#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdv h GLY 12 N 0.00 0.37 1.01 4.83 0.00 -2.06 -3.05 103.07 104.17 2wdv h GLY 12 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.60 2wdv h GLY 12 CO 0.00 0.64 0.60 -2.08 0.00 0.00 0.00 176.54 175.70 2wdv h VAL 13 N 0.16 1.25 -0.10 4.60 2.07 -2.06 -0.89 116.25 121.28 2wdv h VAL 13 Ca -0.09 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2wdv h VAL 13 Cb 1.69 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2wdv h VAL 13 CO 0.17 0.25 0.06 -0.74 0.02 0.00 0.00 177.57 177.32 2wdv h HIS 14 N 1.28 0.14 -0.14 1.57 6.17 -2.00 -2.41 115.15 119.76 2wdv h HIS 14 Ca 0.34 -0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.45 2wdv h HIS 14 Cb -0.11 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 29.75 2wdv h HIS 14 CO -0.00 0.17 -0.05 -0.44 0.71 0.00 0.00 177.93 178.32 2wdv h ASP 15 N 0.07 -0.17 -0.68 3.26 5.19 -1.37 -1.42 116.42 121.31 2wdv h ASP 15 Ca 0.04 0.05 0.14 0.00 -0.62 0.00 0.00 57.03 56.63 2wdv h ASP 15 Cb 0.07 0.10 -0.10 0.00 0.18 0.00 0.00 39.33 39.59 2wdv h ASP 15 CO -0.01 -0.06 0.17 0.15 -3.12 0.00 0.00 179.24 176.37 2wdv h PHE 16 N -0.02 0.26 -0.10 4.55 3.57 -1.05 -1.10 116.94 123.05 2wdv h PHE 16 Ca 0.07 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2wdv h PHE 16 Cb 0.13 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.86 2wdv h PHE 16 CO -0.19 -0.04 -0.27 0.82 -2.23 0.00 0.00 178.31 176.40 2wdv h ILE 17 N 0.28 1.39 0.03 1.41 2.04 -1.13 -2.92 117.51 118.62 2wdv h ILE 17 Ca 0.37 -1.58 0.02 0.00 1.00 0.00 0.00 64.86 64.66 2wdv h ILE 17 Cb 0.59 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 2wdv h ILE 17 CO -0.45 0.46 -0.15 -0.07 0.00 0.00 0.00 178.15 177.94 2wdv h LEU 18 N -0.08 -0.43 -0.52 1.44 3.38 -0.99 1.00 115.31 119.11 2wdv h LEU 18 Ca -0.00 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2wdv h LEU 18 Cb 0.88 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 2wdv h LEU 18 CO 0.06 -0.21 -0.33 0.58 0.09 0.00 0.00 178.44 178.63 2wdv h VAL 19 N -0.26 0.20 0.00 1.22 2.07 -1.30 -0.63 116.25 117.55 2wdv h VAL 19 Ca 0.04 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 2wdv h VAL 19 Cb 0.31 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2wdv h VAL 19 CO -0.12 0.00 -0.49 0.03 0.02 0.00 0.00 177.57 177.01 2wdv h ARG 20 N -0.19 0.00 -0.16 1.57 3.08 -1.24 -1.82 114.38 115.62 2wdv h ARG 20 Ca 0.21 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.14 2wdv h ARG 20 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2wdv h ARG 20 CO -0.62 0.49 -0.38 0.00 -1.07 0.00 0.00 179.97 178.38 2wdv h ALA 21 N 1.51 0.26 -0.53 0.04 0.00 -0.29 -2.77 119.26 117.48 2wdv h ALA 21 Ca -0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 2wdv h ALA 21 Cb 0.99 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2wdv h ALA 21 CO 0.06 0.35 0.06 1.79 0.00 0.00 0.00 179.25 181.51 2wdv h THR 22 N 0.18 1.24 -0.73 0.00 1.35 -0.99 -2.48 112.91 111.48 2wdv h THR 22 Ca -0.00 -0.95 -0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2wdv h THR 22 Cb 0.99 0.77 -0.04 0.00 -1.73 0.00 0.00 68.15 68.14 2wdv h THR 22 CO 0.08 0.34 0.45 0.00 -0.25 0.00 0.00 175.52 176.15 2wdv h ALA 23 N 1.25 1.41 -0.50 6.62 0.00 -1.29 0.11 119.26 126.86 2wdv h ALA 23 Ca 0.17 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2wdv h ALA 23 Cb 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2wdv h ALA 23 CO 0.01 0.52 0.06 0.82 0.00 0.00 0.00 179.25 180.66 2wdv h ILE 24 N 1.01 1.25 0.00 0.00 2.04 -1.15 0.46 117.51 121.12 2wdv h ILE 24 Ca 0.27 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 2wdv h ILE 24 Cb -0.05 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2wdv h ILE 24 CO -0.05 0.35 -0.00 0.58 0.00 0.00 0.00 178.15 179.03 2wdv h VAL 25 N 0.72 1.14 -0.56 1.67 2.07 -1.09 -2.59 116.25 117.60 2wdv h VAL 25 Ca 0.15 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2wdv h VAL 25 Cb 0.43 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2wdv h VAL 25 CO 0.01 0.10 0.29 -0.07 0.02 0.00 0.00 177.57 177.93 2wdv h LEU 26 N -0.17 0.69 -0.17 2.57 3.38 -0.71 -1.64 115.31 119.26 2wdv h LEU 26 Ca -0.00 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2wdv h LEU 26 Cb 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2wdv h LEU 26 CO 0.00 0.57 0.07 0.74 0.09 0.00 0.00 178.44 179.91 2wdv h THR 27 N 0.78 0.97 -1.00 0.22 2.02 -0.78 -0.02 112.91 115.10 2wdv h THR 27 Ca 0.20 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.36 2wdv h THR 27 Cb 0.04 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 2wdv h THR 27 CO -0.03 0.03 0.65 -0.07 0.37 0.00 0.00 175.52 176.47 2wdv h LEU 28 N 0.16 1.10 -0.79 2.58 3.38 -0.99 0.04 115.31 120.79 2wdv h LEU 28 Ca 0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2wdv h LEU 28 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2wdv h LEU 28 CO -0.07 0.76 -0.03 0.22 0.09 0.00 0.00 178.44 179.42 2wdv h TYR 29 N 1.28 0.96 -0.26 1.13 3.20 -0.89 0.68 116.97 123.07 2wdv h TYR 29 Ca 0.39 -0.15 -0.16 0.00 3.14 0.00 0.00 58.73 61.94 2wdv h TYR 29 Cb -0.03 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 37.98 2wdv h TYR 29 CO -0.00 0.88 -0.50 0.82 -1.64 0.00 0.00 178.16 177.72 2wdv h ILE 30 N 0.81 1.30 -0.52 1.81 2.04 -0.40 -0.65 117.51 121.89 2wdv h ILE 30 Ca 0.15 -1.70 0.05 0.00 1.00 0.00 0.00 64.86 64.36 2wdv h ILE 30 Cb 0.52 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 2wdv h ILE 30 CO 0.03 0.54 0.25 0.40 0.00 0.00 0.00 178.15 179.38 2wdv h ILE 31 N 0.56 0.93 -0.20 -0.67 2.04 -0.74 0.16 117.51 119.59 2wdv h ILE 31 Ca 0.02 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2wdv h ILE 31 Cb 1.06 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2wdv h ILE 31 CO 0.10 0.09 0.12 0.22 0.00 0.00 0.00 178.15 178.68 2wdv h TYR 32 N 0.49 0.23 -0.21 1.37 3.20 -0.69 -0.51 116.97 120.84 2wdv h TYR 32 Ca 0.24 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 2wdv h TYR 32 Cb 0.17 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2wdv h TYR 32 CO -0.11 0.14 -0.35 0.52 -1.64 0.00 0.00 178.16 176.72 2wdv h MET 33 N 0.25 0.61 -0.75 1.82 2.86 -0.90 -2.47 114.93 116.35 2wdv h MET 33 Ca 0.08 -0.37 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 2wdv h MET 33 Cb -0.01 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 2wdv h MET 33 CO -0.03 0.98 0.50 0.28 1.06 0.00 0.00 176.91 179.70 2wdv h VAL 34 N 0.30 1.18 0.42 -2.22 2.07 -0.72 -2.46 116.25 114.81 2wdv h VAL 34 Ca 0.02 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2wdv h VAL 34 Cb 0.94 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2wdv h VAL 34 CO 0.08 0.18 -0.51 1.23 0.02 0.00 0.00 177.57 178.58 2wdv h GLY 35 N 1.01 -1.25 0.05 2.17 0.00 -0.77 -1.91 103.07 102.37 2wdv h GLY 35 Ca 0.28 0.60 0.04 0.00 0.00 0.00 0.00 47.33 48.25 2wdv h GLY 35 CO -0.06 -0.35 -0.43 -2.75 0.00 0.00 0.00 176.54 172.95 2wdv h PHE 36 N -0.94 -1.22 0.11 5.60 3.57 -1.29 -3.00 116.94 119.77 2wdv h PHE 36 Ca -0.05 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2wdv h PHE 36 Cb 0.84 0.55 -0.04 0.00 2.79 0.00 0.00 35.95 40.08 2wdv h PHE 36 CO -0.30 -0.49 -0.49 0.74 -2.23 0.00 0.00 178.31 175.55 2wdv h PHE 37 N -0.52 -1.43 0.00 0.41 0.04 -1.37 -2.26 116.94 111.81 2wdv h PHE 37 Ca 0.06 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2wdv h PHE 37 Cb 0.64 0.61 0.00 0.00 2.20 0.00 0.00 35.95 39.40 2wdv h PHE 37 CO -0.47 -0.56 0.00 0.00 -0.60 0.00 0.00 178.31 176.68 2wdv n ALA 38 N -2.90 2.05 -2.89 2.45 0.00 -0.73 -3.45 120.51 115.05 2wdv n ALA 38 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 2wdv n ALA 38 Cb 0.38 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.85 2wdv n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wdv n THR 39 N -0.27 -0.21 -1.57 0.00 -2.24 -0.85 -4.93 114.28 104.21 2wdv n THR 39 Ca 0.00 -2.32 0.00 0.00 -2.27 0.00 0.00 64.05 59.46 2wdv n THR 39 Cb 0.05 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2wdv n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wdv n SER 40 N 1.50 0.00 0.00 3.42 3.41 -1.21 -4.83 113.62 115.91 2wdv n SER 40 Ca 0.13 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 2wdv n SER 40 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2wdv n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdv n GLY 41 N 0.00 0.64 2.43 5.00 0.00 -1.26 -4.38 105.19 107.62 2wdv n GLY 41 Ca 0.00 0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2wdv n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdv n GLU 42 N 3.58 0.00 -1.74 1.61 -0.58 -1.26 -4.81 120.64 117.45 2wdv n GLU 42 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 2wdv n GLU 42 Cb 0.00 -1.04 -0.03 0.00 -0.57 0.00 0.00 31.44 29.81 2wdv n GLU 42 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wdv n LEU 43 N 3.95 7.02 -4.72 -4.62 4.77 -1.26 -4.96 117.00 117.17 2wdv n LEU 43 Ca 0.30 -4.44 -0.37 0.00 -0.03 0.00 0.00 56.01 51.46 2wdv n LEU 43 Cb -0.03 -1.23 0.06 0.00 -2.33 0.00 0.00 43.42 39.89 2wdv n LEU 43 CO 0.62 1.82 0.90 1.07 -1.33 0.00 0.00 177.39 180.47 2wdv n THR 44 N 0.74 4.64 0.05 -5.08 5.66 -1.26 -4.83 114.28 114.20 2wdv n THR 44 Ca 0.52 -0.50 0.21 0.00 -3.05 0.00 0.00 64.05 61.23 2wdv n THR 44 Cb 0.42 -1.51 0.73 0.00 -1.55 0.00 0.00 70.33 68.42 2wdv n THR 44 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 2wdv h TYR 45 N 0.73 0.00 0.12 1.09 3.20 -1.99 -2.27 116.97 117.85 2wdv h TYR 45 Ca -0.51 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.20 2wdv h TYR 45 Cb 1.33 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.62 2wdv h TYR 45 CO 0.42 0.00 -0.74 1.49 -1.64 0.00 0.00 178.16 177.69 2wdv h GLU 46 N 0.00 0.25 -0.22 1.82 4.81 -1.99 -2.42 114.58 116.83 2wdv h GLU 46 Ca 0.23 -0.43 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 2wdv h GLU 46 Cb 1.16 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2wdv h GLU 46 CO -0.00 1.21 -0.25 -0.39 -0.73 0.00 0.00 179.01 178.84 2wdv h VAL 47 N -0.46 1.26 0.86 0.32 -1.51 -1.88 -2.79 116.25 112.05 2wdv h VAL 47 Ca -0.13 -1.23 -0.04 0.00 -1.23 0.00 0.00 66.70 64.07 2wdv h VAL 47 Cb 1.56 1.36 0.01 0.00 -2.13 0.00 0.00 31.29 32.09 2wdv h VAL 47 CO 0.12 0.39 -0.44 -0.25 -1.23 0.00 0.00 177.57 176.16 2wdv h TRP 48 N 0.38 -1.14 0.00 5.19 2.91 -1.48 -2.55 115.95 119.26 2wdv h TRP 48 Ca 0.06 -0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 2wdv h TRP 48 Cb 0.64 0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.67 2wdv h TRP 48 CO 0.02 -0.69 -0.23 0.97 -1.03 0.00 0.00 178.44 177.48 2wdv h ILE 49 N -1.19 0.81 -0.10 2.65 2.10 -1.47 -2.04 117.51 118.27 2wdv h ILE 49 Ca -0.12 -0.90 -0.13 0.00 1.08 0.00 0.00 64.86 64.79 2wdv h ILE 49 Cb 0.92 1.54 0.01 0.00 -1.09 0.00 0.00 36.82 38.20 2wdv h ILE 49 CO 0.18 0.22 -0.46 1.23 -1.08 0.00 0.00 178.15 178.24 2wdv h GLY 50 N 1.18 0.55 0.71 8.18 0.00 -1.53 -0.55 103.07 111.60 2wdv h GLY 50 Ca -0.00 -0.76 0.04 0.00 0.00 0.00 0.00 47.33 46.61 2wdv h GLY 50 CO 0.03 0.67 0.13 -2.75 0.00 0.00 0.00 176.54 174.63 2wdv h PHE 51 N 0.09 0.24 0.00 5.60 3.57 -1.32 -2.79 116.94 122.33 2wdv h PHE 51 Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2wdv h PHE 51 Cb 1.10 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2wdv h PHE 51 CO 0.11 0.10 0.00 1.19 -2.23 0.00 0.00 178.31 177.48 2wdv n PHE 52 N -5.01 0.00 -0.03 0.41 3.72 -0.78 -3.25 117.46 112.52 2wdv n PHE 52 Ca 0.01 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.44 2wdv n PHE 52 Cb 0.12 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.52 2wdv n PHE 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wdv n ALA 53 N -0.86 2.26 -1.68 4.37 0.00 -0.22 -4.73 120.51 119.65 2wdv n ALA 53 Ca 0.17 -0.78 -0.44 0.00 0.00 0.00 0.00 53.44 52.39 2wdv n ALA 53 Cb 0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 2wdv n ALA 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdv n SER 54 N -2.52 2.85 -0.22 0.00 2.88 -1.14 -4.86 113.62 110.61 2wdv n SER 54 Ca -0.14 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 2wdv n SER 54 Cb 0.80 -1.45 0.11 0.00 -0.75 0.00 0.00 64.21 62.92 2wdv n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdv h ALA 55 N 3.94 0.86 -0.95 -1.46 0.00 -1.93 -1.17 119.26 118.55 2wdv h ALA 55 Ca -0.45 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.60 2wdv h ALA 55 Cb 1.27 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2wdv h ALA 55 CO 0.73 -0.11 0.60 0.35 0.00 0.00 0.00 179.25 180.82 2wdv h PHE 56 N 0.51 1.10 -0.09 0.00 3.57 -1.94 -0.58 116.94 119.52 2wdv h PHE 56 Ca 0.32 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.63 2wdv h PHE 56 Cb 0.34 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2wdv h PHE 56 CO -0.13 0.53 -0.81 1.15 -2.23 0.00 0.00 178.31 176.82 2wdv h THR 57 N 1.05 1.33 0.06 4.41 2.02 -1.62 -2.77 112.91 117.40 2wdv h THR 57 Ca 0.43 -2.13 -0.00 0.00 0.77 0.00 0.00 66.41 65.47 2wdv h THR 57 Cb 0.25 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2wdv h THR 57 CO -0.20 0.65 -0.03 0.11 0.37 0.00 0.00 175.52 176.43 2wdv h LYS 58 N 0.38 -0.08 0.68 6.66 1.57 -0.63 -2.60 116.57 122.55 2wdv h LYS 58 Ca -0.06 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2wdv h LYS 58 Cb 1.42 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.75 2wdv h LYS 58 CO 0.15 0.09 -0.33 0.28 -0.57 0.00 0.00 179.45 179.07 2wdv h VAL 59 N -0.24 0.32 -0.99 0.50 2.07 -1.21 -2.21 116.25 114.50 2wdv h VAL 59 Ca -0.01 -0.05 0.23 0.00 0.82 0.00 0.00 66.70 67.69 2wdv h VAL 59 Cb 0.21 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.23 2wdv h VAL 59 CO 0.01 0.01 0.64 0.15 0.02 0.00 0.00 177.57 178.40 2wdv h PHE 60 N -0.95 0.65 -0.01 1.57 -0.00 -1.57 0.20 116.94 116.83 2wdv h PHE 60 Ca -0.09 0.02 -0.25 0.00 -0.00 0.00 0.00 57.97 57.65 2wdv h PHE 60 Cb 0.71 -0.19 0.01 0.00 -0.00 0.00 0.00 35.95 36.48 2wdv h PHE 60 CO -0.02 0.12 -0.98 1.15 -0.00 0.00 0.00 178.31 178.57 2wdv h THR 61 N 0.44 1.32 -0.34 4.41 2.02 -1.20 -0.24 112.91 119.33 2wdv h THR 61 Ca 0.54 -2.29 -0.17 0.00 0.77 0.00 0.00 66.41 65.26 2wdv h THR 61 Cb 1.31 2.35 -0.00 0.00 -1.74 0.00 0.00 68.15 70.07 2wdv h THR 61 CO -0.25 0.70 -0.47 -0.07 0.37 0.00 0.00 175.52 175.80 2wdv h LEU 62 N 0.35 1.00 -0.74 2.58 3.38 -0.64 -0.09 115.31 121.15 2wdv h LEU 62 Ca -0.11 -0.50 0.09 0.00 0.09 0.00 0.00 57.88 57.45 2wdv h LEU 62 Cb 1.63 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 42.02 2wdv h LEU 62 CO 0.19 1.30 0.39 0.25 0.09 0.00 0.00 178.44 180.66 2wdv h LEU 63 N 0.72 0.52 -0.86 1.67 5.85 -0.61 -0.69 115.31 121.92 2wdv h LEU 63 Ca 0.04 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 2wdv h LEU 63 Cb 1.08 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2wdv h LEU 63 CO 0.11 0.30 -0.46 0.00 -0.34 0.00 0.00 178.44 178.05 2wdv h ALA 64 N 1.43 1.03 -0.30 1.25 0.00 -0.73 -2.12 119.26 119.82 2wdv h ALA 64 Ca 0.36 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2wdv h ALA 64 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wdv h ALA 64 CO -0.26 0.63 -0.48 -0.07 0.00 0.00 0.00 179.25 179.07 2wdv h LEU 65 N 0.20 0.95 -0.46 0.00 3.38 0.07 -1.03 115.31 118.42 2wdv h LEU 65 Ca 0.01 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.49 2wdv h LEU 65 Cb 0.90 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2wdv h LEU 65 CO 0.07 1.28 0.27 -0.26 0.09 0.00 0.00 178.44 179.89 2wdv h PHE 66 N 0.65 0.50 -0.79 1.13 0.04 -1.05 -0.32 116.94 117.09 2wdv h PHE 66 Ca 0.03 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.90 2wdv h PHE 66 Cb 1.09 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 39.01 2wdv h PHE 66 CO 0.07 0.28 0.45 0.77 -0.60 0.00 0.00 178.31 179.28 2wdv h SER 67 N 0.53 0.65 0.03 2.17 0.02 -1.09 -0.91 113.55 114.95 2wdv h SER 67 Ca 0.19 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 2wdv h SER 67 Cb 0.03 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2wdv h SER 67 CO -0.10 0.39 -0.38 0.40 -1.14 0.00 0.00 176.83 175.99 2wdv h ILE 68 N 0.78 1.30 -0.37 3.27 2.04 -0.64 0.16 117.51 124.05 2wdv h ILE 68 Ca 0.38 -1.52 0.08 0.00 1.00 0.00 0.00 64.86 64.79 2wdv h ILE 68 Cb 0.31 1.56 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 2wdv h ILE 68 CO -0.23 0.47 -0.13 0.25 0.00 0.00 0.00 178.15 178.51 2wdv h LEU 69 N 0.39 -0.46 0.14 1.44 5.85 0.28 -0.47 115.31 122.48 2wdv h LEU 69 Ca 0.04 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2wdv h LEU 69 Cb 0.85 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2wdv h LEU 69 CO 0.07 -0.17 -0.07 0.40 -0.34 0.00 0.00 178.44 178.34 2wdv h ILE 70 N -0.06 0.00 -0.56 4.05 2.04 -0.96 -2.88 117.51 119.15 2wdv h ILE 70 Ca 0.18 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.50 2wdv h ILE 70 Cb 0.33 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.32 2wdv h ILE 70 CO -0.41 0.00 -0.51 -0.74 0.00 0.00 0.00 178.15 176.49 2wdv h HIS 71 N -0.80 -1.54 -0.23 1.37 2.76 -0.76 -1.48 115.15 114.46 2wdv h HIS 71 Ca -0.02 0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 2wdv h HIS 71 Cb 0.15 0.75 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 2wdv h HIS 71 CO 0.01 -0.45 -0.02 0.00 -1.30 0.00 0.00 177.93 176.17 2wdv h ALA 72 N 0.32 1.53 0.03 5.26 0.00 -1.23 -1.11 119.26 124.06 2wdv h ALA 72 Ca 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wdv h ALA 72 Cb 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wdv h ALA 72 CO -0.68 0.34 -0.01 2.35 0.00 0.00 0.00 179.25 181.25 2wdv h TRP 73 N 0.34 -0.03 -0.10 0.00 -0.00 -1.07 0.12 115.95 115.21 2wdv h TRP 73 Ca 0.08 -0.00 0.03 0.00 -0.00 0.00 0.00 58.89 59.00 2wdv h TRP 73 Cb 0.27 0.01 -0.03 0.00 -0.00 0.00 0.00 29.16 29.41 2wdv h TRP 73 CO 0.01 0.38 -0.08 0.82 -0.00 0.00 0.00 178.44 179.57 2wdv h ILE 74 N -0.45 0.76 -0.06 2.65 2.04 -1.13 -0.01 117.51 121.31 2wdv h ILE 74 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2wdv h ILE 74 Cb 0.43 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 2wdv h ILE 74 CO 0.01 0.00 -0.25 1.23 0.00 0.00 0.00 178.15 179.14 2wdv h GLY 75 N -0.09 -0.33 1.54 5.37 0.00 -1.08 -1.06 103.07 107.42 2wdv h GLY 75 Ca 0.07 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 2wdv h GLY 75 CO -0.16 -0.20 0.22 -0.33 0.00 0.00 0.00 176.54 176.07 2wdv h MET 76 N -0.35 0.60 -0.79 4.80 2.86 -0.58 -1.66 114.93 119.81 2wdv h MET 76 Ca 0.08 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2wdv h MET 76 Cb 0.47 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2wdv h MET 76 CO -0.26 0.46 0.38 2.35 1.06 0.00 0.00 176.91 180.91 2wdv h TRP 77 N 0.61 1.13 -0.19 -0.22 7.01 0.02 -0.47 115.95 123.84 2wdv h TRP 77 Ca 0.16 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 2wdv h TRP 77 Cb 0.05 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.75 2wdv h TRP 77 CO 0.00 0.82 0.03 1.96 -2.79 0.00 0.00 178.44 178.47 2wdv h GLN 78 N 1.11 0.31 -0.16 2.65 4.20 -0.32 -1.18 115.11 121.72 2wdv h GLN 78 Ca 0.27 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.93 2wdv h GLN 78 Cb 0.11 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 2wdv h GLN 78 CO -0.04 0.47 -0.08 0.28 -0.67 0.00 0.00 178.83 178.80 2wdv h VAL 79 N 0.11 0.74 -0.22 -0.54 2.07 -1.20 -1.67 116.25 115.53 2wdv h VAL 79 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.60 2wdv h VAL 79 Cb 0.31 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2wdv h VAL 79 CO 0.00 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.57 2wdv h LEU 80 N -0.07 0.03 0.00 2.57 3.38 -0.96 -1.72 115.31 118.54 2wdv h LEU 80 Ca 0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wdv h LEU 80 Cb 0.20 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2wdv h LEU 80 CO -0.20 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.73 2wdv n THR 81 N -5.08 0.32 0.01 0.22 -2.24 -0.46 0.36 114.28 107.41 2wdv n THR 81 Ca -0.02 0.08 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 2wdv n THR 81 Cb 0.09 -0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 67.43 2wdv n THR 81 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2wdv h ASP 82 N 0.00 0.40 0.00 3.42 5.19 -0.46 -3.44 116.42 121.53 2wdv h ASP 82 Ca 0.00 -0.88 -0.27 0.00 -0.62 0.00 0.00 57.03 55.25 2wdv h ASP 82 Cb 0.14 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 39.47 2wdv h ASP 82 CO 0.00 1.76 -2.03 -1.22 -3.12 0.00 0.00 179.24 174.63 2wdv n TYR 83 N -3.71 0.00 -3.29 4.55 4.01 -0.79 -4.89 117.16 113.05 2wdv n TYR 83 Ca -0.29 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 56.99 2wdv n TYR 83 Cb 0.98 -0.74 -0.04 0.00 -0.31 0.00 0.00 39.34 39.23 2wdv n TYR 83 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wdv s VAL 84 N -2.36 5.23 -0.05 -0.72 1.01 0.16 -4.95 120.40 118.71 2wdv s VAL 84 Ca -0.10 -1.62 -0.21 0.00 0.00 0.00 0.00 61.98 60.06 2wdv s VAL 84 Cb 0.05 -4.39 -0.15 0.00 0.00 0.00 0.00 36.38 31.89 2wdv s VAL 84 CO 0.59 -0.94 0.85 0.11 0.00 0.00 0.00 175.10 175.71 2wdv h LYS 85 N 8.72 -0.21 -6.62 2.72 1.79 -1.90 -3.44 116.57 117.63 2wdv h LYS 85 Ca -0.22 0.01 -0.54 0.00 -2.18 0.00 0.00 60.65 57.73 2wdv h LYS 85 Cb 1.09 0.05 0.06 0.00 -1.58 0.00 0.00 32.23 31.84 2wdv h LYS 85 CO 1.00 0.21 0.95 -2.30 -1.08 0.00 0.00 179.45 178.23 2wdv n PRO 86 N -4.92 2.61 0.20 3.15 -0.02 -1.26 -4.88 135.00 129.88 2wdv n PRO 86 Ca -0.08 0.94 -0.15 0.00 -2.02 0.00 0.00 63.50 62.20 2wdv n PRO 86 Cb 0.26 -2.76 -0.07 0.00 -0.02 0.00 0.00 33.50 30.90 2wdv n PRO 86 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wdv h LEU 87 N 6.50 -0.50 -0.07 2.45 5.85 -2.00 -2.52 115.31 125.02 2wdv h LEU 87 Ca -0.44 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.35 2wdv h LEU 87 Cb 1.22 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 2wdv h LEU 87 CO 0.94 -0.32 -0.34 0.00 -0.34 0.00 0.00 178.44 178.38 2wdv h ALA 88 N 0.15 -0.46 -0.62 1.25 0.00 -1.99 -0.63 119.26 116.97 2wdv h ALA 88 Ca -0.03 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2wdv h ALA 88 Cb 0.42 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 2wdv h ALA 88 CO 0.03 -0.84 0.31 1.25 0.00 0.00 0.00 179.25 180.01 2wdv h LEU 89 N -0.45 0.42 -0.73 0.00 5.85 -1.94 -1.14 115.31 117.31 2wdv h LEU 89 Ca 0.08 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2wdv h LEU 89 Cb 0.57 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2wdv h LEU 89 CO -0.32 0.27 0.27 -0.09 -0.34 0.00 0.00 178.44 178.23 2wdv h ARG 90 N 0.57 1.11 -0.54 1.25 2.43 -0.96 -1.35 114.38 116.89 2wdv h ARG 90 Ca 0.29 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2wdv h ARG 90 Cb 0.24 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2wdv h ARG 90 CO -0.21 0.93 0.34 -0.07 -1.51 0.00 0.00 179.97 179.45 2wdv h LEU 91 N 1.07 0.58 -0.26 3.80 3.38 -0.25 -1.00 115.31 122.63 2wdv h LEU 91 Ca 0.24 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2wdv h LEU 91 Cb 0.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2wdv h LEU 91 CO -0.01 0.41 0.16 0.24 0.09 0.00 0.00 178.44 179.33 2wdv h MET 92 N 0.69 0.31 -0.83 1.13 2.86 -0.63 -0.76 114.93 117.71 2wdv h MET 92 Ca 0.20 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 2wdv h MET 92 Cb -0.04 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 2wdv h MET 92 CO -0.06 0.21 0.49 -0.07 1.06 0.00 0.00 176.91 178.53 2wdv h LEU 93 N 0.32 0.99 -0.85 1.22 3.38 -0.96 -1.37 115.31 118.05 2wdv h LEU 93 Ca 0.10 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2wdv h LEU 93 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2wdv h LEU 93 CO -0.04 0.77 0.02 1.56 0.09 0.00 0.00 178.44 180.85 2wdv h GLN 94 N 1.14 0.88 -0.01 1.13 4.20 -0.67 -0.87 115.11 120.91 2wdv h GLN 94 Ca 0.30 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2wdv h GLN 94 Cb -0.04 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 2wdv h GLN 94 CO -0.05 0.86 0.01 1.25 -0.67 0.00 0.00 178.83 180.23 2wdv h LEU 95 N 0.82 0.01 -0.40 1.46 5.85 -0.42 0.34 115.31 122.98 2wdv h LEU 95 Ca 0.16 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2wdv h LEU 95 Cb 0.46 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2wdv h LEU 95 CO 0.02 0.06 0.18 0.58 -0.34 0.00 0.00 178.44 178.94 2wdv h VAL 96 N -0.04 0.94 -0.37 1.05 2.07 -1.05 -0.73 116.25 118.13 2wdv h VAL 96 Ca 0.00 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2wdv h VAL 96 Cb 0.05 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2wdv h VAL 96 CO -0.00 0.07 0.12 0.40 0.02 0.00 0.00 177.57 178.18 2wdv h ILE 97 N 0.37 1.21 0.00 4.57 2.04 -0.97 0.05 117.51 124.78 2wdv h ILE 97 Ca 0.18 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2wdv h ILE 97 Cb 0.11 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2wdv h ILE 97 CO -0.14 0.23 -0.00 0.58 0.00 0.00 0.00 178.15 178.82 2wdv h VAL 98 N 0.45 1.21 -0.59 1.67 2.07 -0.72 -0.93 116.25 119.41 2wdv h VAL 98 Ca 0.12 -0.61 0.11 0.00 0.82 0.00 0.00 66.70 67.14 2wdv h VAL 98 Cb 0.24 1.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 2wdv h VAL 98 CO -0.00 0.16 0.10 0.58 0.02 0.00 0.00 177.57 178.42 2wdv h VAL 99 N -0.26 0.62 -0.52 2.57 2.07 -1.07 0.20 116.25 119.86 2wdv h VAL 99 Ca -0.00 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.53 2wdv h VAL 99 Cb 0.26 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 2wdv h VAL 99 CO 0.00 0.04 0.13 0.00 0.02 0.00 0.00 177.57 177.76 2wdv h ALA 100 N 1.48 0.62 -0.59 1.67 0.00 -0.80 0.12 119.26 121.76 2wdv h ALA 100 Ca 0.31 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2wdv h ALA 100 Cb 0.46 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2wdv h ALA 100 CO -0.42 -0.28 0.01 -0.07 0.00 0.00 0.00 179.25 178.50 2wdv h LEU 101 N 0.28 1.01 -0.47 0.00 3.38 0.42 -1.08 115.31 118.84 2wdv h LEU 101 Ca 0.26 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2wdv h LEU 101 Cb 0.34 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2wdv h LEU 101 CO -0.32 1.06 0.14 0.58 0.09 0.00 0.00 178.44 179.99 2wdv h VAL 102 N 0.92 1.23 -0.36 1.22 2.07 -0.33 -2.90 116.25 118.11 2wdv h VAL 102 Ca 0.17 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 66.99 2wdv h VAL 102 Cb 0.54 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 2wdv h VAL 102 CO 0.03 0.28 -0.11 0.58 0.02 0.00 0.00 177.57 178.36 2wdv h VAL 103 N 0.63 0.59 -0.66 2.57 2.07 -0.43 -0.78 116.25 120.24 2wdv h VAL 103 Ca 0.15 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.81 2wdv h VAL 103 Cb 0.29 0.59 -0.12 0.00 -1.52 0.00 0.00 31.29 30.52 2wdv h VAL 103 CO -0.00 0.00 -0.14 1.88 0.02 0.00 0.00 177.57 179.32 2wdv h TYR 104 N -0.03 -0.31 -0.39 1.57 -1.99 -1.01 0.56 116.97 115.36 2wdv h TYR 104 Ca 0.18 0.06 -0.12 0.00 2.00 0.00 0.00 58.73 60.84 2wdv h TYR 104 Cb 0.30 0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 2wdv h TYR 104 CO -0.35 -0.27 -0.23 0.28 -0.00 0.00 0.00 178.16 177.59 2wdv h VAL 105 N 0.01 1.28 -0.61 -2.88 2.07 -1.21 -0.17 116.25 114.75 2wdv h VAL 105 Ca 0.32 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.38 2wdv h VAL 105 Cb 0.50 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2wdv h VAL 105 CO -0.67 0.46 0.03 0.40 0.02 0.00 0.00 177.57 177.81 2wdv h ILE 106 N 0.64 1.26 -0.25 4.57 2.04 -0.42 -0.83 117.51 124.53 2wdv h ILE 106 Ca 0.08 -1.11 -0.12 0.00 1.00 0.00 0.00 64.86 64.71 2wdv h ILE 106 Cb 0.80 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2wdv h ILE 106 CO 0.07 0.40 -0.36 0.22 0.00 0.00 0.00 178.15 178.48 2wdv h TYR 107 N 0.95 0.64 -0.64 1.37 3.20 0.23 -1.10 116.97 121.62 2wdv h TYR 107 Ca 0.18 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2wdv h TYR 107 Cb 0.52 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 2wdv h TYR 107 CO 0.04 0.84 0.39 0.78 -1.64 0.00 0.00 178.16 178.56 2wdv h GLY 108 N 1.05 0.93 1.66 1.82 0.00 -0.81 -0.33 103.07 107.39 2wdv h GLY 108 Ca 0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2wdv h GLY 108 CO 0.07 0.37 0.20 0.74 0.00 0.00 0.00 176.54 177.93 2wdv h PHE 109 N 0.87 0.44 0.06 5.60 -1.00 -0.43 -1.22 116.94 121.26 2wdv h PHE 109 Ca 0.23 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.77 2wdv h PHE 109 Cb -0.03 -0.15 0.01 0.00 3.61 0.00 0.00 35.95 39.39 2wdv h PHE 109 CO -0.02 0.30 -1.07 0.28 -1.61 0.00 0.00 178.31 176.19 2wdv h VAL 110 N 0.47 1.42 0.01 -0.55 2.07 -0.78 -3.07 116.25 115.82 2wdv h VAL 110 Ca 0.12 -2.64 -0.00 0.00 0.82 0.00 0.00 66.70 65.00 2wdv h VAL 110 Cb -0.01 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2wdv h VAL 110 CO -0.02 0.78 -0.01 0.58 0.02 0.00 0.00 177.57 178.93 2wdv h VAL 111 N 0.18 1.41 0.16 2.57 2.07 -0.61 -3.29 116.25 118.75 2wdv h VAL 111 Ca -0.11 -1.29 -0.35 0.00 0.82 0.00 0.00 66.70 65.77 2wdv h VAL 111 Cb 1.74 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 33.79 2wdv h VAL 111 CO 0.18 0.33 -1.79 -0.37 0.02 0.00 0.00 177.57 175.95 2wdv h VAL 112 N -0.58 0.88 0.00 2.57 -1.51 -1.39 -3.19 116.25 113.03 2wdv h VAL 112 Ca -0.00 -2.51 0.00 0.00 -1.23 0.00 0.00 66.70 62.96 2wdv h VAL 112 Cb 0.56 2.69 0.00 0.00 -2.13 0.00 0.00 31.29 32.41 2wdv h VAL 112 CO 0.00 0.86 0.00 0.79 -1.23 0.00 0.00 177.57 177.99 2wdv n TRP 113 N -3.53 0.00 -0.84 5.19 5.03 -1.16 -1.87 117.44 120.25 2wdv n TRP 113 Ca -0.25 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.30 2wdv n TRP 113 Cb 1.07 -0.04 0.03 0.00 -1.03 0.00 0.00 31.31 31.33 2wdv n TRP 113 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2wdv n GLY 114 N 0.17 1.10 0.00 6.99 0.00 -1.21 -4.99 105.19 107.25 2wdv n GLY 114 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2wdv n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70