -0.17 0.77 -1.23 0.00 0.00 177.57 178.24 1nwn h SER 58 N 0.00 0.00 0.07 4.19 4.64 -1.98 -2.40 113.55 118.07 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 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1nwn h SER 58 CO 0.00 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.13 1nwn n GLN 59 N -3.69 0.03 0.00 4.77 1.13 -1.02 -4.90 117.38 113.69 1nwn n GLN 59 Ca -0.02 0.50 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 1nwn n GLN 59 Cb 0.29 -1.60 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 -1.27 3.45 0.33 1.08 0.00 -0.91 -2.45 105.19 105.43 1nwn n GLY 60 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.59 0.00 1.61 1.85 -1.91 -2.54 114.93 114.53 1nwn h MET 61 Ca 0.00 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.03 1nwn h MET 61 Cb 0.00 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 31.89 1nwn h MET 61 CO 0.00 0.39 -0.10 0.00 -0.40 0.00 0.00 176.91 176.80 1nwn h ALA 62 N 1.68 1.18 -1.53 0.39 0.00 -1.89 -3.41 119.26 115.69 1nwn h ALA 62 Ca 0.23 -0.10 -0.55 0.00 0.00 0.00 0.00 54.91 54.50 1nwn h ALA 62 Cb 0.16 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1nwn h ALA 62 CO -0.06 0.13 1.04 1.21 0.00 0.00 0.00 179.25 181.57 1nwn s ASN 63 N -6.00 6.27 0.30 0.00 3.84 -0.96 -4.90 114.94 113.49 1nwn s ASN 63 Ca -0.02 0.03 -0.01 0.00 0.21 0.00 0.00 52.86 53.07 1nwn s ASN 63 Cb 0.12 -2.55 0.48 0.00 -0.55 0.00 0.00 41.25 38.75 1nwn s ASN 63 CO 0.57 -1.65 1.93 0.44 -2.79 0.00 0.00 177.10 175.60 1nwn h ASP 64 N 10.18 0.94 -0.90 -4.21 5.19 -1.87 -0.18 116.42 125.58 1nwn h ASP 64 Ca -0.26 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 1nwn h ASP 64 Cb 1.07 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 40.32 1nwn h ASP 64 CO 1.21 0.63 0.52 0.11 -3.12 0.00 0.00 179.24 178.59 1nwn h LYS 65 N 1.08 1.23 -0.37 3.56 1.57 -1.90 0.35 116.57 122.09 1nwn h LYS 65 Ca 0.37 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.88 1nwn h LYS 65 Cb 0.09 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1nwn h LYS 65 CO -0.12 0.88 -0.32 1.25 -0.57 0.00 0.00 179.45 180.57 1nwn h LEU 66 N 1.24 0.91 -0.65 2.94 5.85 -1.52 -1.75 115.31 122.33 1nwn h LEU 66 Ca 0.32 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 1nwn h LEU 66 Cb -0.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1nwn h LEU 66 CO -0.06 1.18 0.13 -0.09 -0.34 0.00 0.00 178.44 179.26 1nwn h ARG 67 N 0.66 1.06 -0.15 1.25 2.43 -0.55 0.47 114.38 119.54 1nwn h ARG 67 Ca 0.06 -0.27 -0.09 0.00 -0.81 0.00 0.00 59.98 58.87 1nwn h ARG 67 Cb 0.90 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1nwn h ARG 67 CO 0.08 0.97 -0.31 0.78 -1.51 0.00 0.00 179.97 179.98 1nwn h GLY 68 N 0.98 0.33 0.92 2.80 0.00 -0.25 -2.07 103.07 105.78 1nwn h GLY 68 Ca 0.20 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.10 1nwn h GLY 68 CO 0.01 0.25 -0.54 0.84 0.00 0.00 0.00 176.54 177.10 1nwn h HIS 69 N 0.27 0.76 -0.63 5.60 -0.00 -0.99 -2.91 115.15 117.25 1nwn h HIS 69 Ca 0.04 -0.33 -0.09 0.00 -0.00 0.00 0.00 60.37 59.98 1nwn h HIS 69 Cb 0.69 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 1nwn h HIS 69 CO 0.01 1.12 0.03 0.77 -0.00 0.00 0.00 177.93 179.86 1nwn h SER 70 N 0.19 1.07 -0.40 3.26 0.02 -0.77 -0.66 113.55 116.26 1nwn h SER 70 Ca -0.03 -0.29 -0.10 0.00 -0.84 0.00 0.00 61.79 60.53 1nwn h SER 70 Cb 1.18 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1nwn h SER 70 CO 0.11 1.09 -0.13 0.40 -1.14 0.00 0.00 176.83 177.16 1nwn h ILE 71 N 1.00 1.28 -0.54 3.27 2.04 -1.47 -2.69 117.51 120.40 1nwn h ILE 71 Ca 0.18 -1.24 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 1nwn h ILE 71 Cb 0.53 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1nwn h ILE 71 CO 0.03 0.42 0.11 0.74 0.00 0.00 0.00 178.15 179.44 1nwn h THR 72 N 0.60 1.23 -0.53 -0.27 2.02 -1.34 -2.50 112.91 112.12 1nwn h THR 72 Ca 0.10 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1nwn h THR 72 Cb 0.67 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1nwn h THR 72 CO 0.05 0.32 0.28 0.25 0.37 0.00 0.00 175.52 176.79 1nwn h LEU 73 N 0.81 0.66 -2.74 2.58 6.46 -1.00 -1.39 115.31 120.69 1nwn h LEU 73 Ca 0.17 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1nwn h LEU 73 Cb 0.33 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1nwn h LEU 73 CO 0.00 0.57 0.06 0.24 -0.62 0.00 0.00 178.44 178.70 1nwn h MET 74 N 0.70 0.00 0.00 1.25 2.86 -1.11 0.17 114.93 118.80 1nwn h MET 74 Ca 0.18 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 1nwn h MET 74 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1nwn h MET 74 CO -0.03 0.00 -0.68 1.88 1.06 0.00 0.00 176.91 179.14 1nwn h TYR 75 N 0.00 0.00 -0.19 -0.22 0.05 -1.10 -1.83 116.97 113.68 1nwn h TYR 75 Ca 0.01 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1nwn h TYR 75 Cb 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1nwn h TYR 75 CO 0.00 0.32 -0.03 0.00 -1.05 0.00 0.00 178.16 177.41 1nwn h ALA 76 N 1.68 0.26 -0.54 3.88 0.00 -0.45 0.16 119.26 124.25 1nwn h ALA 76 Ca -0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1nwn h ALA 76 Cb 1.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1nwn h ALA 76 CO 0.04 0.01 0.13 -0.07 0.00 0.00 0.00 179.25 179.36 1nwn h LEU 77 N 0.09 0.77 -1.21 0.00 3.38 -1.46 -0.56 115.31 116.31 1nwn h LEU 77 Ca 0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1nwn h LEU 77 Cb 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1nwn h LEU 77 CO 0.02 0.75 0.32 -0.61 0.09 0.00 0.00 178.44 179.01 1nwn h GLN 78 N 0.80 0.86 -0.08 1.13 5.75 -0.87 -0.62 115.11 122.08 1nwn h GLN 78 Ca 0.18 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1nwn h GLN 78 Cb 0.29 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 1nwn h GLN 78 CO -0.00 0.65 0.00 -0.97 -2.65 0.00 0.00 178.83 175.86 1nwn h ASN 79 N 0.87 0.13 -0.21 -0.69 -0.73 0.20 -2.02 115.58 113.12 1nwn h ASN 79 Ca 0.22 -0.29 0.00 0.00 1.87 0.00 0.00 56.30 58.10 1nwn h ASN 79 Cb 0.06 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 1nwn h ASN 79 CO -0.03 0.39 0.14 -0.26 -0.37 0.00 0.00 177.43 177.30 1nwn h PHE 80 N -0.13 0.27 -0.84 0.67 0.04 -0.70 -2.16 116.94 114.08 1nwn h PHE 80 Ca 0.02 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.83 1nwn h PHE 80 Cb 0.32 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.33 1nwn h PHE 80 CO 0.03 0.17 0.54 0.82 -0.60 0.00 0.00 178.31 179.26 1nwn h ILE 81 N 0.28 1.13 0.00 -0.55 1.08 -1.11 -1.64 117.51 116.72 1nwn h ILE 81 Ca 0.08 -0.36 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 1nwn h ILE 81 Cb -0.03 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 33.71 1nwn h ILE 81 CO -0.02 0.19 -0.09 0.44 -0.69 0.00 0.00 178.15 177.99 1nwn h ASP 82 N 1.05 0.00 -0.36 1.72 3.32 -1.01 -2.99 116.42 118.15 1nwn h ASP 82 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1nwn h ASP 82 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1nwn h ASP 82 CO -0.11 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 1nwn n GLN 83 N -3.28 2.29 -0.32 3.56 1.13 -0.64 -4.57 117.38 115.55 1nwn n GLN 83 Ca -0.00 -1.95 0.05 0.00 -1.94 0.00 0.00 57.00 53.15 1nwn n GLN 83 Cb 0.30 -1.48 0.20 0.00 0.11 0.00 0.00 30.24 29.38 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 3.76 0.79 -0.71 1.08 3.38 -1.34 -2.27 115.31 120.00 1nwn h LEU 84 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nwn h LEU 84 Cb 0.83 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1nwn h LEU 84 CO 0.00 0.43 0.00 -2.24 0.09 0.00 0.00 178.44 176.72 1nwn h ASP 85 N 0.88 0.00 -3.55 -0.43 3.04 -1.85 -3.38 116.42 111.14 1nwn h ASP 85 Ca 0.45 0.00 -0.62 0.00 -3.24 0.00 0.00 57.03 53.62 1nwn h ASP 85 Cb 0.43 0.00 -0.40 0.00 -1.04 0.00 0.00 39.33 38.32 1nwn h ASP 85 CO -0.26 0.00 -0.73 0.21 -2.04 0.00 0.00 179.24 176.42 1nwn s ASN 86 N -4.41 4.11 0.56 4.15 3.84 -0.85 -4.99 114.94 117.35 1nwn s ASN 86 Ca 0.04 -2.25 0.27 0.00 0.21 0.00 0.00 52.86 51.14 1nwn s ASN 86 Cb 0.09 -1.19 1.48 0.00 -0.55 0.00 0.00 41.25 41.09 1nwn s ASN 86 CO 0.42 -0.34 1.98 -0.65 -2.79 0.00 0.00 177.10 175.73 1nwn h PRO 87 N 7.34 0.00 -0.30 0.43 0.11 -1.75 -1.20 132.00 136.64 1nwn h PRO 87 Ca -0.07 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.92 1nwn h PRO 87 Cb 0.97 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1nwn h PRO 87 CO 0.51 0.00 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.53 1nwn h ASP 88 N 0.00 0.68 0.56 -2.05 3.32 -1.94 -0.56 116.42 116.43 1nwn h ASP 88 Ca 0.21 -0.28 -0.29 0.00 0.02 0.00 0.00 57.03 56.70 1nwn h ASP 88 Cb 0.98 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.35 1nwn h ASP 88 CO -0.00 0.96 -1.29 0.44 -1.72 0.00 0.00 179.24 177.62 1nwn h ASP 89 N 0.55 0.51 -0.60 6.45 3.32 -1.59 -3.01 116.42 122.05 1nwn h ASP 89 Ca 0.06 -0.54 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1nwn h ASP 89 Cb 0.83 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 1nwn h ASP 89 CO 0.07 1.43 0.37 0.25 -1.72 0.00 0.00 179.24 179.64 1nwn h LEU 90 N 0.09 0.70 -0.92 1.55 5.85 -1.12 -2.39 115.31 119.08 1nwn h LEU 90 Ca -0.16 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1nwn h LEU 90 Cb 2.01 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.83 1nwn h LEU 90 CO 0.22 0.54 0.34 0.58 -0.34 0.00 0.00 178.44 179.78 1nwn h VAL 91 N 0.81 1.25 -0.16 1.05 2.07 -1.14 -0.95 116.25 119.18 1nwn h VAL 91 Ca 0.22 -0.74 -0.16 0.00 0.82 0.00 0.00 66.70 66.83 1nwn h VAL 91 Cb -0.04 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1nwn h VAL 91 CO -0.04 0.31 -0.58 0.00 0.02 0.00 0.00 177.57 177.27 1nwn h VAL 93 N 0.39 1.32 -0.44 0.00 -1.51 -1.31 -1.69 116.25 113.00 1nwn h VAL 93 Ca -0.00 -1.72 -0.06 0.00 -1.23 0.00 0.00 66.70 63.68 1nwn h VAL 93 Cb 1.13 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 31.97 1nwn h VAL 93 CO 0.11 0.54 0.03 0.58 -1.23 0.00 0.00 177.57 177.59 1nwn h VAL 94 N 0.44 1.26 -0.05 7.19 2.07 -1.04 -1.82 116.25 124.30 1nwn h VAL 94 Ca 0.02 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 1nwn h VAL 94 Cb 1.03 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1nwn h VAL 94 CO 0.10 0.34 -0.29 -0.33 0.02 0.00 0.00 177.57 177.41 1nwn h GLU 95 N 0.61 0.08 -0.03 1.57 5.08 -0.98 0.14 114.58 121.05 1nwn h GLU 95 Ca 0.13 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1nwn h GLU 95 Cb 0.45 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1nwn h GLU 95 CO 0.02 0.37 0.00 -0.22 -1.00 0.00 0.00 179.01 178.18 1nwn h LYS 96 N 0.08 0.05 0.00 2.33 3.11 -0.85 -2.47 116.57 118.81 1nwn h LYS 96 Ca 0.01 -0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 1nwn h LYS 96 Cb 0.56 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.77 1nwn h LYS 96 CO 0.04 0.30 -0.46 0.74 -2.81 0.00 0.00 179.45 177.26 1nwn h PHE 97 N -0.21 0.00 -0.82 1.91 0.04 -1.06 -2.75 116.94 114.05 1nwn h PHE 97 Ca 0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1nwn h PHE 97 Cb 0.28 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 1nwn h PHE 97 CO 0.02 0.46 0.46 0.00 -0.60 0.00 0.00 178.31 178.65 1nwn h ALA 98 N 1.54 1.28 -0.35 2.45 0.00 -0.57 -1.76 119.26 121.85 1nwn h ALA 98 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1nwn h ALA 98 Cb 0.90 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1nwn h ALA 98 CO 0.06 0.60 0.07 0.28 0.00 0.00 0.00 179.25 180.26 1nwn h VAL 99 N 1.13 1.17 0.00 0.00 2.07 -1.13 0.37 116.25 119.86 1nwn h VAL 99 Ca 0.29 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1nwn h VAL 99 Cb -0.00 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1nwn h VAL 99 CO -0.05 0.22 -0.12 0.78 0.02 0.00 0.00 177.57 178.42 1nwn h ASN 100 N 0.51 0.00 0.23 0.57 -0.26 -1.29 -2.10 115.58 113.24 1nwn h ASN 100 Ca 0.12 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.52 1nwn h ASN 100 Cb 0.22 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.42 1nwn h ASN 100 CO -0.00 0.12 -2.04 1.41 -1.06 0.00 0.00 177.43 175.86 1nwn n HIS 101 N -3.92 0.65 -0.17 1.19 8.25 -0.53 -3.91 115.22 116.77 1nwn n HIS 101 Ca -0.02 0.20 -0.04 0.00 -0.26 0.00 0.00 57.72 57.60 1nwn n HIS 101 Cb 0.21 -1.11 0.15 0.00 1.12 0.00 0.00 29.99 30.37 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 0.01 1.24 0.00 1.59 2.04 -0.81 -1.15 117.51 120.42 1nwn h ILE 102 Ca -0.42 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1nwn h ILE 102 Cb 2.07 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1nwn h ILE 102 CO 0.05 0.32 0.00 0.71 0.00 0.00 0.00 178.15 179.23 1nwn h THR 103 N 0.89 0.00 -0.65 -0.27 1.35 -1.54 -1.97 112.91 110.71 1nwn h THR 103 Ca 0.19 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1nwn h THR 103 Cb 0.30 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1nwn h THR 103 CO -0.00 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.81 1nwn n ARG 104 N -2.59 3.03 -3.49 4.72 3.00 -0.66 -4.97 116.66 115.71 1nwn n ARG 104 Ca 0.01 -2.65 -0.22 0.00 -0.01 0.00 0.00 57.85 54.99 1nwn n ARG 104 Cb 0.25 -1.62 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 1.31 -7.22 -3.52 5.56 4.76 -0.74 -4.99 118.16 113.32 1nwn n LYS 105 Ca 0.23 0.75 -0.41 0.00 -2.87 0.00 0.00 58.31 56.01 1nwn n LYS 105 Cb 0.67 -5.56 -0.10 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 0.84 -0.18 -1.09 -0.53 -5.03 121.20 117.20 1nwn s ILE 106 Ca 0.53 -0.30 -0.12 0.00 -2.23 0.00 0.00 60.65 58.53 1nwn s ILE 106 Cb -0.23 -3.75 0.10 0.00 -1.58 0.00 0.00 42.46 36.99 1nwn s ILE 106 CO 0.66 -0.06 1.16 -0.94 -1.23 0.00 0.00 174.94 174.52 1nwn s SER 107 N 1.71 4.21 0.25 3.58 1.04 -1.26 -4.49 113.70 118.75 1nwn s SER 107 Ca 0.06 0.89 -0.04 0.00 0.48 0.00 0.00 55.95 57.33 1nwn s SER 107 Cb -0.18 -1.43 0.30 0.00 0.10 0.00 0.00 66.02 64.81 1nwn s SER 107 CO 0.10 -2.10 1.82 0.00 0.98 0.00 0.00 173.24 174.04 1nwn h ALA 108 N -1.19 1.16 -0.33 5.32 0.00 -1.86 -1.22 119.26 121.13 1nwn h ALA 108 Ca -0.48 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 1nwn h ALA 108 Cb 1.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1nwn h ALA 108 CO 0.64 0.60 0.10 0.00 0.00 0.00 0.00 179.25 180.59 1nwn h ALA 109 N 1.28 0.43 -0.56 0.00 0.00 -1.95 -1.82 119.26 116.64 1nwn h ALA 109 Ca 0.22 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1nwn h ALA 109 Cb 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1nwn h ALA 109 CO -0.01 0.07 0.04 0.93 0.00 0.00 0.00 179.25 180.28 1nwn h GLU 110 N 0.38 0.96 -0.47 0.00 5.08 -1.88 -2.31 114.58 116.34 1nwn h GLU 110 Ca 0.11 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1nwn h GLU 110 Cb 0.26 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1nwn h GLU 110 CO -0.00 0.95 0.31 0.35 -1.00 0.00 0.00 179.01 179.62 1nwn h PHE 111 N 0.85 0.53 0.00 4.33 3.57 -1.11 -0.85 116.94 124.27 1nwn h PHE 111 Ca 0.17 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1nwn h PHE 111 Cb 0.48 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1nwn h PHE 111 CO 0.04 0.32 0.00 0.78 -2.23 0.00 0.00 178.31 177.21 1nwn h GLY 112 N 0.56 0.00 2.00 2.40 0.00 -0.74 -2.36 103.07 104.93 1nwn h GLY 112 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1nwn h GLY 112 CO -0.05 0.00 0.00 0.50 0.00 0.00 0.00 176.54 176.99 1nwn h LYS 113 N 0.00 0.00 0.00 4.80 1.57 -1.16 -0.68 116.57 121.10 1nwn h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nwn h LYS 113 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1nwn h LYS 113 CO 0.00 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.85 1nwn h ILE 114 N 0.00 0.00 -0.28 1.86 6.09 -1.62 -2.98 117.51 120.58 1nwn h ILE 114 Ca 0.00 -0.44 -0.01 0.00 -1.37 0.00 0.00 64.86 63.04 1nwn h ILE 114 Cb 0.07 1.43 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 1nwn h ILE 114 CO 0.00 0.00 0.13 0.78 -3.07 0.00 0.00 178.15 175.99 1nwn h ASN 115 N 0.00 0.34 0.88 2.19 -0.26 -1.36 -2.04 115.58 115.33 1nwn h ASN 115 Ca 0.00 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.67 1nwn h ASN 115 Cb 0.44 -0.09 0.01 0.00 -1.06 0.00 0.00 38.32 37.63 1nwn h ASN 115 CO 0.00 0.30 -0.42 1.23 -1.06 0.00 0.00 177.43 177.48 1nwn h GLY 116 N 0.50 -1.23 0.53 2.83 0.00 -1.73 -1.88 103.07 102.08 1nwn h GLY 116 Ca 0.10 0.46 0.10 0.00 0.00 0.00 0.00 47.33 47.98 1nwn h GLY 116 CO -0.01 -0.45 0.53 -2.55 0.00 0.00 0.00 176.54 174.06 1nwn h PRO 117 N -1.23 0.85 -0.96 4.80 0.11 -1.69 -1.33 132.00 132.55 1nwn h PRO 117 Ca -0.12 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1nwn h PRO 117 Cb 0.91 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.78 1nwn h PRO 117 CO 0.20 0.56 0.62 0.82 -0.21 0.00 0.00 178.00 179.99 1nwn h ILE 118 N 0.88 1.25 -0.73 4.15 2.04 -1.30 0.78 117.51 124.59 1nwn h ILE 118 Ca 0.42 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1nwn h ILE 118 Cb 0.37 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 1nwn h ILE 118 CO -0.24 0.25 0.35 0.50 0.00 0.00 0.00 178.15 179.01 1nwn h LYS 119 N 1.31 1.03 -0.05 2.37 3.64 -0.40 -0.81 116.57 123.66 1nwn h LYS 119 Ca 0.35 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1nwn h LYS 119 Cb -0.12 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.51 1nwn h LYS 119 CO -0.07 0.79 -0.37 0.87 -2.27 0.00 0.00 179.45 178.40 1nwn h LYS 120 N 1.03 0.35 -0.45 1.90 1.57 -0.82 -1.39 116.57 118.75 1nwn h LYS 120 Ca 0.25 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1nwn h LYS 120 Cb 0.10 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1nwn h LYS 120 CO -0.03 0.95 0.30 0.28 -0.57 0.00 0.00 179.45 180.38 1nwn h VAL 121 N -0.16 1.12 -0.89 0.50 2.07 -0.77 0.15 116.25 118.26 1nwn h VAL 121 Ca -0.03 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1nwn h VAL 121 Cb 1.04 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1nwn h VAL 121 CO 0.08 0.11 0.50 -0.07 0.02 0.00 0.00 177.57 178.20 1nwn h LEU 122 N 0.61 1.11 -0.41 2.57 3.38 -1.20 -2.89 115.31 118.49 1nwn h LEU 122 Ca 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1nwn h LEU 122 Cb -0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1nwn h LEU 122 CO -0.04 0.89 0.20 0.00 0.09 0.00 0.00 178.44 179.59 1nwn h ALA 123 N 1.27 0.53 0.00 1.53 0.00 -0.40 -1.40 119.26 120.79 1nwn h ALA 123 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nwn h ALA 123 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1nwn h ALA 123 CO -0.05 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 1nwn n SER 124 N -4.69 0.00 -0.05 0.00 3.41 -0.04 -0.01 113.62 112.24 1nwn n SER 124 Ca 0.00 0.03 0.03 0.00 -0.26 0.00 0.00 58.87 58.67 1nwn n SER 124 Cb 0.11 -0.12 0.04 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.12 2.61 -3.16 4.33 4.76 -0.63 -5.00 118.16 119.95 1nwn n LYS 125 Ca 0.02 -1.78 -0.19 0.00 -2.87 0.00 0.00 58.31 53.49 1nwn n LYS 125 Cb 0.02 -1.13 0.05 0.00 -1.84 0.00 0.00 35.03 32.12 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 -0.67 -5.44 -4.25 4.39 5.03 0.99 -5.00 115.26 110.32 1nwn n ASN 126 Ca 0.04 -0.34 -0.36 0.00 0.87 0.00 0.00 54.58 54.79 1nwn n ASN 126 Cb 0.35 -4.15 -0.13 0.00 -1.02 0.00 0.00 39.78 34.83 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 3.16 0.00 3.10 0.08 -0.63 -5.01 117.98 115.52 1nwn s PHE 127 Ca 0.37 -1.44 0.00 0.00 0.12 0.00 0.00 56.93 55.98 1nwn s PHE 127 Cb -0.16 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 1nwn s PHE 127 CO 0.46 -0.70 0.00 0.41 -0.10 0.00 0.00 175.22 175.29 1nwn n GLY 128 N 4.74 -1.92 0.34 4.36 0.00 -1.26 -3.62 105.19 107.82 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 0.00 0.72 -0.18 1.61 5.19 -1.98 -2.77 116.42 119.00 1nwn h ASP 129 Ca 0.00 -0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.44 1nwn h ASP 129 Cb 0.00 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.31 1nwn h ASP 129 CO 0.00 0.49 -0.07 0.50 -3.12 0.00 0.00 179.24 177.05 1nwn h LYS 130 N 0.83 -0.03 -0.72 3.56 3.64 -1.99 0.92 116.57 122.78 1nwn h LYS 130 Ca 0.28 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1nwn h LYS 130 Cb 0.07 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1nwn h LYS 130 CO -0.08 -0.02 0.24 1.88 -2.27 0.00 0.00 179.45 179.20 1nwn h TYR 131 N -0.04 1.14 -0.29 1.91 0.05 -1.85 -1.34 116.97 116.56 1nwn h TYR 131 Ca 0.09 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1nwn h TYR 131 Cb 0.18 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 1nwn h TYR 131 CO -0.22 0.90 0.10 0.00 -1.05 0.00 0.00 178.16 177.88 1nwn h ALA 132 N 1.12 1.64 -0.14 3.88 0.00 -1.14 -1.29 119.26 123.32 1nwn h ALA 132 Ca 0.23 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1nwn h ALA 132 Cb 0.28 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nwn h ALA 132 CO -0.01 0.29 -0.69 -0.91 0.00 0.00 0.00 179.25 177.93 1nwn h ASN 133 N 0.40 0.67 -0.22 0.00 -0.26 -0.11 -2.07 115.58 113.99 1nwn h ASN 133 Ca 0.10 -0.42 -0.02 0.00 -0.56 0.00 0.00 56.30 55.41 1nwn h ASN 133 Cb 0.12 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1nwn h ASN 133 CO -0.01 1.17 0.08 0.00 -1.06 0.00 0.00 177.43 177.61 1nwn h ALA 134 N 0.83 0.29 -0.01 -0.83 0.00 -0.69 -2.22 119.26 116.62 1nwn h ALA 134 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1nwn h ALA 134 Cb 1.27 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1nwn h ALA 134 CO 0.13 -0.09 -0.06 -1.49 0.00 0.00 0.00 179.25 177.74 1nwn h TRP 135 N 0.20 0.01 -0.02 0.00 4.06 -1.21 -0.91 115.95 118.07 1nwn h TRP 135 Ca 0.07 -0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.93 1nwn h TRP 135 Cb 0.22 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 1nwn h TRP 135 CO -0.00 0.08 -0.44 0.00 -3.56 0.00 0.00 178.44 174.51 1nwn h ALA 136 N 1.93 1.22 -0.18 1.49 0.00 -0.80 -1.62 119.26 121.31 1nwn h ALA 136 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 1nwn h ALA 136 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nwn h ALA 136 CO 0.01 0.57 -0.49 0.87 0.00 0.00 0.00 179.25 180.21 1nwn h LYS 137 N 0.04 0.47 -0.17 0.00 1.57 -0.67 -1.00 116.57 116.82 1nwn h LYS 137 Ca -0.00 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.42 1nwn h LYS 137 Cb 0.80 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1nwn h LYS 137 CO 0.06 0.86 -0.26 1.25 -0.57 0.00 0.00 179.45 180.79 1nwn h LEU 138 N 0.38 0.52 -2.22 2.94 5.85 -1.23 -2.65 115.31 118.90 1nwn h LEU 138 Ca 0.02 -0.53 0.01 0.00 0.84 0.00 0.00 57.88 58.23 1nwn h LEU 138 Cb 0.99 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1nwn h LEU 138 CO 0.09 0.94 0.04 0.58 -0.34 0.00 0.00 178.44 179.76 1nwn h VAL 139 N 0.11 0.73 -0.08 1.05 2.07 -1.20 -0.68 116.25 118.24 1nwn h VAL 139 Ca 0.01 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 1nwn h VAL 139 Cb 0.84 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1nwn h VAL 139 CO 0.06 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 177.24 1nwn h ALA 140 N 1.96 1.16 -0.65 1.67 0.00 -0.82 -1.32 119.26 121.25 1nwn h ALA 140 Ca 0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1nwn h ALA 140 Cb 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1nwn h ALA 140 CO -0.00 0.58 0.07 0.28 0.00 0.00 0.00 179.25 180.18 1nwn h VAL 141 N 0.15 1.26 -0.39 0.00 2.07 -0.92 -0.56 116.25 117.87 1nwn h VAL 141 Ca 0.01 -1.08 -0.13 0.00 0.82 0.00 0.00 66.70 66.32 1nwn h VAL 141 Cb 0.80 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1nwn h VAL 141 CO 0.06 0.40 -0.30 0.58 0.02 0.00 0.00 177.57 178.34 1nwn h VAL 142 N 1.02 1.28 -0.23 2.57 2.07 -1.39 -2.79 116.25 118.78 1nwn h VAL 142 Ca 0.19 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1nwn h VAL 142 Cb 0.48 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1nwn h VAL 142 CO 0.02 0.48 -0.01 1.56 0.02 0.00 0.00 177.57 179.64 1nwn h GLN 143 N 0.71 0.34 0.00 1.57 4.20 -0.78 -1.19 115.11 119.95 1nwn h GLN 143 Ca 0.08 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1nwn h GLN 143 Cb 0.85 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1nwn h GLN 143 CO 0.07 0.38 -0.01 0.00 -0.67 0.00 0.00 178.83 178.59 1nwn h ALA 144 N 1.67 1.07 0.00 3.87 0.00 -0.82 -2.28 119.26 122.77 1nwn h ALA 144 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nwn h ALA 144 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1nwn h ALA 144 CO 0.01 0.02 -1.04 0.00 0.00 0.00 0.00 179.25 178.24 1nwn n ALA 145 N -2.12 3.32 1.52 0.00 0.00 -0.46 -4.38 120.51 118.38 1nwn n ALA 145 Ca -0.02 -0.39 0.14 0.00 0.00 0.00 0.00 53.44 53.17 1nwn n ALA 145 Cb 0.15 -0.98 0.54 0.00 0.00 0.00 0.00 19.45 19.16 1nwn n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78