#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwh s VAL 2 N 0.00 4.89 0.56 3.15 1.01 -1.26 -1.74 120.40 127.02 1bwh s VAL 2 Ca 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1bwh s VAL 2 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1bwh s VAL 2 CO 0.00 -0.10 1.02 -0.36 0.00 0.00 0.00 175.10 175.66 1bwh s PHE 3 N 1.64 3.30 0.39 5.22 0.40 -0.12 -5.00 117.98 123.81 1bwh s PHE 3 Ca 0.04 1.46 -0.04 0.00 -0.60 0.00 0.00 56.93 57.79 1bwh s PHE 3 Cb -0.18 -2.86 -0.04 0.00 0.51 0.00 0.00 43.02 40.45 1bwh s PHE 3 CO 0.08 -0.71 0.66 0.20 0.70 0.00 0.00 175.22 176.15 1bwh s GLY 4 N -3.14 1.58 0.12 4.36 0.00 -1.26 -4.86 107.32 104.11 1bwh s GLY 4 Ca 0.60 -0.61 -0.27 0.00 0.00 0.00 0.00 44.72 44.44 1bwh s GLY 4 CO 0.37 -0.49 1.63 -0.09 0.00 0.00 0.00 173.10 174.52 1bwh h ARG 5 N 0.83 -0.42 -0.15 2.90 2.43 -1.97 -1.08 114.38 116.91 1bwh h ARG 5 Ca -0.48 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.59 1bwh h ARG 5 Cb 1.20 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1bwh h ARG 5 CO 0.63 -0.28 -0.47 0.00 -1.51 0.00 0.00 179.97 178.33 1bwh h GLU 7 N 0.30 0.83 -0.38 0.00 4.81 -1.90 -1.40 114.58 116.84 1bwh h GLU 7 Ca 0.02 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 1bwh h GLU 7 Cb 0.94 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1bwh h GLU 7 CO 0.08 0.68 -0.13 1.25 -0.73 0.00 0.00 179.01 180.16 1bwh h LEU 8 N 0.78 0.77 -0.35 1.64 5.85 -1.10 -1.96 115.31 120.95 1bwh h LEU 8 Ca 0.20 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.60 1bwh h LEU 8 Cb 0.13 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 1bwh h LEU 8 CO -0.02 0.97 -0.03 0.00 -0.34 0.00 0.00 178.44 179.02 1bwh h ALA 9 N 0.82 0.29 -0.66 1.25 0.00 -1.11 0.94 119.26 120.78 1bwh h ALA 9 Ca 0.09 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1bwh h ALA 9 Cb 0.66 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1bwh h ALA 9 CO 0.04 -0.42 0.32 0.00 0.00 0.00 0.00 179.25 179.19 1bwh h ALA 10 N 1.32 0.86 -0.64 0.00 0.00 -1.17 0.43 119.26 120.06 1bwh h ALA 10 Ca 0.17 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1bwh h ALA 10 Cb 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1bwh h ALA 10 CO -0.31 0.42 0.15 0.00 0.00 0.00 0.00 179.25 179.51 1bwh h ALA 11 N 1.15 0.85 -0.34 0.00 0.00 -0.77 -0.97 119.26 119.18 1bwh h ALA 11 Ca 0.23 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1bwh h ALA 11 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1bwh h ALA 11 CO -0.03 0.57 -0.41 0.52 0.00 0.00 0.00 179.25 179.90 1bwh h MET 12 N 0.95 0.83 0.02 0.00 2.86 -0.55 -2.39 114.93 116.65 1bwh h MET 12 Ca 0.20 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1bwh h MET 12 Cb 0.37 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1bwh h MET 12 CO 0.00 1.08 -0.01 -0.22 1.06 0.00 0.00 176.91 178.82 1bwh h LYS 13 N 0.67 -0.02 -0.16 1.72 3.64 -0.64 -1.81 116.57 119.97 1bwh h LYS 13 Ca 0.05 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1bwh h LYS 13 Cb 0.98 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1bwh h LYS 13 CO 0.09 0.02 0.12 -0.09 -2.27 0.00 0.00 179.45 177.32 1bwh h ARG 14 N -0.05 0.00 -0.38 1.90 2.43 -1.12 -0.16 114.38 117.00 1bwh h ARG 14 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bwh h ARG 14 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1bwh h ARG 14 CO 0.00 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.18 1bwh n HIS 15 N -4.40 0.48 -1.00 2.20 8.25 -0.75 -4.93 115.22 115.07 1bwh n HIS 15 Ca 0.01 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1bwh n HIS 15 Cb 0.25 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1bwh n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bwh n GLY 16 N 0.93 0.40 0.18 -1.41 0.00 -0.07 -4.97 105.19 100.25 1bwh n GLY 16 Ca 0.11 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.33 1bwh n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bwh h LEU 17 N 0.00 0.00 -9.13 0.99 3.38 -1.51 -3.40 115.31 105.65 1bwh h LEU 17 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1bwh h LEU 17 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1bwh h LEU 17 CO 0.00 0.16 1.27 -0.62 0.09 0.00 0.00 178.44 179.35 1bwh s ASP 18 N -6.13 6.12 -1.01 -0.43 2.15 -1.26 -1.87 116.67 114.24 1bwh s ASP 18 Ca 0.05 2.05 0.00 0.00 0.43 0.00 0.00 52.55 55.08 1bwh s ASP 18 Cb 0.06 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1bwh s ASP 18 CO 0.71 -1.41 0.00 0.59 -0.17 0.00 0.00 175.17 174.90 1bwh n ASN 19 N 9.15 -4.41 -4.68 -0.34 3.02 0.05 -4.88 115.26 113.17 1bwh n ASN 19 Ca 0.23 0.23 -0.42 0.00 -0.03 0.00 0.00 54.58 54.59 1bwh n ASN 19 Cb 0.44 -2.75 -0.03 0.00 -0.61 0.00 0.00 39.78 36.83 1bwh n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bwh s TYR 20 N -2.26 2.38 -1.85 3.10 5.04 -0.78 -1.49 117.35 121.50 1bwh s TYR 20 Ca 0.00 0.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 1bwh s TYR 20 Cb 0.00 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 38.47 1bwh s TYR 20 CO 0.00 -3.36 0.00 0.54 -1.34 0.00 0.00 175.55 171.39 1bwh n ARG 21 N 6.20 -1.65 -0.71 4.97 5.12 -1.26 -1.89 116.66 127.43 1bwh n ARG 21 Ca 0.16 1.04 0.00 0.00 -1.93 0.00 0.00 57.85 57.11 1bwh n ARG 21 Cb 0.42 -5.62 0.00 0.00 -1.16 0.00 0.00 32.46 26.10 1bwh n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bwh n GLY 22 N -0.82 0.75 3.48 -0.13 0.00 -0.55 -5.03 105.19 102.89 1bwh n GLY 22 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1bwh n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bwh s TYR 23 N -2.73 3.22 0.93 1.61 2.02 -0.79 -4.89 117.35 116.71 1bwh s TYR 23 Ca 0.00 -0.43 -0.10 0.00 -0.37 0.00 0.00 57.07 56.16 1bwh s TYR 23 Cb 0.00 -2.66 0.13 0.00 -0.40 0.00 0.00 41.96 39.03 1bwh s TYR 23 CO 0.00 -0.57 1.02 -1.13 -1.57 0.00 0.00 175.55 173.29 1bwh n SER 24 N 5.28 -0.10 -0.35 2.29 3.41 -1.26 -0.77 113.62 122.12 1bwh n SER 24 Ca -0.10 0.40 0.11 0.00 -0.26 0.00 0.00 58.87 59.02 1bwh n SER 24 Cb 0.48 -1.43 0.29 0.00 -0.26 0.00 0.00 64.21 63.28 1bwh n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1bwh h LEU 25 N -1.85 0.80 -1.53 1.04 5.85 -1.90 -1.46 115.31 116.26 1bwh h LEU 25 Ca -0.43 0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.54 1bwh h LEU 25 Cb 1.27 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 1bwh h LEU 25 CO 0.40 0.33 0.55 1.23 -0.34 0.00 0.00 178.44 180.61 1bwh h GLY 26 N 0.82 0.81 0.92 3.75 0.00 -1.91 -1.88 103.07 105.58 1bwh h GLY 26 Ca 0.54 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 1bwh h GLY 26 CO -0.35 0.04 0.01 3.43 0.00 0.00 0.00 176.54 179.67 1bwh h ASN 27 N 0.44 0.60 -0.41 0.19 2.35 -1.49 -1.64 115.58 115.62 1bwh h ASN 27 Ca 0.42 -0.30 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 1bwh h ASN 27 Cb 0.96 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1bwh h ASN 27 CO -0.15 0.76 -0.16 -0.50 -1.65 0.00 0.00 177.43 175.73 1bwh h TRP 28 N 0.43 1.01 -0.37 1.19 4.06 -1.44 -0.78 115.95 120.04 1bwh h TRP 28 Ca 0.10 -0.21 -0.15 0.00 2.06 0.00 0.00 58.89 60.69 1bwh h TRP 28 Cb 0.44 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 1bwh h TRP 28 CO 0.04 0.98 -0.36 0.28 -3.56 0.00 0.00 178.44 175.82 1bwh h VAL 29 N 0.79 1.28 -0.49 1.49 2.07 -1.38 -1.78 116.25 118.23 1bwh h VAL 29 Ca 0.12 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 1bwh h VAL 29 Cb 0.69 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1bwh h VAL 29 CO 0.05 0.51 0.14 0.00 0.02 0.00 0.00 177.57 178.29 1bwh h ALA 31 N 1.00 0.31 -0.76 0.00 0.00 -1.04 -2.25 119.26 116.54 1bwh h ALA 31 Ca 0.16 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1bwh h ALA 31 Cb 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1bwh h ALA 31 CO -0.00 -0.19 0.49 0.00 0.00 0.00 0.00 179.25 179.55 1bwh h ALA 32 N 1.06 0.96 0.02 0.00 0.00 -1.17 0.16 119.26 120.29 1bwh h ALA 32 Ca 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1bwh h ALA 32 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1bwh h ALA 32 CO -0.02 0.38 -0.16 -0.22 0.00 0.00 0.00 179.25 179.23 1bwh h LYS 33 N 1.03 -0.27 0.00 0.00 1.63 -0.84 -1.33 116.57 116.78 1bwh h LYS 33 Ca 0.28 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1bwh h LYS 33 Cb -0.11 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1bwh h LYS 33 CO -0.06 -0.18 -0.19 0.74 -3.45 0.00 0.00 179.45 176.31 1bwh h PHE 34 N -0.28 0.00 0.19 1.91 0.04 -1.24 0.48 116.94 118.05 1bwh h PHE 34 Ca 0.05 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.49 1bwh h PHE 34 Cb 0.34 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.50 1bwh h PHE 34 CO -0.21 0.00 -1.55 0.93 -0.60 0.00 0.00 178.31 176.88 1bwh h GLU 35 N 0.00 0.40 0.00 1.51 4.39 -0.52 -3.43 114.58 116.93 1bwh h GLU 35 Ca 0.00 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1bwh h GLU 35 Cb 0.92 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1bwh h GLU 35 CO 0.00 1.33 0.00 -1.13 -1.16 0.00 0.00 179.01 178.05 1bwh n SER 36 N -3.73 0.27 -2.98 1.42 3.41 -0.53 -4.83 113.62 106.66 1bwh n SER 36 Ca -0.22 -1.03 -0.22 0.00 -0.26 0.00 0.00 58.87 57.14 1bwh n SER 36 Cb 1.03 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 65.02 1bwh n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bwh n ASN 37 N -0.02 -6.05 -0.92 4.04 5.15 0.16 -2.01 115.26 115.60 1bwh n ASN 37 Ca 0.00 -0.30 -0.12 0.00 -0.60 0.00 0.00 54.58 53.56 1bwh n ASN 37 Cb 0.22 -4.85 -0.05 0.00 -0.53 0.00 0.00 39.78 34.57 1bwh n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1bwh n PHE 38 N -4.54 0.00 -3.59 1.20 3.72 -1.21 -4.84 117.46 108.21 1bwh n PHE 38 Ca -0.10 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.91 1bwh n PHE 38 Cb 0.61 -2.33 -0.11 0.00 -0.94 0.00 0.00 39.48 36.71 1bwh n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1bwh s ASN 39 N -2.74 5.86 0.58 4.37 2.47 -0.85 -0.94 114.94 123.68 1bwh s ASN 39 Ca 0.00 -0.40 0.35 0.00 0.42 0.00 0.00 52.86 53.23 1bwh s ASN 39 Cb 0.00 -2.09 1.75 0.00 -1.45 0.00 0.00 41.25 39.47 1bwh s ASN 39 CO 0.00 -0.19 2.15 0.71 -3.72 0.00 0.00 177.10 176.05 1bwh h THR 40 N 5.53 0.23 -0.21 -5.21 1.35 -1.65 -2.95 112.91 110.01 1bwh h THR 40 Ca -0.32 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1bwh h THR 40 Cb 1.16 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1bwh h THR 40 CO 0.61 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.93 1bwh n GLN 41 N -3.32 1.89 -2.04 4.72 6.02 -1.26 -3.98 117.38 119.41 1bwh n GLN 41 Ca -0.02 -1.34 -0.41 0.00 -0.01 0.00 0.00 57.00 55.22 1bwh n GLN 41 Cb 0.20 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 1bwh n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bwh s ALA 42 N -1.73 3.63 0.02 -1.58 0.00 -1.11 -4.82 121.76 116.17 1bwh s ALA 42 Ca 0.33 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.60 1bwh s ALA 42 Cb 0.18 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1bwh s ALA 42 CO 0.27 -0.71 -0.05 0.95 0.00 0.00 0.00 175.76 176.21 1bwh s THR 43 N 0.23 0.34 -0.10 0.00 -4.23 -1.26 -0.68 115.64 109.93 1bwh s THR 43 Ca 0.61 -0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 60.35 1bwh s THR 43 Cb -0.41 -0.39 0.04 0.00 1.34 0.00 0.00 72.50 73.08 1bwh s THR 43 CO 0.40 -0.25 0.25 0.20 -0.54 0.00 0.00 174.62 174.68 1bwh s ASN 44 N -1.02 -0.27 0.02 3.99 -0.87 -0.71 -4.96 114.94 111.12 1bwh s ASN 44 Ca -0.08 0.53 -0.22 0.00 -1.57 0.00 0.00 52.86 51.52 1bwh s ASN 44 Cb -0.07 0.43 -0.06 0.00 -0.02 0.00 0.00 41.25 41.54 1bwh s ASN 44 CO -0.00 -0.15 0.64 -0.60 -2.57 0.00 0.00 177.10 174.42 1bwh s ARG 45 N 1.06 4.36 0.24 -0.60 6.06 -1.26 -0.49 118.95 128.32 1bwh s ARG 45 Ca -0.08 0.82 0.05 0.00 -2.50 0.00 0.00 55.73 54.03 1bwh s ARG 45 Cb -0.09 -3.34 -0.03 0.00 0.06 0.00 0.00 34.95 31.55 1bwh s ARG 45 CO -0.07 0.38 0.32 -0.80 -2.50 0.00 0.00 175.30 172.62 1bwh s ASN 46 N -0.26 6.12 0.50 -2.12 0.02 -0.08 -4.99 114.94 114.13 1bwh s ASN 46 Ca 0.33 -0.01 0.17 0.00 -1.02 0.00 0.00 52.86 52.33 1bwh s ASN 46 Cb -0.19 -1.75 1.23 0.00 0.02 0.00 0.00 41.25 40.56 1bwh s ASN 46 CO 0.19 -0.06 2.07 0.71 0.02 0.00 0.00 177.10 180.03 1bwh h THR 47 N 1.26 0.92 0.00 1.60 1.35 -1.98 -1.51 112.91 114.54 1bwh h THR 47 Ca -0.51 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1bwh h THR 47 Cb 1.23 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1bwh h THR 47 CO 0.61 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 1bwh n ASP 48 N -4.47 0.00 0.00 5.36 5.75 -1.26 -4.89 116.55 117.04 1bwh n ASP 48 Ca 0.03 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 1bwh n ASP 48 Cb 0.29 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1bwh n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bwh n GLY 49 N 0.71 3.03 3.86 6.12 0.00 -0.57 -5.06 105.19 113.27 1bwh n GLY 49 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1bwh n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bwh s SER 50 N -1.19 5.01 0.04 1.61 1.04 -1.26 -4.80 113.70 114.15 1bwh s SER 50 Ca 0.00 1.16 0.05 0.00 0.48 0.00 0.00 55.95 57.64 1bwh s SER 50 Cb 0.00 -1.90 -0.02 0.00 0.10 0.00 0.00 66.02 64.20 1bwh s SER 50 CO 0.00 -1.62 -0.15 -0.89 0.98 0.00 0.00 173.24 171.56 1bwh s THR 51 N -3.31 1.18 -0.14 2.02 2.01 -1.26 -0.90 115.64 115.24 1bwh s THR 51 Ca 0.59 -1.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 1bwh s THR 51 Cb -0.12 -1.06 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 1bwh s THR 51 CO 0.52 0.04 0.21 -1.81 -0.69 0.00 0.00 174.62 172.90 1bwh s ASP 52 N -1.11 6.39 -0.00 3.53 1.01 0.36 -1.44 116.67 125.41 1bwh s ASP 52 Ca 0.02 0.46 0.06 0.00 0.71 0.00 0.00 52.55 53.81 1bwh s ASP 52 Cb -0.08 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1bwh s ASP 52 CO 0.01 0.24 -0.20 -0.31 0.21 0.00 0.00 175.17 175.12 1bwh s TYR 53 N -0.17 1.79 0.02 4.23 1.51 0.22 -1.73 117.35 123.21 1bwh s TYR 53 Ca 0.14 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1bwh s TYR 53 Cb -0.12 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1bwh s TYR 53 CO 0.03 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.88 1bwh n GLY 54 N 2.44 -1.99 0.38 0.71 0.00 0.14 -1.53 105.19 105.34 1bwh n GLY 54 Ca -0.15 -1.39 0.19 0.00 0.00 0.00 0.00 46.02 44.67 1bwh n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bwh h ILE 55 N -0.08 0.57 -0.40 -0.61 6.09 -1.70 -0.29 117.51 121.09 1bwh h ILE 55 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 1bwh h ILE 55 Cb 0.08 0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.38 1bwh h ILE 55 CO 0.00 0.10 0.00 0.18 -3.07 0.00 0.00 178.15 175.36 1bwh n LEU 56 N -4.72 3.48 -3.94 2.19 4.77 -1.26 -3.98 117.00 113.54 1bwh n LEU 56 Ca 0.25 -2.29 -0.35 0.00 -0.03 0.00 0.00 56.01 53.59 1bwh n LEU 56 Cb 0.76 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1bwh n LEU 56 CO 0.22 0.75 -0.18 0.00 -1.33 0.00 0.00 177.39 176.85 1bwh n GLN 57 N 0.46 -1.27 -2.48 3.23 1.13 -0.12 -4.91 117.38 113.42 1bwh n GLN 57 Ca 0.17 0.28 -0.41 0.00 -1.94 0.00 0.00 57.00 55.09 1bwh n GLN 57 Cb 0.61 -3.61 -0.04 0.00 0.11 0.00 0.00 30.24 27.32 1bwh n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bwh s ILE 58 N -3.69 3.82 0.13 5.09 1.01 -0.58 -4.39 121.20 122.60 1bwh s ILE 58 Ca 0.34 1.55 -0.27 0.00 0.00 0.00 0.00 60.65 62.27 1bwh s ILE 58 Cb -0.15 -3.99 -0.07 0.00 0.01 0.00 0.00 42.46 38.26 1bwh s ILE 58 CO 0.92 0.26 0.83 0.21 0.00 0.00 0.00 174.94 177.15 1bwh s ASN 59 N -0.00 7.39 0.34 3.58 3.84 -1.26 -0.61 114.94 128.22 1bwh s ASN 59 Ca 0.50 1.65 0.26 0.00 0.21 0.00 0.00 52.86 55.49 1bwh s ASN 59 Cb -0.30 -2.52 0.87 0.00 -0.55 0.00 0.00 41.25 38.75 1bwh s ASN 59 CO 0.35 0.10 1.77 0.77 -2.79 0.00 0.00 177.10 177.30 1bwh h SER 60 N 4.90 0.00 0.05 -4.21 4.64 -1.48 -1.65 113.55 115.80 1bwh h SER 60 Ca -0.45 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.78 1bwh h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1bwh h SER 60 CO 0.69 0.00 -0.26 -0.09 -0.87 0.00 0.00 176.83 176.29 1bwh h ARG 61 N 0.00 0.35 0.00 4.77 9.65 -1.84 -3.39 114.38 123.91 1bwh h ARG 61 Ca 0.00 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1bwh h ARG 61 Cb 0.65 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 1bwh h ARG 61 CO 0.00 0.59 -0.87 0.91 2.80 0.00 0.00 179.97 183.40 1bwh n TRP 62 N -4.13 0.00 -0.09 2.20 7.02 -1.22 -1.19 117.44 120.03 1bwh n TRP 62 Ca -0.01 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1bwh n TRP 62 Cb 0.39 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.14 1bwh n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1bwh n TRP 63 N -1.89 0.00 -4.06 -5.99 7.02 -0.62 -1.22 117.44 110.67 1bwh n TRP 63 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1bwh n TRP 63 Cb 0.44 -0.88 -0.09 0.00 -2.42 0.00 0.00 31.31 28.35 1bwh n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bwh s ASN 65 N -2.95 5.58 0.00 0.00 2.47 -0.57 -4.54 114.94 114.93 1bwh s ASN 65 Ca 0.12 -0.04 0.02 0.00 0.42 0.00 0.00 52.86 53.39 1bwh s ASN 65 Cb 0.07 -2.00 0.06 0.00 -1.45 0.00 0.00 41.25 37.94 1bwh s ASN 65 CO -0.06 0.04 1.03 -0.90 -3.72 0.00 0.00 177.10 173.49 1bwh n ASP 66 N 4.42 2.16 0.00 -4.21 5.68 -1.26 -1.05 116.55 122.29 1bwh n ASP 66 Ca -0.16 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 1bwh n ASP 66 Cb 0.52 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1bwh n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bwh n GLY 67 N -0.27 0.29 0.35 6.12 0.00 -1.26 -4.77 105.19 105.65 1bwh n GLY 67 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1bwh n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bwh n ARG 68 N -1.38 0.37 -3.94 1.61 1.85 -1.26 -4.96 116.66 108.96 1bwh n ARG 68 Ca 0.00 -1.33 -0.30 0.00 -1.00 0.00 0.00 57.85 55.22 1bwh n ARG 68 Cb 0.13 -0.74 -0.14 0.00 -1.05 0.00 0.00 32.46 30.66 1bwh n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1bwh s THR 69 N -0.68 2.40 0.34 8.89 2.01 -1.26 -4.92 115.64 122.42 1bwh s THR 69 Ca 0.07 -3.04 -0.29 0.00 0.31 0.00 0.00 61.69 58.74 1bwh s THR 69 Cb 0.06 -2.69 -0.12 0.00 0.01 0.00 0.00 72.50 69.77 1bwh s THR 69 CO 0.01 -0.77 1.47 -0.81 -0.69 0.00 0.00 174.62 173.83 1bwh n PRO 70 N 3.39 2.54 -1.08 4.92 -0.04 -1.26 -2.76 135.00 140.70 1bwh n PRO 70 Ca 0.05 0.89 -0.03 0.00 -0.04 0.00 0.00 63.50 64.37 1bwh n PRO 70 Cb 0.34 -2.60 -0.01 0.00 -0.04 0.00 0.00 33.50 31.19 1bwh n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bwh n GLY 71 N 1.09 0.53 3.85 0.55 0.00 -1.26 -5.00 105.19 104.95 1bwh n GLY 71 Ca 0.05 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1bwh n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bwh s SER 72 N -2.27 6.66 -0.02 1.61 1.04 -1.11 -5.06 113.70 114.55 1bwh s SER 72 Ca 0.00 1.46 -0.02 0.00 0.48 0.00 0.00 55.95 57.87 1bwh s SER 72 Cb 0.00 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 1bwh s SER 72 CO 0.00 -0.48 0.13 -0.13 0.98 0.00 0.00 173.24 173.74 1bwh s ARG 73 N -3.80 3.28 -0.82 4.02 0.52 -0.34 -4.99 118.95 116.83 1bwh s ARG 73 Ca 0.57 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.43 1bwh s ARG 73 Cb -0.10 -3.01 0.30 0.00 0.52 0.00 0.00 34.95 32.66 1bwh s ARG 73 CO 0.28 0.68 1.19 -1.71 0.02 0.00 0.00 175.30 175.75 1bwh n ASN 74 N 1.17 5.32 0.26 0.23 5.15 -1.25 -3.36 115.26 122.78 1bwh n ASN 74 Ca -0.13 -3.53 0.14 0.00 -0.60 0.00 0.00 54.58 50.45 1bwh n ASN 74 Cb 0.53 -0.90 0.82 0.00 -0.53 0.00 0.00 39.78 39.69 1bwh n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bwh h LEU 75 N 4.28 0.00 -1.14 1.20 3.38 -1.20 -1.12 115.31 120.71 1bwh h LEU 75 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1bwh h LEU 75 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1bwh h LEU 75 CO 1.04 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 179.52 1bwh n ASN 77 N 0.35 -1.50 -3.69 0.00 3.02 -0.43 -4.99 115.26 108.02 1bwh n ASN 77 Ca 0.17 -0.86 -0.12 0.00 -0.03 0.00 0.00 54.58 53.73 1bwh n ASN 77 Cb 0.42 -3.87 -0.06 0.00 -0.61 0.00 0.00 39.78 35.65 1bwh n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1bwh s ILE 78 N -3.70 0.06 0.32 2.41 -4.36 -1.26 -5.08 121.20 109.60 1bwh s ILE 78 Ca 0.05 -0.53 -0.27 0.00 -0.26 0.00 0.00 60.65 59.64 1bwh s ILE 78 Cb -0.02 -0.97 -0.09 0.00 1.25 0.00 0.00 42.46 42.63 1bwh s ILE 78 CO 0.83 -0.29 1.05 -2.84 0.24 0.00 0.00 174.94 173.92 1bwh s PRO 79 N -2.63 4.51 0.56 0.37 0.02 -1.26 -1.51 135.00 135.05 1bwh s PRO 79 Ca -0.04 1.63 0.25 0.00 0.02 0.00 0.00 61.00 62.85 1bwh s PRO 79 Cb -0.00 -2.96 1.55 0.00 0.02 0.00 0.00 34.50 33.11 1bwh s PRO 79 CO -0.04 0.14 2.13 0.00 -0.33 0.00 0.00 177.00 178.91 1bwh h SER 81 N 0.00 0.00 0.25 0.00 4.64 -1.91 -1.16 113.55 115.37 1bwh h SER 81 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1bwh h SER 81 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1bwh h SER 81 CO -0.00 0.08 -0.08 0.00 -0.87 0.00 0.00 176.83 175.96 1bwh h ALA 82 N 1.92 1.36 0.00 5.18 0.00 -1.66 -1.84 119.26 124.21 1bwh h ALA 82 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1bwh h ALA 82 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1bwh h ALA 82 CO 0.01 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1bwh n LEU 83 N -3.71 0.00 -1.05 0.00 4.77 -0.44 -3.23 117.00 113.35 1bwh n LEU 83 Ca -0.02 0.25 0.12 0.00 -0.03 0.00 0.00 56.01 56.33 1bwh n LEU 83 Cb 0.19 -0.25 0.15 0.00 -2.33 0.00 0.00 43.42 41.18 1bwh n LEU 83 CO 0.29 -0.01 0.66 0.18 -1.33 0.00 0.00 177.39 177.19 1bwh n LEU 84 N -1.25 3.21 -4.75 2.23 4.77 -0.69 -3.99 117.00 116.54 1bwh n LEU 84 Ca 0.15 -1.24 -0.34 0.00 -0.03 0.00 0.00 56.01 54.56 1bwh n LEU 84 Cb 0.22 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1bwh n LEU 84 CO 0.22 0.61 0.77 -0.55 -1.33 0.00 0.00 177.39 177.11 1bwh s SER 85 N -1.75 4.69 0.52 -1.43 0.15 -1.20 -4.13 113.70 110.55 1bwh s SER 85 Ca 0.33 2.16 0.31 0.00 0.70 0.00 0.00 55.95 59.45 1bwh s SER 85 Cb 0.21 -2.57 1.14 0.00 -1.71 0.00 0.00 66.02 63.10 1bwh s SER 85 CO 0.31 -1.92 1.90 0.77 1.20 0.00 0.00 173.24 175.50 1bwh h SER 86 N -0.11 0.00 -3.56 5.45 4.64 -1.93 -3.39 113.55 114.64 1bwh h SER 86 Ca -0.47 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.22 1bwh h SER 86 Cb 1.27 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.23 1bwh h SER 86 CO 0.52 0.00 0.14 -0.62 -0.87 0.00 0.00 176.83 176.00 1bwh s ASP 87 N -5.75 6.44 0.00 4.97 -1.08 -1.26 -4.95 116.67 115.04 1bwh s ASP 87 Ca 0.03 0.20 0.26 0.00 -0.52 0.00 0.00 52.55 52.51 1bwh s ASP 87 Cb 0.08 -2.33 1.54 0.00 -1.46 0.00 0.00 42.92 40.76 1bwh s ASP 87 CO 0.57 -0.57 1.94 2.30 0.52 0.00 0.00 175.17 179.93 1bwh n ILE 88 N 5.55 0.00 -0.18 4.11 -5.35 -1.26 -4.34 119.36 117.88 1bwh n ILE 88 Ca -0.01 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.41 1bwh n ILE 88 Cb 0.49 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1bwh n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1bwh h THR 89 N 0.00 0.20 -0.61 7.28 2.02 -1.94 -0.11 112.91 119.75 1bwh h THR 89 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1bwh h THR 89 Cb 0.00 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.57 1bwh h THR 89 CO 0.00 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.26 1bwh h ALA 90 N 0.98 0.80 -0.49 6.16 0.00 -1.87 -0.20 119.26 124.64 1bwh h ALA 90 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1bwh h ALA 90 Cb 0.54 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1bwh h ALA 90 CO -0.64 0.11 0.23 0.77 0.00 0.00 0.00 179.25 179.72 1bwh h SER 91 N 0.73 0.65 -0.06 0.00 0.02 -1.65 -1.95 113.55 111.29 1bwh h SER 91 Ca 0.25 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1bwh h SER 91 Cb 0.03 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1bwh h SER 91 CO -0.11 0.60 0.03 0.58 -1.14 0.00 0.00 176.83 176.79 1bwh h VAL 92 N 0.65 1.10 -0.88 2.27 2.07 -0.54 0.17 116.25 121.09 1bwh h VAL 92 Ca 0.17 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1bwh h VAL 92 Cb 0.13 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1bwh h VAL 92 CO -0.02 0.09 0.57 0.78 0.02 0.00 0.00 177.57 179.01 1bwh h ASN 93 N -0.01 0.96 -0.14 0.57 2.35 -0.98 -1.04 115.58 117.29 1bwh h ASN 93 Ca 0.02 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.58 1bwh h ASN 93 Cb 0.11 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 1bwh h ASN 93 CO -0.00 0.67 -0.55 0.00 -1.65 0.00 0.00 177.43 175.89 1bwh h ALA 95 N 0.81 1.30 -0.86 0.00 0.00 -0.01 -1.58 119.26 118.92 1bwh h ALA 95 Ca 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1bwh h ALA 95 Cb 1.13 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1bwh h ALA 95 CO 0.11 0.65 0.57 0.87 0.00 0.00 0.00 179.25 181.45 1bwh h LYS 96 N 1.33 1.13 -0.35 0.00 1.57 -1.11 -0.46 116.57 118.68 1bwh h LYS 96 Ca 0.36 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1bwh h LYS 96 Cb -0.15 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 31.91 1bwh h LYS 96 CO -0.08 0.75 -0.41 -0.22 -0.57 0.00 0.00 179.45 178.92 1bwh h LYS 97 N 1.17 0.89 -0.08 3.15 3.64 -1.23 -2.85 116.57 121.26 1bwh h LYS 97 Ca 0.32 -0.49 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1bwh h LYS 97 Cb -0.13 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1bwh h LYS 97 CO -0.07 1.14 0.04 0.82 -2.27 0.00 0.00 179.45 179.11 1bwh h ILE 98 N 0.70 1.12 0.00 2.00 2.04 -0.77 -2.78 117.51 119.82 1bwh h ILE 98 Ca 0.05 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1bwh h ILE 98 Cb 1.00 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1bwh h ILE 98 CO 0.10 0.10 -0.03 1.62 0.00 0.00 0.00 178.15 179.94 1bwh h VAL 99 N -0.00 0.11 -0.00 1.67 3.04 -1.13 -1.87 116.25 118.07 1bwh h VAL 99 Ca 0.03 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1bwh h VAL 99 Cb 0.13 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1bwh h VAL 99 CO -0.00 0.03 -0.34 -1.20 -1.01 0.00 0.00 177.57 175.05 1bwh n SER 100 N -3.18 0.52 0.29 3.17 7.64 -1.08 -3.62 113.62 117.36 1bwh n SER 100 Ca -0.01 -0.29 0.17 0.00 1.01 0.00 0.00 58.87 59.75 1bwh n SER 100 Cb 0.24 0.08 0.96 0.00 -1.01 0.00 0.00 64.21 64.49 1bwh n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1bwh h ASP 101 N 0.28 0.00 0.00 6.43 3.58 -1.07 -3.46 116.42 122.17 1bwh h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1bwh h ASP 101 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1bwh h ASP 101 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1bwh n GLY 102 N -1.28 3.13 0.51 -0.78 0.00 -1.26 -4.94 105.19 100.56 1bwh n GLY 102 Ca -0.02 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.51 1bwh n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bwh n ASN 103 N 0.00 1.57 0.00 1.61 3.02 -1.26 -5.03 115.26 115.16 1bwh n ASN 103 Ca 0.00 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.97 1bwh n ASN 103 Cb 0.00 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1bwh n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bwh n GLY 104 N 1.16 1.91 0.00 7.41 0.00 -1.24 -2.22 105.19 112.22 1bwh n GLY 104 Ca 0.18 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1bwh n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bwh n MET 105 N 7.08 0.73 0.18 1.61 2.81 -1.26 -3.09 117.12 125.18 1bwh n MET 105 Ca 0.00 0.01 0.13 0.00 -1.81 0.00 0.00 57.70 56.03 1bwh n MET 105 Cb 0.00 -1.50 0.63 0.00 -0.71 0.00 0.00 33.22 31.64 1bwh n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1bwh h ASN 106 N 0.00 0.00 0.15 7.83 2.35 -1.86 -1.07 115.58 122.98 1bwh h ASN 106 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1bwh h ASN 106 Cb 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1bwh h ASN 106 CO 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 177.43 175.74 1bwh h ALA 107 N 2.10 1.34 -2.29 -0.83 0.00 -1.71 -3.37 119.26 114.50 1bwh h ALA 107 Ca 0.00 -0.04 -0.74 0.00 0.00 0.00 0.00 54.91 54.13 1bwh h ALA 107 Cb 0.18 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.74 1bwh h ALA 107 CO 0.00 0.05 -0.32 -1.58 0.00 0.00 0.00 179.25 177.40 1bwh s TRP 108 N -4.38 3.24 0.23 0.00 0.51 -0.41 -4.97 118.94 113.17 1bwh s TRP 108 Ca -0.04 -0.94 -0.06 0.00 -2.12 0.00 0.00 56.10 52.94 1bwh s TRP 108 Cb 0.14 -3.21 0.40 0.00 -0.81 0.00 0.00 33.47 29.99 1bwh s TRP 108 CO 0.54 -0.81 1.72 0.28 -0.51 0.00 0.00 176.95 178.17 1bwh h VAL 109 N 5.76 0.66 -0.47 4.03 2.07 -1.84 -0.71 116.25 125.75 1bwh h VAL 109 Ca -0.29 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1bwh h VAL 109 Cb 1.11 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1bwh h VAL 109 CO 0.89 0.07 0.15 0.00 0.02 0.00 0.00 177.57 178.70 1bwh h ALA 110 N 1.52 1.38 -0.07 1.67 0.00 -1.93 -0.91 119.26 120.91 1bwh h ALA 110 Ca 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1bwh h ALA 110 Cb 0.56 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bwh h ALA 110 CO -0.39 0.46 -0.00 2.35 0.00 0.00 0.00 179.25 181.66 1bwh h TRP 111 N 0.68 0.14 -0.50 0.00 7.01 -1.48 0.12 115.95 121.92 1bwh h TRP 111 Ca 0.16 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.18 1bwh h TRP 111 Cb 0.20 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 1bwh h TRP 111 CO 0.01 0.40 0.25 -0.09 -2.79 0.00 0.00 178.44 176.22 1bwh h ARG 112 N -0.15 0.48 0.00 2.65 2.43 -0.96 0.16 114.38 118.98 1bwh h ARG 112 Ca 0.02 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1bwh h ARG 112 Cb 0.34 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1bwh h ARG 112 CO 0.00 0.32 -0.67 -0.91 -1.51 0.00 0.00 179.97 177.20 1bwh h ASN 113 N 0.50 0.00 0.00 -3.80 2.35 -1.13 -3.37 115.58 110.13 1bwh h ASN 113 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1bwh h ASN 113 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1bwh h ASN 113 CO -0.16 0.24 -0.09 0.54 -1.65 0.00 0.00 177.43 176.31 1bwh n ARG 114 N -2.98 4.53 -0.03 0.81 1.74 0.41 -4.88 116.66 116.27 1bwh n ARG 114 Ca -0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1bwh n ARG 114 Cb 0.65 -0.41 -0.02 0.00 -1.02 0.00 0.00 32.46 31.65 1bwh n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bwh n LYS 116 N -2.85 1.53 -1.00 0.00 4.81 0.38 -1.47 118.16 119.57 1bwh n LYS 116 Ca -0.10 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1bwh n LYS 116 Cb 0.60 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.37 1bwh n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bwh n GLY 117 N 3.52 0.43 3.92 3.14 0.00 -1.26 -4.96 105.19 109.97 1bwh n GLY 117 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1bwh n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bwh s THR 118 N -1.89 2.54 -1.24 2.61 -4.23 -0.54 -5.00 115.64 107.88 1bwh s THR 118 Ca 0.00 -1.27 -0.19 0.00 -1.18 0.00 0.00 61.69 59.05 1bwh s THR 118 Cb 0.00 -2.81 0.05 0.00 1.34 0.00 0.00 72.50 71.09 1bwh s THR 118 CO 0.00 0.00 1.70 -0.62 -0.54 0.00 0.00 174.62 175.16 1bwh s ASP 119 N -4.24 6.64 0.47 3.99 2.15 -1.26 -4.76 116.67 119.66 1bwh s ASP 119 Ca 0.49 -2.20 0.32 0.00 0.43 0.00 0.00 52.55 51.60 1bwh s ASP 119 Cb -0.04 -2.58 1.58 0.00 -0.30 0.00 0.00 42.92 41.58 1bwh s ASP 119 CO 0.29 -1.37 1.97 -0.37 -0.17 0.00 0.00 175.17 175.52 1bwh h VAL 120 N 5.85 0.00 0.00 1.11 -1.51 -1.91 -2.60 116.25 117.19 1bwh h VAL 120 Ca 0.39 -0.17 -0.01 0.00 -1.23 0.00 0.00 66.70 65.68 1bwh h VAL 120 Cb 0.90 0.98 -0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1bwh h VAL 120 CO 1.44 0.00 -0.05 -0.61 -1.23 0.00 0.00 177.57 177.11 1bwh h GLN 121 N 0.00 0.00 0.00 5.19 -0.00 -1.89 -2.02 115.11 116.39 1bwh h GLN 121 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1bwh h GLN 121 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.67 1bwh h GLN 121 CO 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 178.83 178.80 1bwh h ALA 122 N 1.95 1.49 0.00 3.38 0.00 -1.86 -2.49 119.26 121.72 1bwh h ALA 122 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bwh h ALA 122 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bwh h ALA 122 CO 0.01 0.10 0.00 -1.49 0.00 0.00 0.00 179.25 177.87 1bwh h TRP 123 N 0.00 0.00 -0.10 0.00 4.06 -1.59 -2.92 115.95 115.40 1bwh h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1bwh h TRP 123 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1bwh h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1bwh n ILE 124 N -2.39 0.84 -1.79 1.49 -5.35 -0.94 -4.82 119.36 106.40 1bwh n ILE 124 Ca 0.01 -0.92 -0.40 0.00 -0.27 0.00 0.00 62.75 61.17 1bwh n ILE 124 Cb 0.21 0.59 0.01 0.00 -1.74 0.00 0.00 39.64 38.72 1bwh n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bwh s ARG 125 N -0.89 3.83 0.00 6.28 1.70 -1.10 -2.46 118.95 126.31 1bwh s ARG 125 Ca 0.07 2.49 0.00 0.00 -0.47 0.00 0.00 55.73 57.83 1bwh s ARG 125 Cb 0.04 -2.77 0.00 0.00 -0.57 0.00 0.00 34.95 31.65 1bwh s ARG 125 CO 0.05 -0.73 0.00 0.41 -1.08 0.00 0.00 175.30 173.96 1bwh n GLY 126 N 0.52 1.84 3.80 3.88 0.00 -1.26 -4.99 105.19 108.97 1bwh n GLY 126 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1bwh n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwh s ARG 128 N -1.50 3.28 0.00 0.00 3.52 -1.26 -5.12 118.95 117.87 1bwh s ARG 128 Ca 0.38 -1.28 0.24 0.00 -0.13 0.00 0.00 55.73 54.94 1bwh s ARG 128 Cb -0.20 -4.49 0.28 0.00 -1.56 0.00 0.00 34.95 28.99 1bwh s ARG 128 CO 0.23 -1.75 1.31 1.28 -0.81 0.00 0.00 175.30 175.56