#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vwt s HIS 2 N 0.00 3.13 -0.00 6.34 5.65 -1.26 -4.69 115.29 124.46 1vwt s HIS 2 Ca 0.00 -0.53 0.07 0.00 0.25 0.00 0.00 55.06 54.86 1vwt s HIS 2 Cb 0.00 -2.29 -0.02 0.00 -1.18 0.00 0.00 32.58 29.09 1vwt s HIS 2 CO 0.00 -0.41 -0.23 -0.51 -0.65 0.00 0.00 174.74 172.93 1vwt s LEU 3 N 1.60 2.07 0.67 8.88 1.43 -1.26 -5.12 118.68 126.96 1vwt s LEU 3 Ca 0.05 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 1vwt s LEU 3 Cb -0.16 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1vwt s LEU 3 CO 0.05 0.27 1.07 0.42 0.23 0.00 0.00 176.35 178.39 1vwt s THR 4 N -0.60 3.71 0.45 5.49 -4.23 -1.26 -4.77 115.64 114.43 1vwt s THR 4 Ca 0.09 0.67 0.24 0.00 -1.18 0.00 0.00 61.69 61.51 1vwt s THR 4 Cb -0.09 -3.26 0.43 0.00 1.34 0.00 0.00 72.50 70.92 1vwt s THR 4 CO -0.00 -0.61 1.83 -0.65 -0.54 0.00 0.00 174.62 174.64 1vwt h PRO 5 N -0.29 0.25 -0.21 3.99 0.11 -2.00 -0.36 132.00 133.49 1vwt h PRO 5 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1vwt h PRO 5 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1vwt h PRO 5 CO 0.56 0.17 -0.14 0.93 -0.21 0.00 0.00 178.00 179.30 1vwt h GLU 6 N 0.26 0.46 -0.36 1.05 3.07 -2.00 -2.56 114.58 114.50 1vwt h GLU 6 Ca 0.52 -0.22 -0.08 0.00 -0.50 0.00 0.00 59.36 59.08 1vwt h GLU 6 Cb 1.56 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.45 1vwt h GLU 6 CO -0.16 0.77 -0.11 0.93 -1.40 0.00 0.00 179.01 179.04 1vwt h GLU 7 N 0.15 0.61 -0.20 2.33 5.08 -1.46 -2.23 114.58 118.86 1vwt h GLU 7 Ca 0.04 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1vwt h GLU 7 Cb 0.65 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1vwt h GLU 7 CO 0.04 0.71 0.00 -0.22 -1.00 0.00 0.00 179.01 178.54 1vwt h LYS 8 N 0.56 0.36 -0.81 2.33 1.63 -1.21 -1.84 116.57 117.59 1vwt h LYS 8 Ca 0.10 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 1vwt h LYS 8 Cb 0.52 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.08 1vwt h LYS 8 CO 0.03 0.55 0.36 0.77 -3.45 0.00 0.00 179.45 177.71 1vwt h SER 9 N 0.12 1.09 -0.39 4.20 0.02 -1.38 -1.36 113.55 115.85 1vwt h SER 9 Ca 0.06 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1vwt h SER 9 Cb 0.39 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1vwt h SER 9 CO 0.01 0.94 0.17 0.00 -1.14 0.00 0.00 176.83 176.82 1vwt h ALA 10 N 1.22 0.51 0.37 3.77 0.00 -1.31 -0.43 119.26 123.39 1vwt h ALA 10 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1vwt h ALA 10 Cb 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1vwt h ALA 10 CO -0.03 0.09 -0.18 0.28 0.00 0.00 0.00 179.25 179.42 1vwt h VAL 11 N 0.49 0.62 -0.65 0.00 2.07 -1.06 -2.42 116.25 115.30 1vwt h VAL 11 Ca 0.13 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1vwt h VAL 11 Cb 0.16 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1vwt h VAL 11 CO -0.01 0.07 0.26 0.71 0.02 0.00 0.00 177.57 178.62 1vwt h THR 12 N -0.71 1.24 -0.36 2.57 1.35 -1.27 -1.63 112.91 114.08 1vwt h THR 12 Ca -0.05 -0.74 0.01 0.00 -0.55 0.00 0.00 66.41 65.09 1vwt h THR 12 Cb 0.50 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 67.41 1vwt h THR 12 CO 0.08 0.29 0.22 0.00 -0.25 0.00 0.00 175.52 175.86 1vwt h ALA 13 N 1.11 0.46 -0.68 6.62 0.00 -1.10 -2.31 119.26 123.35 1vwt h ALA 13 Ca 0.22 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1vwt h ALA 13 Cb 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1vwt h ALA 13 CO -0.02 -0.13 0.13 1.25 0.00 0.00 0.00 179.25 180.49 1vwt h LEU 14 N 0.44 1.06 -1.75 0.00 7.12 -1.26 -2.89 115.31 118.03 1vwt h LEU 14 Ca 0.14 -0.25 -0.03 0.00 0.13 0.00 0.00 57.88 57.87 1vwt h LEU 14 Cb -0.00 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 39.84 1vwt h LEU 14 CO -0.06 1.04 -0.16 -0.25 -0.13 0.00 0.00 178.44 178.88 1vwt h TRP 15 N 1.04 0.00 0.00 1.25 2.91 -0.95 -2.34 115.95 117.86 1vwt h TRP 15 Ca 0.21 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.22 1vwt h TRP 15 Cb 0.42 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.07 1vwt h TRP 15 CO 0.03 0.16 -0.02 0.78 -1.03 0.00 0.00 178.44 178.36 1vwt h GLY 16 N 0.68 0.00 -2.32 2.65 0.00 -1.20 -1.49 103.07 101.39 1vwt h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vwt h GLY 16 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 1vwt n LYS 17 N -3.32 2.52 -3.12 4.80 5.02 -0.88 -4.93 118.16 118.24 1vwt n LYS 17 Ca -0.02 -2.33 -0.39 0.00 -2.02 0.00 0.00 58.31 53.55 1vwt n LYS 17 Cb 0.15 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 1vwt n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1vwt s VAL 18 N -1.39 5.07 -0.70 -0.18 1.01 -0.56 -4.99 120.40 118.66 1vwt s VAL 18 Ca 0.39 1.27 -0.19 0.00 0.00 0.00 0.00 61.98 63.45 1vwt s VAL 18 Cb 0.23 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.75 1vwt s VAL 18 CO 0.31 0.22 0.86 0.21 0.00 0.00 0.00 175.10 176.70 1vwt s ASN 19 N 0.88 6.32 0.29 3.32 2.47 -1.26 -4.91 114.94 122.04 1vwt s ASN 19 Ca 0.33 -1.56 0.04 0.00 0.42 0.00 0.00 52.86 52.09 1vwt s ASN 19 Cb -0.17 -2.34 0.72 0.00 -1.45 0.00 0.00 41.25 38.02 1vwt s ASN 19 CO 0.14 -1.14 1.70 0.58 -3.72 0.00 0.00 177.10 174.66 1vwt h VAL 20 N 5.82 0.49 0.21 -5.21 2.07 -1.94 -0.43 116.25 117.27 1vwt h VAL 20 Ca -0.17 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1vwt h VAL 20 Cb 1.07 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1vwt h VAL 20 CO 1.09 0.08 -0.26 0.44 0.02 0.00 0.00 177.57 178.94 1vwt h ASP 21 N 0.42 -0.73 0.44 0.57 3.32 -1.91 0.91 116.42 119.45 1vwt h ASP 21 Ca 0.56 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.66 1vwt h ASP 21 Cb 1.04 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1vwt h ASP 21 CO -0.52 -0.37 -0.21 -0.08 -1.72 0.00 0.00 179.24 176.34 1vwt h GLU 22 N -0.53 -0.57 -0.49 3.56 4.81 -1.69 -2.98 114.58 116.70 1vwt h GLU 22 Ca 0.01 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1vwt h GLU 22 Cb 0.51 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1vwt h GLU 22 CO -0.09 -0.35 0.14 0.28 -0.73 0.00 0.00 179.01 178.26 1vwt h VAL 23 N -0.63 1.23 -0.47 0.32 2.07 -1.11 -2.69 116.25 114.97 1vwt h VAL 23 Ca -0.06 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 66.75 1vwt h VAL 23 Cb 0.48 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1vwt h VAL 23 CO 0.10 0.28 0.15 1.23 0.02 0.00 0.00 177.57 179.35 1vwt h GLY 24 N 0.66 0.61 1.62 2.17 0.00 -0.85 0.36 103.07 107.64 1vwt h GLY 24 Ca 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1vwt h GLY 24 CO -0.00 -0.00 -0.05 -1.33 0.00 0.00 0.00 176.54 175.15 1vwt h GLY 25 N 0.32 0.50 0.84 4.60 0.00 -1.45 -1.70 103.07 106.18 1vwt h GLY 25 Ca 0.23 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 1vwt h GLY 25 CO -0.25 0.29 -0.30 0.83 0.00 0.00 0.00 176.54 177.11 1vwt h GLU 26 N 0.45 0.50 0.02 4.80 4.39 -0.99 -2.12 114.58 121.62 1vwt h GLU 26 Ca 0.09 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1vwt h GLU 26 Cb 0.38 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1vwt h GLU 26 CO 0.02 0.92 -0.01 0.00 -1.16 0.00 0.00 179.01 178.77 1vwt h ALA 27 N 0.58 -0.02 -0.55 3.43 0.00 -0.75 -0.96 119.26 120.98 1vwt h ALA 27 Ca 0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1vwt h ALA 27 Cb 0.89 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1vwt h ALA 27 CO 0.07 -0.47 -0.07 1.25 0.00 0.00 0.00 179.25 180.03 1vwt h LEU 28 N -0.11 1.01 -0.48 0.00 5.85 -1.40 -2.01 115.31 118.17 1vwt h LEU 28 Ca -0.00 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1vwt h LEU 28 Cb 0.10 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1vwt h LEU 28 CO 0.00 1.10 0.29 1.23 -0.34 0.00 0.00 178.44 180.72 1vwt h GLY 29 N 0.96 0.69 1.80 3.75 0.00 -1.26 -2.34 103.07 106.67 1vwt h GLY 29 Ca 0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 1vwt h GLY 29 CO 0.04 0.28 -0.34 3.21 0.00 0.00 0.00 176.54 179.73 1vwt h ARG 30 N 0.63 0.23 -0.44 4.80 3.08 -1.08 -2.24 114.38 119.37 1vwt h ARG 30 Ca 0.17 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1vwt h ARG 30 Cb -0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1vwt h ARG 30 CO -0.03 0.55 0.24 1.25 -1.07 0.00 0.00 179.97 180.91 1vwt h LEU 31 N 0.20 0.55 -1.33 3.04 5.85 -0.95 0.21 115.31 122.88 1vwt h LEU 31 Ca 0.03 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1vwt h LEU 31 Cb 0.71 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1vwt h LEU 31 CO 0.05 0.48 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.30 1vwt h LEU 32 N 0.57 0.00 0.02 2.25 4.07 -1.21 -1.12 115.31 119.89 1vwt h LEU 32 Ca 0.15 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.94 1vwt h LEU 32 Cb 0.05 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1vwt h LEU 32 CO -0.02 0.26 -0.93 0.58 -1.08 0.00 0.00 178.44 177.24 1vwt h VAL 33 N 0.00 1.19 -0.10 1.22 2.07 -0.95 -3.27 116.25 116.41 1vwt h VAL 33 Ca -0.00 -2.27 -0.18 0.00 0.82 0.00 0.00 66.70 65.07 1vwt h VAL 33 Cb 0.65 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1vwt h VAL 33 CO 0.03 0.48 -0.68 0.58 0.02 0.00 0.00 177.57 178.00 1vwt h VAL 34 N -0.86 1.37 -2.72 2.57 2.07 -0.64 -3.36 116.25 114.69 1vwt h VAL 34 Ca -0.24 -2.06 -0.61 0.00 0.82 0.00 0.00 66.70 64.62 1vwt h VAL 34 Cb 1.31 2.04 -0.41 0.00 -1.52 0.00 0.00 31.29 32.71 1vwt h VAL 34 CO -0.10 0.62 -0.69 -1.22 0.02 0.00 0.00 177.57 176.21 1vwt n TYR 35 N -3.86 2.26 -0.29 1.57 4.01 -0.43 -4.99 117.16 115.43 1vwt n TYR 35 Ca -0.04 -4.04 0.29 0.00 -0.16 0.00 0.00 57.90 53.95 1vwt n TYR 35 Cb 0.68 -0.42 0.65 0.00 -0.31 0.00 0.00 39.34 39.94 1vwt n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1vwt h PRO 36 N 5.14 0.15 0.00 -0.72 0.11 -1.71 -1.83 132.00 133.14 1vwt h PRO 36 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1vwt h PRO 36 Cb 0.78 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1vwt h PRO 36 CO 0.65 0.10 0.00 0.11 -0.21 0.00 0.00 178.00 178.65 1vwt h TRP 37 N 0.16 0.00 0.00 0.65 0.09 -1.92 -1.04 115.95 113.89 1vwt h TRP 37 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.52 1vwt h TRP 37 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.06 1vwt h TRP 37 CO -0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1vwt n THR 38 N -2.71 0.75 0.51 0.12 -2.24 -0.69 -2.48 114.28 107.54 1vwt n THR 38 Ca -0.01 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 1vwt n THR 38 Cb 0.12 -0.90 0.44 0.00 -2.10 0.00 0.00 70.33 67.90 1vwt n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vwt n GLN 39 N -1.45 0.13 0.34 -0.78 6.02 -0.39 -3.13 117.38 118.11 1vwt n GLN 39 Ca 0.05 0.31 0.22 0.00 -0.01 0.00 0.00 57.00 57.57 1vwt n GLN 39 Cb 0.19 -1.73 1.17 0.00 1.02 0.00 0.00 30.24 30.89 1vwt n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1vwt h ARG 40 N 0.00 0.00 -0.02 -1.09 0.11 -1.70 -1.34 114.38 110.34 1vwt h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1vwt h ARG 40 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1vwt h ARG 40 CO 0.00 0.00 -0.17 1.19 0.10 0.00 0.00 179.97 181.09 1vwt n PHE 41 N -3.11 0.00 -2.49 4.08 3.72 -1.19 -4.42 117.46 114.05 1vwt n PHE 41 Ca -0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 1vwt n PHE 41 Cb 0.10 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1vwt n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1vwt n PHE 42 N 0.19 2.06 -0.10 1.38 3.72 -0.51 -4.87 117.46 119.32 1vwt n PHE 42 Ca 0.14 -2.44 0.08 0.00 -0.05 0.00 0.00 57.45 55.18 1vwt n PHE 42 Cb 0.43 -0.27 0.42 0.00 -0.94 0.00 0.00 39.48 39.13 1vwt n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1vwt h GLU 43 N 2.54 0.57 -0.21 -1.08 4.39 -1.77 -1.92 114.58 117.10 1vwt h GLU 43 Ca 0.10 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1vwt h GLU 43 Cb 1.28 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1vwt h GLU 43 CO 0.53 0.38 0.00 -1.13 -1.16 0.00 0.00 179.01 177.62 1vwt n SER 44 N -4.48 1.05 -0.00 1.42 3.41 -1.26 -3.98 113.62 109.78 1vwt n SER 44 Ca 0.08 -2.01 0.12 0.00 -0.26 0.00 0.00 58.87 56.81 1vwt n SER 44 Cb 0.24 -0.14 0.32 0.00 -0.26 0.00 0.00 64.21 64.37 1vwt n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1vwt n PHE 45 N 0.06 0.00 0.00 7.33 3.01 -0.72 -5.06 117.46 122.08 1vwt n PHE 45 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1vwt n PHE 45 Cb 0.17 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1vwt n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1vwt n GLY 46 N 1.50 0.57 3.66 1.37 0.00 -1.26 -4.73 105.19 106.30 1vwt n GLY 46 Ca 0.06 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1vwt n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vwt s ASP 47 N -4.00 6.93 -0.03 1.61 2.15 -1.26 -4.88 116.67 117.19 1vwt s ASP 47 Ca 0.00 1.15 0.12 0.00 0.43 0.00 0.00 52.55 54.25 1vwt s ASP 47 Cb 0.00 -2.46 0.22 0.00 -0.30 0.00 0.00 42.92 40.38 1vwt s ASP 47 CO 0.00 -0.48 1.10 0.18 -0.17 0.00 0.00 175.17 175.80 1vwt n LEU 48 N 5.65 0.87 0.27 -1.34 4.77 -1.26 -4.13 117.00 121.84 1vwt n LEU 48 Ca 0.06 -1.86 0.17 0.00 -0.03 0.00 0.00 56.01 54.34 1vwt n LEU 48 Cb 0.48 -0.10 0.62 0.00 -2.33 0.00 0.00 43.42 42.09 1vwt n LEU 48 CO 0.48 0.50 0.97 0.77 -1.33 0.00 0.00 177.39 178.78 1vwt h SER 49 N 0.44 0.00 -5.22 -1.43 4.64 -1.93 -3.44 113.55 106.61 1vwt h SER 49 Ca -0.08 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.12 1vwt h SER 49 Cb 1.49 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.43 1vwt h SER 49 CO 0.03 0.01 -0.67 0.42 -0.87 0.00 0.00 176.83 175.75 1vwt s THR 50 N -3.61 0.21 0.24 2.95 -4.23 -1.26 -5.02 115.64 104.91 1vwt s THR 50 Ca 0.02 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 58.75 1vwt s THR 50 Cb 0.08 -1.43 0.21 0.00 1.34 0.00 0.00 72.50 72.71 1vwt s THR 50 CO 0.56 -0.95 1.84 -0.65 -0.54 0.00 0.00 174.62 174.88 1vwt h PRO 51 N 3.23 0.91 -0.37 3.99 0.11 -1.98 0.18 132.00 138.07 1vwt h PRO 51 Ca -0.34 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.62 1vwt h PRO 51 Cb 1.15 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1vwt h PRO 51 CO 0.64 0.60 -0.18 -0.44 -0.21 0.00 0.00 178.00 178.41 1vwt h ASP 52 N 0.94 0.69 -0.11 -2.05 3.32 -1.98 0.82 116.42 118.06 1vwt h ASP 52 Ca 0.38 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1vwt h ASP 52 Cb 0.20 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1vwt h ASP 52 CO -0.18 0.87 0.01 0.00 -1.72 0.00 0.00 179.24 178.22 1vwt h ALA 53 N 1.19 0.15 0.22 3.45 0.00 -1.61 -1.19 119.26 121.46 1vwt h ALA 53 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1vwt h ALA 53 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1vwt h ALA 53 CO 0.05 -0.18 -0.11 0.28 0.00 0.00 0.00 179.25 179.29 1vwt h VAL 54 N -0.07 0.82 -0.11 0.00 2.07 -0.52 -1.21 116.25 117.23 1vwt h VAL 54 Ca 0.03 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1vwt h VAL 54 Cb 0.33 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1vwt h VAL 54 CO 0.00 0.04 -0.04 0.24 0.02 0.00 0.00 177.57 177.84 1vwt h MET 55 N -0.37 0.15 0.00 1.57 2.07 -0.86 -2.52 114.93 114.97 1vwt h MET 55 Ca -0.03 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1vwt h MET 55 Cb 0.29 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.99 1vwt h MET 55 CO 0.05 0.21 -0.66 0.78 1.07 0.00 0.00 176.91 178.35 1vwt h GLY 56 N 0.43 0.00 -5.87 8.32 0.00 -1.10 -3.47 103.07 101.38 1vwt h GLY 56 Ca 0.04 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.76 1vwt h GLY 56 CO 0.01 0.00 1.18 -2.01 0.00 0.00 0.00 176.54 175.72 1vwt n ASN 57 N -2.34 3.48 0.16 0.19 2.85 -0.47 -4.86 115.26 114.27 1vwt n ASN 57 Ca 0.02 0.86 0.03 0.00 -0.11 0.00 0.00 54.58 55.39 1vwt n ASN 57 Cb 0.47 -1.40 0.42 0.00 1.24 0.00 0.00 39.78 40.51 1vwt n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1vwt h PRO 58 N 10.16 0.14 -0.29 1.20 0.13 -1.90 -2.34 132.00 139.10 1vwt h PRO 58 Ca -0.47 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.52 1vwt h PRO 58 Cb 1.27 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1vwt h PRO 58 CO 0.95 0.31 -0.28 0.87 -0.23 0.00 0.00 178.00 179.63 1vwt h LYS 59 N 0.13 0.59 -0.26 0.86 1.57 -1.89 -0.21 116.57 117.36 1vwt h LYS 59 Ca 0.03 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 1vwt h LYS 59 Cb 0.38 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1vwt h LYS 59 CO 0.03 0.81 -0.06 0.28 -0.57 0.00 0.00 179.45 179.93 1vwt h VAL 60 N 0.51 1.28 -0.48 0.50 2.07 -1.77 -1.00 116.25 117.37 1vwt h VAL 60 Ca 0.07 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1vwt h VAL 60 Cb 0.74 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1vwt h VAL 60 CO 0.06 0.34 0.26 0.11 0.02 0.00 0.00 177.57 178.36 1vwt h LYS 61 N 0.25 0.66 -0.08 1.57 1.57 -1.25 0.14 116.57 119.42 1vwt h LYS 61 Ca 0.07 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1vwt h LYS 61 Cb 0.53 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1vwt h LYS 61 CO 0.03 0.52 0.03 0.00 -0.57 0.00 0.00 179.45 179.45 1vwt h ALA 62 N 1.11 0.09 -0.50 3.86 0.00 -0.93 -1.90 119.26 120.99 1vwt h ALA 62 Ca 0.17 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1vwt h ALA 62 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1vwt h ALA 62 CO -0.03 -0.44 0.07 1.25 0.00 0.00 0.00 179.25 180.10 1vwt h HIS 63 N 0.07 0.89 -0.95 0.00 -0.00 -0.98 -2.70 115.15 111.48 1vwt h HIS 63 Ca 0.04 -0.13 0.11 0.00 -0.00 0.00 0.00 60.37 60.39 1vwt h HIS 63 Cb 0.02 -0.24 -0.08 0.00 -0.00 0.00 0.00 27.41 27.11 1vwt h HIS 63 CO -0.10 0.82 0.61 0.78 -0.00 0.00 0.00 177.93 180.04 1vwt h GLY 64 N 0.70 1.46 1.40 5.26 0.00 -0.53 -0.80 103.07 110.57 1vwt h GLY 64 Ca 0.15 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1vwt h GLY 64 CO 0.01 0.17 -0.06 1.70 0.00 0.00 0.00 176.54 178.37 1vwt h LYS 65 N 0.93 0.73 -0.19 4.80 3.64 -1.04 -1.93 116.57 123.51 1vwt h LYS 65 Ca 0.46 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1vwt h LYS 65 Cb 0.48 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1vwt h LYS 65 CO -0.22 0.78 -0.05 0.87 -2.27 0.00 0.00 179.45 178.56 1vwt h LYS 66 N 0.67 0.37 0.20 1.90 1.57 -0.91 -2.01 116.57 118.36 1vwt h LYS 66 Ca 0.13 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1vwt h LYS 66 Cb 0.50 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1vwt h LYS 66 CO 0.03 0.63 -0.10 0.28 -0.57 0.00 0.00 179.45 179.72 1vwt h VAL 67 N 0.08 0.82 0.00 0.50 2.07 -1.11 -2.23 116.25 116.39 1vwt h VAL 67 Ca 0.05 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1vwt h VAL 67 Cb 0.49 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1vwt h VAL 67 CO 0.02 0.02 -0.20 -0.07 0.02 0.00 0.00 177.57 177.36 1vwt h LEU 68 N -0.31 0.00 -0.43 2.57 -0.00 -1.40 -0.99 115.31 114.75 1vwt h LEU 68 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.78 1vwt h LEU 68 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 1vwt h LEU 68 CO 0.05 0.20 0.00 1.23 -0.00 0.00 0.00 178.44 179.92 1vwt h GLY 69 N 0.68 0.82 1.50 0.83 0.00 -1.09 0.24 103.07 106.05 1vwt h GLY 69 Ca -0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.60 1vwt h GLY 69 CO 0.03 0.55 -0.37 0.00 0.00 0.00 0.00 176.54 176.75 1vwt h ALA 70 N 0.90 0.89 -0.74 3.60 0.00 -0.91 -2.27 119.26 120.73 1vwt h ALA 70 Ca 0.12 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1vwt h ALA 70 Cb 0.49 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1vwt h ALA 70 CO 0.02 0.63 0.38 0.35 0.00 0.00 0.00 179.25 180.63 1vwt h PHE 71 N 0.46 1.04 -0.83 0.00 3.04 -0.91 -2.44 116.94 117.30 1vwt h PHE 71 Ca 0.05 -0.04 0.07 0.00 3.98 0.00 0.00 57.97 62.03 1vwt h PHE 71 Cb 0.86 -0.33 -0.07 0.00 2.56 0.00 0.00 35.95 38.98 1vwt h PHE 71 CO 0.03 0.75 0.50 1.03 -2.02 0.00 0.00 178.31 178.61 1vwt h SER 72 N 1.03 0.76 -0.21 0.41 0.87 0.03 -1.63 113.55 114.82 1vwt h SER 72 Ca 0.26 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1vwt h SER 72 Cb 0.08 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1vwt h SER 72 CO -0.04 0.47 0.08 0.44 -0.53 0.00 0.00 176.83 177.25 1vwt h ASP 73 N 0.89 0.34 -0.09 6.23 5.19 -1.06 -2.31 116.42 125.60 1vwt h ASP 73 Ca 0.38 -0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.66 1vwt h ASP 73 Cb 0.24 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1vwt h ASP 73 CO -0.20 0.34 -0.24 1.23 -3.12 0.00 0.00 179.24 177.24 1vwt h GLY 74 N 0.56 0.57 2.00 2.75 0.00 -1.15 -2.08 103.07 105.72 1vwt h GLY 74 Ca 0.09 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1vwt h GLY 74 CO -0.01 0.43 -0.02 1.41 0.00 0.00 0.00 176.54 178.36 1vwt h LEU 75 N 0.47 0.00 -0.04 3.11 3.38 -1.25 0.21 115.31 121.18 1vwt h LEU 75 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1vwt h LEU 75 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1vwt h LEU 75 CO 0.05 0.02 -0.19 0.00 0.09 0.00 0.00 178.44 178.41 1vwt n ALA 76 N -2.23 2.83 -2.71 1.53 0.00 -0.79 -3.97 120.51 115.18 1vwt n ALA 76 Ca -0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 1vwt n ALA 76 Cb 0.11 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.27 1vwt n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vwt n HIS 77 N -1.39 1.41 0.21 0.00 8.25 0.66 -4.89 115.22 119.47 1vwt n HIS 77 Ca 0.08 -2.41 0.18 0.00 -0.26 0.00 0.00 57.72 55.31 1vwt n HIS 77 Cb 0.32 -0.28 0.78 0.00 1.12 0.00 0.00 29.99 31.94 1vwt n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1vwt h LEU 78 N 2.71 0.00 -0.32 2.41 3.38 -1.51 0.20 115.31 122.19 1vwt h LEU 78 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1vwt h LEU 78 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1vwt h LEU 78 CO 0.36 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 176.65 1vwt h ASP 79 N 0.00 0.00 -1.25 -0.43 3.04 -1.87 -2.00 116.42 113.91 1vwt h ASP 79 Ca 0.10 0.00 -0.39 0.00 -3.24 0.00 0.00 57.03 53.50 1vwt h ASP 79 Cb 0.85 0.00 -0.31 0.00 -1.04 0.00 0.00 39.33 38.83 1vwt h ASP 79 CO -0.00 0.00 -0.93 -3.20 -2.04 0.00 0.00 179.24 173.07 1vwt n ASN 80 N -2.50 -0.25 -0.27 4.15 2.85 0.71 -4.66 115.26 115.28 1vwt n ASN 80 Ca 0.04 -3.21 -0.01 0.00 -0.11 0.00 0.00 54.58 51.29 1vwt n ASN 80 Cb 0.39 0.26 0.19 0.00 1.24 0.00 0.00 39.78 41.86 1vwt n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1vwt h LEU 81 N 2.98 0.97 0.41 1.20 3.38 -1.71 -2.10 115.31 120.43 1vwt h LEU 81 Ca 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1vwt h LEU 81 Cb 1.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1vwt h LEU 81 CO 0.36 0.72 -0.40 0.11 0.09 0.00 0.00 178.44 179.33 1vwt h LYS 82 N 1.13 -0.79 -0.18 1.13 1.79 -1.91 -1.86 116.57 115.88 1vwt h LYS 82 Ca 0.30 0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.76 1vwt h LYS 82 Cb -0.09 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1vwt h LYS 82 CO -0.06 -0.53 -0.17 0.78 -1.08 0.00 0.00 179.45 178.39 1vwt h GLY 83 N -0.82 0.33 0.97 3.86 0.00 -1.93 -2.36 103.07 103.11 1vwt h GLY 83 Ca -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1vwt h GLY 83 CO -0.06 0.21 0.22 -0.84 0.00 0.00 0.00 176.54 176.07 1vwt h THR 84 N 0.28 1.20 -0.70 4.70 2.02 -1.13 -3.19 112.91 116.09 1vwt h THR 84 Ca 0.05 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1vwt h THR 84 Cb 0.47 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1vwt h THR 84 CO 0.03 0.23 0.00 0.49 0.37 0.00 0.00 175.52 176.64 1vwt n PHE 85 N -4.59 1.12 -0.10 3.16 3.72 -0.72 -4.65 117.46 115.39 1vwt n PHE 85 Ca 0.02 -0.53 -0.05 0.00 -0.05 0.00 0.00 57.45 56.83 1vwt n PHE 85 Cb 0.13 -0.07 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 1vwt n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vwt h ALA 86 N 4.19 0.20 -0.51 4.37 0.00 -1.41 0.19 119.26 126.28 1vwt h ALA 86 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1vwt h ALA 86 Cb 1.12 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1vwt h ALA 86 CO 0.07 -0.49 0.20 1.15 0.00 0.00 0.00 179.25 180.18 1vwt h THR 87 N -0.04 1.22 0.00 0.00 2.02 -1.84 -2.10 112.91 112.17 1vwt h THR 87 Ca 0.18 -0.67 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 1vwt h THR 87 Cb 0.31 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1vwt h THR 87 CO -0.40 0.25 -0.37 -0.07 0.37 0.00 0.00 175.52 175.31 1vwt h LEU 88 N 0.68 0.00 0.08 2.58 3.38 -1.77 -1.67 115.31 118.59 1vwt h LEU 88 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1vwt h LEU 88 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1vwt h LEU 88 CO -0.01 0.37 -0.04 -1.28 0.09 0.00 0.00 178.44 177.57 1vwt h SER 89 N 0.00 -0.09 -0.73 -0.43 0.87 -0.27 -1.03 113.55 111.87 1vwt h SER 89 Ca -0.00 -0.24 0.05 0.00 -1.23 0.00 0.00 61.79 60.37 1vwt h SER 89 Cb 0.71 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.64 1vwt h SER 89 CO 0.05 0.19 0.44 -0.33 -0.53 0.00 0.00 176.83 176.65 1vwt h GLU 90 N -0.38 0.79 -0.15 2.24 5.08 -1.21 -1.95 114.58 119.00 1vwt h GLU 90 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1vwt h GLU 90 Cb 0.33 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1vwt h GLU 90 CO 0.02 0.52 0.09 1.25 -1.00 0.00 0.00 179.01 179.89 1vwt h LEU 91 N 0.81 0.19 -1.85 1.33 5.85 -1.19 0.68 115.31 121.13 1vwt h LEU 91 Ca 0.32 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1vwt h LEU 91 Cb 0.14 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1vwt h LEU 91 CO -0.16 0.21 -0.14 0.45 -0.34 0.00 0.00 178.44 178.47 1vwt h HIS 92 N 0.15 0.00 0.00 1.25 3.86 -0.85 -1.59 115.15 117.97 1vwt h HIS 92 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1vwt h HIS 92 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1vwt h HIS 92 CO -0.04 0.14 -0.16 0.00 0.86 0.00 0.00 177.93 178.73 1vwt h ASP 94 N -0.58 0.77 0.03 0.00 3.32 -0.95 -2.80 116.42 116.20 1vwt h ASP 94 Ca 0.00 -0.26 -0.38 0.00 0.02 0.00 0.00 57.03 56.41 1vwt h ASP 94 Cb 0.16 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 1vwt h ASP 94 CO 0.00 0.84 -2.26 0.29 -1.72 0.00 0.00 179.24 176.39 1vwt n LYS 95 N -4.43 0.66 0.08 3.56 5.02 -0.77 -4.64 118.16 117.63 1vwt n LYS 95 Ca 0.01 0.24 0.07 0.00 -2.02 0.00 0.00 58.31 56.61 1vwt n LYS 95 Cb 0.25 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1vwt n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1vwt n LEU 96 N -3.62 0.86 -3.71 -0.35 4.77 -0.67 -4.99 117.00 109.29 1vwt n LEU 96 Ca -0.43 0.35 -0.24 0.00 -0.03 0.00 0.00 56.01 55.66 1vwt n LEU 96 Cb 0.96 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 42.08 1vwt n LEU 96 CO 0.25 -0.06 0.06 1.41 -1.33 0.00 0.00 177.39 177.73 1vwt n HIS 97 N -2.76 -2.24 -3.29 -1.77 8.25 -0.37 -4.96 115.22 108.09 1vwt n HIS 97 Ca -0.04 0.91 -0.39 0.00 -0.26 0.00 0.00 57.72 57.94 1vwt n HIS 97 Cb 0.66 -4.48 -0.07 0.00 1.12 0.00 0.00 29.99 27.22 1vwt n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1vwt s VAL 98 N -3.45 5.12 -0.02 1.59 1.01 -0.52 -5.02 120.40 119.10 1vwt s VAL 98 Ca 0.30 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.83 1vwt s VAL 98 Cb -0.15 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 1vwt s VAL 98 CO 0.79 0.16 2.01 -0.62 0.00 0.00 0.00 175.10 177.45 1vwt s ASP 99 N 1.30 6.25 0.66 3.32 -1.08 -1.26 -4.79 116.67 121.07 1vwt s ASP 99 Ca 0.21 2.51 0.30 0.00 -0.52 0.00 0.00 52.55 55.05 1vwt s ASP 99 Cb -0.15 -2.53 1.62 0.00 -1.46 0.00 0.00 42.92 40.40 1vwt s ASP 99 CO 0.09 -1.24 1.92 -0.65 0.52 0.00 0.00 175.17 175.82 1vwt h PRO 100 N 11.48 0.00 -0.01 4.34 0.11 -1.97 0.08 132.00 146.04 1vwt h PRO 100 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1vwt h PRO 100 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1vwt h PRO 100 CO 0.94 0.00 0.01 0.93 -0.21 0.00 0.00 178.00 179.67 1vwt h GLU 101 N 0.00 0.00 0.00 1.05 4.39 -1.98 -0.61 114.58 117.43 1vwt h GLU 101 Ca 0.02 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1vwt h GLU 101 Cb 0.70 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1vwt h GLU 101 CO -0.00 0.00 -0.30 -0.91 -1.16 0.00 0.00 179.01 176.64 1vwt h ASN 102 N 0.00 0.00 -0.26 1.42 4.21 -1.35 -2.54 115.58 117.07 1vwt h ASN 102 Ca 0.00 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.43 1vwt h ASN 102 Cb 0.01 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 1vwt h ASN 102 CO -0.00 0.30 -0.12 -0.26 -1.29 0.00 0.00 177.43 176.06 1vwt h PHE 103 N 0.00 0.72 -0.28 1.19 0.04 -1.28 -1.74 116.94 115.59 1vwt h PHE 103 Ca -0.00 -0.12 -0.06 0.00 2.80 0.00 0.00 57.97 60.59 1vwt h PHE 103 Cb 0.60 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 1vwt h PHE 103 CO 0.00 0.75 -0.04 0.00 -0.60 0.00 0.00 178.31 178.42 1vwt h ARG 104 N 0.61 0.53 -0.65 1.51 3.08 -1.51 -1.76 114.38 116.19 1vwt h ARG 104 Ca 0.11 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1vwt h ARG 104 Cb 0.56 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1vwt h ARG 104 CO 0.03 0.72 0.33 -0.07 -1.07 0.00 0.00 179.97 179.91 1vwt h LEU 105 N 0.30 0.83 -0.94 3.04 3.38 -1.32 -2.25 115.31 118.36 1vwt h LEU 105 Ca 0.08 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1vwt h LEU 105 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1vwt h LEU 105 CO 0.02 0.72 0.25 0.25 0.09 0.00 0.00 178.44 179.77 1vwt h LEU 106 N 0.89 0.94 -0.76 1.67 5.85 -1.23 -1.11 115.31 121.56 1vwt h LEU 106 Ca 0.23 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1vwt h LEU 106 Cb 0.09 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1vwt h LEU 106 CO -0.03 0.85 0.47 1.23 -0.34 0.00 0.00 178.44 180.62 1vwt h GLY 107 N 1.07 1.10 1.14 3.75 0.00 -0.91 0.79 103.07 110.00 1vwt h GLY 107 Ca 0.23 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 1vwt h GLY 107 CO -0.02 0.43 -0.30 3.43 0.00 0.00 0.00 176.54 180.09 1vwt h ASN 108 N 1.04 1.00 -0.59 0.19 2.35 -1.01 -2.44 115.58 116.12 1vwt h ASN 108 Ca 0.27 -0.42 -0.08 0.00 -0.55 0.00 0.00 56.30 55.53 1vwt h ASN 108 Cb -0.06 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 1vwt h ASN 108 CO -0.05 1.21 0.07 0.58 -1.65 0.00 0.00 177.43 177.59 1vwt h VAL 109 N 0.81 1.26 -0.99 2.81 2.07 -0.90 -2.32 116.25 118.98 1vwt h VAL 109 Ca 0.09 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.62 1vwt h VAL 109 Cb 0.88 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1vwt h VAL 109 CO 0.08 0.38 0.64 0.25 0.02 0.00 0.00 177.57 178.94 1vwt h LEU 110 N 0.89 1.07 -0.67 2.57 5.85 -0.69 -0.97 115.31 123.36 1vwt h LEU 110 Ca 0.18 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1vwt h LEU 110 Cb 0.46 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1vwt h LEU 110 CO 0.02 0.73 0.17 0.58 -0.34 0.00 0.00 178.44 179.59 1vwt h VAL 111 N 1.24 1.26 -0.62 1.05 2.07 -1.14 -0.49 116.25 119.62 1vwt h VAL 111 Ca 0.40 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1vwt h VAL 111 Cb 0.02 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1vwt h VAL 111 CO -0.13 0.36 0.25 0.00 0.02 0.00 0.00 177.57 178.07 1vwt h VAL 113 N 0.89 1.29 -0.83 0.00 2.07 -0.71 0.29 116.25 119.25 1vwt h VAL 113 Ca 0.21 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1vwt h VAL 113 Cb 0.17 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1vwt h VAL 113 CO -0.02 0.38 0.38 -0.07 0.02 0.00 0.00 177.57 178.26 1vwt h LEU 114 N 0.33 1.09 -0.40 2.57 3.38 -0.85 0.63 115.31 122.06 1vwt h LEU 114 Ca 0.07 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1vwt h LEU 114 Cb 0.62 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1vwt h LEU 114 CO 0.04 0.93 0.06 0.00 0.09 0.00 0.00 178.44 179.56 1vwt h ALA 115 N 1.23 0.53 -0.60 1.53 0.00 -1.03 0.99 119.26 121.91 1vwt h ALA 115 Ca 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1vwt h ALA 115 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1vwt h ALA 115 CO -0.03 0.25 0.26 1.25 0.00 0.00 0.00 179.25 180.98 1vwt h HIS 116 N 0.51 0.88 -0.08 0.00 -0.00 -0.56 -0.68 115.15 115.23 1vwt h HIS 116 Ca 0.12 -0.06 -0.07 0.00 -0.00 0.00 0.00 60.37 60.37 1vwt h HIS 116 Cb 0.37 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1vwt h HIS 116 CO 0.03 0.69 -0.21 1.25 -0.00 0.00 0.00 177.93 179.69 1vwt h HIS 117 N 0.82 0.37 -0.00 5.26 6.17 -0.72 -3.35 115.15 123.70 1vwt h HIS 117 Ca 0.20 -0.14 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1vwt h HIS 117 Cb 0.16 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.03 1vwt h HIS 117 CO 0.00 0.82 -0.57 1.19 0.71 0.00 0.00 177.93 180.09 1vwt n PHE 118 N -4.53 0.00 -1.21 5.26 3.72 0.33 -5.04 117.46 115.98 1vwt n PHE 118 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1vwt n PHE 118 Cb 0.42 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1vwt n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vwt n GLY 119 N 1.47 3.29 0.33 1.37 0.00 -0.26 -2.63 105.19 108.76 1vwt n GLY 119 Ca 0.06 -0.16 0.21 0.00 0.00 0.00 0.00 46.02 46.14 1vwt n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vwt h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 -1.15 116.57 117.17 1vwt h LYS 120 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1vwt h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1vwt h LYS 120 CO 0.00 0.00 -0.11 1.49 -2.00 0.00 0.00 179.45 178.83 1vwt h GLU 121 N 0.00 0.00 -3.93 0.07 4.81 -1.90 -3.30 114.58 110.33 1vwt h GLU 121 Ca 0.00 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.49 1vwt h GLU 121 Cb 0.08 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.31 1vwt h GLU 121 CO -0.00 0.11 2.03 0.34 -0.73 0.00 0.00 179.01 180.75 1vwt n PHE 122 N -3.28 3.51 -1.36 0.92 7.35 -0.44 -4.94 117.46 119.22 1vwt n PHE 122 Ca 0.00 -2.93 -0.31 0.00 -0.76 0.00 0.00 57.45 53.45 1vwt n PHE 122 Cb 0.35 -2.10 0.08 0.00 0.35 0.00 0.00 39.48 38.15 1vwt n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1vwt s THR 123 N 1.13 3.56 0.23 -2.13 -4.23 -1.25 -4.72 115.64 108.23 1vwt s THR 123 Ca 0.42 0.51 -0.10 0.00 -1.18 0.00 0.00 61.69 61.33 1vwt s THR 123 Cb 0.07 -3.08 0.26 0.00 1.34 0.00 0.00 72.50 71.09 1vwt s THR 123 CO -0.00 -0.66 1.63 -0.65 -0.54 0.00 0.00 174.62 174.40 1vwt h PRO 124 N -1.00 0.06 -0.61 3.99 0.11 -1.93 0.94 132.00 133.56 1vwt h PRO 124 Ca -0.44 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1vwt h PRO 124 Cb 1.22 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1vwt h PRO 124 CO 0.53 0.04 0.27 -1.35 -0.21 0.00 0.00 178.00 177.28 1vwt h PRO 125 N 0.06 0.88 -0.41 1.05 0.11 -1.99 -0.43 132.00 131.27 1vwt h PRO 125 Ca 0.36 -0.12 -0.09 0.00 0.11 0.00 0.00 66.00 66.26 1vwt h PRO 125 Cb 0.60 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1vwt h PRO 125 CO -0.66 0.70 -0.08 0.28 -0.21 0.00 0.00 178.00 178.03 1vwt h VAL 126 N 0.87 1.27 -0.83 3.15 2.07 -1.35 -2.29 116.25 119.15 1vwt h VAL 126 Ca 0.21 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1vwt h VAL 126 Cb 0.13 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1vwt h VAL 126 CO -0.02 0.39 0.49 -0.61 0.02 0.00 0.00 177.57 177.84 1vwt h GLN 127 N 0.60 1.13 -0.69 1.57 4.15 -0.51 -1.93 115.11 119.43 1vwt h GLN 127 Ca 0.11 -0.11 0.06 0.00 0.77 0.00 0.00 58.65 59.48 1vwt h GLN 127 Cb 0.60 -0.23 -0.06 0.00 0.21 0.00 0.00 27.48 28.00 1vwt h GLN 127 CO 0.04 0.81 0.39 0.00 -1.93 0.00 0.00 178.83 178.14 1vwt h ALA 128 N 1.26 0.94 -0.56 3.38 0.00 -0.85 0.14 119.26 123.56 1vwt h ALA 128 Ca 0.30 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1vwt h ALA 128 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1vwt h ALA 128 CO -0.05 0.08 -0.00 0.00 0.00 0.00 0.00 179.25 179.27 1vwt h ALA 129 N 1.36 0.93 -0.01 0.00 0.00 -0.91 -2.81 119.26 117.82 1vwt h ALA 129 Ca 0.31 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1vwt h ALA 129 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1vwt h ALA 129 CO -0.18 0.64 -0.58 1.88 0.00 0.00 0.00 179.25 181.01 1vwt h TYR 130 N 0.89 0.05 -0.20 0.00 0.05 -0.58 -2.56 116.97 114.62 1vwt h TYR 130 Ca 0.16 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.83 1vwt h TYR 130 Cb 0.53 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 1vwt h TYR 130 CO 0.03 0.61 -0.29 1.96 -1.05 0.00 0.00 178.16 179.42 1vwt h GLN 131 N 0.03 0.40 -0.52 4.88 1.08 -0.54 -0.94 115.11 119.49 1vwt h GLN 131 Ca -0.01 -0.16 -0.12 0.00 -1.45 0.00 0.00 58.65 56.91 1vwt h GLN 131 Cb 1.03 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.43 1vwt h GLN 131 CO 0.08 0.66 -0.16 0.87 -0.95 0.00 0.00 178.83 179.33 1vwt h LYS 132 N 0.35 1.02 0.17 1.46 1.57 -1.28 -2.43 116.57 117.43 1vwt h LYS 132 Ca 0.05 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1vwt h LYS 132 Cb 0.69 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1vwt h LYS 132 CO 0.05 1.09 -0.08 0.28 -0.57 0.00 0.00 179.45 180.22 1vwt h VAL 133 N 0.89 0.94 -0.27 0.50 2.07 -1.03 -1.70 116.25 117.65 1vwt h VAL 133 Ca 0.13 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1vwt h VAL 133 Cb 0.73 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1vwt h VAL 133 CO 0.06 0.13 0.03 -0.37 0.02 0.00 0.00 177.57 177.44 1vwt h VAL 134 N -0.50 1.15 -0.39 2.57 -1.51 -1.22 -0.20 116.25 116.15 1vwt h VAL 134 Ca -0.02 -0.55 -0.12 0.00 -1.23 0.00 0.00 66.70 64.77 1vwt h VAL 134 Cb 0.39 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1vwt h VAL 134 CO 0.04 0.19 -0.25 0.00 -1.23 0.00 0.00 177.57 176.32 1vwt h ALA 135 N 1.66 0.84 -0.46 5.19 0.00 -1.39 -0.57 119.26 124.52 1vwt h ALA 135 Ca 0.09 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1vwt h ALA 135 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1vwt h ALA 135 CO 0.00 0.64 -0.26 0.78 0.00 0.00 0.00 179.25 180.41 1vwt h GLY 136 N 0.95 1.08 0.98 0.00 0.00 -0.33 -1.44 103.07 104.31 1vwt h GLY 136 Ca 0.09 -0.99 -0.09 0.00 0.00 0.00 0.00 47.33 46.34 1vwt h GLY 136 CO 0.06 0.90 -0.09 -2.08 0.00 0.00 0.00 176.54 175.34 1vwt h VAL 137 N 0.84 1.27 -0.84 4.60 2.07 -0.93 -0.60 116.25 122.67 1vwt h VAL 137 Ca 0.10 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1vwt h VAL 137 Cb 0.85 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1vwt h VAL 137 CO 0.07 0.39 0.40 0.00 0.02 0.00 0.00 177.57 178.46 1vwt h ALA 138 N 0.85 1.12 0.00 1.67 0.00 -1.02 -0.85 119.26 121.03 1vwt h ALA 138 Ca 0.10 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1vwt h ALA 138 Cb 0.60 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1vwt h ALA 138 CO 0.04 0.66 -0.64 -0.91 0.00 0.00 0.00 179.25 178.40 1vwt h ASN 139 N 1.20 0.00 -0.00 0.00 -0.26 -1.10 -2.44 115.58 112.98 1vwt h ASN 139 Ca 0.29 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.88 1vwt h ASN 139 Cb 0.12 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1vwt h ASN 139 CO -0.04 0.64 -0.47 0.00 -1.06 0.00 0.00 177.43 176.51 1vwt h ALA 140 N 1.36 0.79 0.00 -0.83 0.00 -0.57 -2.09 119.26 117.92 1vwt h ALA 140 Ca -0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1vwt h ALA 140 Cb 1.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1vwt h ALA 140 CO 0.08 0.66 -0.32 -0.07 0.00 0.00 0.00 179.25 179.60 1vwt h LEU 141 N 0.44 0.00 -0.46 0.00 3.38 -1.03 -3.06 115.31 114.58 1vwt h LEU 141 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1vwt h LEU 141 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1vwt h LEU 141 CO 0.09 0.32 -0.45 0.00 0.09 0.00 0.00 178.44 178.49 1vwt n ALA 142 N -2.22 3.51 -0.19 1.53 0.00 -0.93 -4.43 120.51 117.78 1vwt n ALA 142 Ca 0.01 -0.48 0.09 0.00 0.00 0.00 0.00 53.44 53.06 1vwt n ALA 142 Cb 0.57 -1.00 0.38 0.00 0.00 0.00 0.00 19.45 19.40 1vwt n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1vwt h HIS 143 N 1.11 0.73 -0.40 0.00 6.17 -1.27 -2.75 115.15 118.74 1vwt h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1vwt h HIS 143 Cb 0.57 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.26 1vwt h HIS 143 CO 0.00 0.35 0.00 1.63 0.71 0.00 0.00 177.93 180.62 1vwt n LYS 144 N -4.50 2.14 -2.20 5.26 4.01 -1.26 -4.95 118.16 116.66 1vwt n LYS 144 Ca 0.12 -1.75 -0.37 0.00 -0.51 0.00 0.00 58.31 55.81 1vwt n LYS 144 Cb 0.32 -1.42 -0.00 0.00 -0.51 0.00 0.00 35.03 33.41 1vwt n LYS 144 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1vwt s TYR 145 N -1.47 2.82 0.00 2.13 1.51 -1.04 -4.77 117.35 116.53 1vwt s TYR 145 Ca 0.35 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.92 1vwt s TYR 145 Cb 0.19 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.60 1vwt s TYR 145 CO 0.26 -1.66 0.00 -2.39 -1.11 0.00 0.00 175.55 170.65