#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vas s THR 5 N 0.00 1.60 0.10 -5.08 -4.23 -1.26 -4.84 115.64 101.93 2vas s THR 5 Ca 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 2vas s THR 5 Cb 0.00 -2.36 -0.07 0.00 1.34 0.00 0.00 72.50 71.41 2vas s THR 5 CO 0.00 0.00 1.47 -0.33 -0.54 0.00 0.00 174.62 175.22 2vas h GLU 6 N -2.69 0.64 -0.45 3.99 5.08 -2.06 -2.85 114.58 116.23 2vas h GLU 6 Ca -0.48 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 57.60 2vas h GLU 6 Cb 1.31 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 2vas h GLU 6 CO 0.38 0.86 0.25 1.49 -1.00 0.00 0.00 179.01 180.99 2vas h GLU 7 N 0.39 0.63 -0.17 2.33 4.81 -2.01 -3.11 114.58 117.45 2vas h GLU 7 Ca 0.07 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2vas h GLU 7 Cb 0.67 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2vas h GLU 7 CO 0.04 0.50 -0.17 1.96 -0.73 0.00 0.00 179.01 180.62 2vas h GLN 8 N 0.60 0.28 -0.06 1.92 4.20 -1.92 -2.84 115.11 117.29 2vas h GLN 8 Ca 0.16 -0.08 -0.17 0.00 0.06 0.00 0.00 58.65 58.63 2vas h GLN 8 Cb 0.05 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2vas h GLN 8 CO -0.03 0.45 -0.70 0.97 -0.67 0.00 0.00 178.83 178.86 2vas h ILE 9 N 0.26 1.41 -0.16 2.54 2.10 -1.44 -2.79 117.51 119.42 2vas h ILE 9 Ca 0.05 -2.16 -0.13 0.00 1.08 0.00 0.00 64.86 63.69 2vas h ILE 9 Cb 0.45 2.13 -0.01 0.00 -1.09 0.00 0.00 36.82 38.30 2vas h ILE 9 CO 0.03 0.64 -0.47 0.00 -1.08 0.00 0.00 178.15 177.27 2vas h ALA 10 N 1.07 0.89 -0.12 0.18 0.00 -1.45 -2.69 119.26 117.13 2vas h ALA 10 Ca -0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 2vas h ALA 10 Cb 1.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2vas h ALA 10 CO 0.11 0.65 -0.68 0.93 0.00 0.00 0.00 179.25 180.27 2vas h GLU 11 N 0.33 0.50 0.00 0.00 4.39 -1.48 -3.03 114.58 115.30 2vas h GLU 11 Ca 0.02 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 2vas h GLU 11 Cb 0.96 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2vas h GLU 11 CO 0.08 1.00 -0.17 0.74 -1.16 0.00 0.00 179.01 179.51 2vas h PHE 12 N 0.36 0.00 -0.22 4.33 -1.00 -1.41 -2.55 116.94 116.45 2vas h PHE 12 Ca -0.02 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.56 2vas h PHE 12 Cb 1.25 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.82 2vas h PHE 12 CO 0.05 0.17 -0.65 -0.22 -1.61 0.00 0.00 178.31 176.04 2vas h LYS 13 N 0.00 0.83 -0.35 1.51 3.64 -1.36 -0.03 116.57 120.81 2vas h LYS 13 Ca -0.00 -0.60 -0.12 0.00 -1.27 0.00 0.00 60.65 58.66 2vas h LYS 13 Cb 0.58 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2vas h LYS 13 CO 0.02 1.22 -0.27 0.93 -2.27 0.00 0.00 179.45 179.09 2vas h GLU 14 N 0.59 0.80 -0.79 1.90 4.39 -1.50 -2.78 114.58 117.18 2vas h GLU 14 Ca -0.02 -0.39 0.05 0.00 0.34 0.00 0.00 59.36 59.34 2vas h GLU 14 Cb 1.27 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.87 2vas h GLU 14 CO 0.14 1.02 0.49 0.00 -1.16 0.00 0.00 179.01 179.49 2vas h ALA 15 N 0.76 1.06 -0.40 3.43 0.00 -1.42 -2.35 119.26 120.34 2vas h ALA 15 Ca 0.07 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2vas h ALA 15 Cb 0.84 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2vas h ALA 15 CO 0.07 0.24 0.28 0.35 0.00 0.00 0.00 179.25 180.19 2vas h PHE 16 N 0.91 0.13 0.00 0.00 3.04 -0.80 -1.79 116.94 118.43 2vas h PHE 16 Ca 0.34 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.29 2vas h PHE 16 Cb 0.12 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.58 2vas h PHE 16 CO -0.04 0.07 -0.02 0.66 -2.02 0.00 0.00 178.31 176.96 2vas h SER 17 N 0.13 0.00 0.77 0.41 4.64 -1.15 0.45 113.55 118.79 2vas h SER 17 Ca 0.19 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 2vas h SER 17 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 2vas h SER 17 CO -0.02 0.02 -0.73 -0.07 -0.87 0.00 0.00 176.83 175.15 2vas h LEU 18 N 0.00 0.00 -0.02 5.97 3.38 -1.42 -3.20 115.31 120.02 2vas h LEU 18 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2vas h LEU 18 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2vas h LEU 18 CO 0.00 0.73 -0.09 -0.26 0.09 0.00 0.00 178.44 178.92 2vas h PHE 19 N 0.00 0.12 -2.25 1.13 -1.00 -1.36 -3.39 116.94 110.19 2vas h PHE 19 Ca -0.01 -0.05 -0.76 0.00 2.81 0.00 0.00 57.97 59.96 2vas h PHE 19 Cb 1.31 -0.02 -0.20 0.00 3.61 0.00 0.00 35.95 40.65 2vas h PHE 19 CO 0.00 0.74 1.34 -3.47 -1.61 0.00 0.00 178.31 175.31 2vas n ASP 20 N -4.68 5.40 0.04 2.17 2.03 0.04 -4.84 116.55 116.72 2vas n ASP 20 Ca -0.09 -3.09 -0.04 0.00 0.52 0.00 0.00 54.79 52.09 2vas n ASP 20 Cb 0.37 -1.47 0.17 0.00 -0.72 0.00 0.00 41.12 39.48 2vas n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2vas h LYS 21 N 6.37 0.42 0.00 -0.67 1.79 -1.77 -3.03 116.57 119.68 2vas h LYS 21 Ca 0.30 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2vas h LYS 21 Cb 0.76 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2vas h LYS 21 CO 1.34 0.74 -0.17 -0.40 -1.08 0.00 0.00 179.45 179.88 2vas n ASP 22 N -4.05 0.52 -0.67 0.86 3.85 -1.26 -4.97 116.55 110.83 2vas n ASP 22 Ca -0.01 0.38 -0.03 0.00 -0.71 0.00 0.00 54.79 54.42 2vas n ASP 22 Cb 0.48 -0.42 0.01 0.00 -1.35 0.00 0.00 41.12 39.83 2vas n ASP 22 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2vas n GLY 23 N 1.39 0.57 0.12 6.12 0.00 -1.14 -4.96 105.19 107.28 2vas n GLY 23 Ca 0.06 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.52 2vas n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vas n ASP 24 N 1.14 1.14 0.00 1.61 3.85 -1.26 -4.98 116.55 118.05 2vas n ASP 24 Ca -0.01 -1.07 0.00 0.00 -0.71 0.00 0.00 54.79 53.00 2vas n ASP 24 Cb 0.51 0.86 0.00 0.00 -1.35 0.00 0.00 41.12 41.14 2vas n ASP 24 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2vas n GLY 25 N 1.40 0.90 3.14 6.12 0.00 -1.26 -5.09 105.19 110.40 2vas n GLY 25 Ca 0.05 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2vas n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vas s THR 26 N -2.00 1.45 0.10 2.61 2.01 -1.26 -4.10 115.64 114.45 2vas s THR 26 Ca 0.00 -0.73 0.09 0.00 0.31 0.00 0.00 61.69 61.36 2vas s THR 26 Cb 0.00 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2vas s THR 26 CO 0.00 0.42 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.54 2vas s ILE 27 N 0.04 2.83 0.00 1.82 1.01 0.17 -4.75 121.20 122.32 2vas s ILE 27 Ca -0.04 -1.44 0.00 0.00 0.00 0.00 0.00 60.65 59.17 2vas s ILE 27 Cb -0.12 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.07 2vas s ILE 27 CO 0.02 0.14 0.00 0.35 0.00 0.00 0.00 174.94 175.46 2vas n THR 28 N 0.94 0.00 0.13 2.92 -2.24 -1.26 -1.36 114.28 113.40 2vas n THR 28 Ca -0.16 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 2vas n THR 28 Cb 0.53 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.97 2vas n THR 28 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2vas h THR 29 N 0.92 1.36 -0.18 4.28 2.02 -1.98 -2.60 112.91 116.73 2vas h THR 29 Ca 0.00 -1.74 -0.00 0.00 0.77 0.00 0.00 66.41 65.44 2vas h THR 29 Cb 0.00 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2vas h THR 29 CO 0.00 0.51 0.11 0.50 0.37 0.00 0.00 175.52 177.01 2vas h LYS 30 N 0.09 0.25 0.02 6.66 3.64 -1.96 -1.16 116.57 124.10 2vas h LYS 30 Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2vas h LYS 30 Cb 0.92 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2vas h LYS 30 CO 0.07 0.21 -0.01 0.93 -2.27 0.00 0.00 179.45 178.38 2vas h GLU 31 N 0.21 -0.02 -0.51 1.90 3.07 -1.88 -2.41 114.58 114.94 2vas h GLU 31 Ca 0.07 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.02 2vas h GLU 31 Cb 0.03 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 27.86 2vas h GLU 31 CO -0.01 0.18 0.06 1.25 -1.40 0.00 0.00 179.01 179.09 2vas h LEU 32 N -0.23 -0.09 0.22 1.33 5.85 -1.39 -2.61 115.31 118.40 2vas h LEU 32 Ca -0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2vas h LEU 32 Cb 0.22 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2vas h LEU 32 CO 0.00 -0.02 -0.11 1.23 -0.34 0.00 0.00 178.44 179.21 2vas h GLY 33 N 0.19 -0.32 -0.15 3.75 0.00 -1.22 -2.91 103.07 102.42 2vas h GLY 33 Ca 0.26 0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.81 2vas h GLY 33 CO -0.37 -0.11 -0.19 -0.84 0.00 0.00 0.00 176.54 175.03 2vas h THR 34 N -0.54 0.38 -0.30 4.70 2.02 -1.22 -1.30 112.91 116.64 2vas h THR 34 Ca -0.03 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 2vas h THR 34 Cb 0.40 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2vas h THR 34 CO 0.05 0.00 -0.38 0.58 0.37 0.00 0.00 175.52 176.14 2vas h VAL 35 N -0.06 1.29 -0.45 3.16 2.07 -1.55 -1.85 116.25 118.86 2vas h VAL 35 Ca 0.25 -1.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 2vas h VAL 35 Cb 0.45 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2vas h VAL 35 CO -0.58 0.50 0.05 0.24 0.02 0.00 0.00 177.57 177.80 2vas h MET 36 N 0.59 0.75 -0.27 1.57 2.86 -1.20 -3.05 114.93 116.18 2vas h MET 36 Ca 0.05 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 2vas h MET 36 Cb 0.91 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 2vas h MET 36 CO 0.08 0.79 0.10 0.00 1.06 0.00 0.00 176.91 178.94 2vas h ARG 37 N 0.61 0.41 0.00 1.72 3.08 -1.07 -2.65 114.38 116.47 2vas h ARG 37 Ca 0.13 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2vas h ARG 37 Cb 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2vas h ARG 37 CO 0.01 0.46 0.00 -1.13 -1.07 0.00 0.00 179.97 178.24 2vas n SER 38 N -4.75 0.00 -0.55 7.04 3.41 -0.70 0.32 113.62 118.39 2vas n SER 38 Ca -0.03 0.44 0.06 0.00 -0.26 0.00 0.00 58.87 59.08 2vas n SER 38 Cb 0.15 -0.44 0.19 0.00 -0.26 0.00 0.00 64.21 63.85 2vas n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2vas n LEU 39 N -1.44 2.85 -1.76 1.04 4.77 -1.05 -4.71 117.00 116.70 2vas n LEU 39 Ca 0.00 -3.64 -0.04 0.00 -0.03 0.00 0.00 56.01 52.31 2vas n LEU 39 Cb 0.01 -0.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.60 2vas n LEU 39 CO 0.01 1.17 0.02 0.61 -1.33 0.00 0.00 177.39 177.87 2vas n GLY 40 N -1.18 0.35 3.25 -0.72 0.00 0.15 -5.03 105.19 102.01 2vas n GLY 40 Ca 0.20 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2vas n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2vas s GLN 41 N -3.77 0.41 -0.62 1.61 2.00 -1.03 -4.99 119.66 113.28 2vas s GLN 41 Ca 0.06 0.56 0.05 0.00 -2.00 0.00 0.00 55.36 54.03 2vas s GLN 41 Cb -0.01 0.15 0.17 0.00 0.80 0.00 0.00 33.01 34.12 2vas s GLN 41 CO 0.17 -0.08 0.45 1.21 -0.50 0.00 0.00 175.29 176.55 2vas s ASN 42 N 0.46 3.84 0.28 6.67 2.47 -1.26 -2.78 114.94 124.62 2vas s ASN 42 Ca -0.02 -3.62 -0.26 0.00 0.42 0.00 0.00 52.86 49.37 2vas s ASN 42 Cb -0.04 -1.29 -0.09 0.00 -1.45 0.00 0.00 41.25 38.38 2vas s ASN 42 CO -0.02 -0.11 0.90 -2.16 -3.72 0.00 0.00 177.10 171.99 2vas s PRO 43 N -1.01 4.61 0.66 0.43 0.04 -1.26 -5.06 135.00 133.42 2vas s PRO 43 Ca 0.27 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.51 2vas s PRO 43 Cb -0.02 -2.97 0.01 0.00 0.04 0.00 0.00 34.50 31.55 2vas s PRO 43 CO -0.17 0.38 1.03 -0.08 0.04 0.00 0.00 177.00 178.20 2vas s THR 44 N -1.45 3.63 0.20 1.26 -1.32 -1.26 -4.90 115.64 111.80 2vas s THR 44 Ca 0.46 0.37 -0.12 0.00 -1.21 0.00 0.00 61.69 61.18 2vas s THR 44 Cb -0.21 -3.50 0.13 0.00 -1.51 0.00 0.00 72.50 67.42 2vas s THR 44 CO 0.26 -0.62 1.70 -0.08 -2.21 0.00 0.00 174.62 173.67 2vas h GLU 45 N -0.48 0.21 -0.41 7.08 4.57 -2.00 -2.20 114.58 121.35 2vas h GLU 45 Ca -0.45 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.60 2vas h GLU 45 Cb 1.25 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 2vas h GLU 45 CO 0.63 0.14 -0.23 0.00 -1.18 0.00 0.00 179.01 178.37 2vas h ALA 46 N 1.43 0.83 -0.64 2.92 0.00 -1.98 -1.91 119.26 119.91 2vas h ALA 46 Ca 0.27 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2vas h ALA 46 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2vas h ALA 46 CO -0.38 0.64 0.39 0.93 0.00 0.00 0.00 179.25 180.84 2vas h GLU 47 N 0.72 0.87 0.10 0.00 5.08 -1.87 0.18 114.58 119.66 2vas h GLU 47 Ca 0.10 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2vas h GLU 47 Cb 0.76 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2vas h GLU 47 CO 0.06 0.61 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.56 2vas h LEU 48 N 0.87 -0.12 -1.06 1.33 3.38 -1.32 -2.26 115.31 116.13 2vas h LEU 48 Ca 0.23 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2vas h LEU 48 Cb -0.03 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2vas h LEU 48 CO -0.04 0.14 0.63 -0.61 0.09 0.00 0.00 178.44 178.64 2vas h GLN 49 N -0.38 1.16 -0.72 1.13 5.75 -1.27 -1.13 115.11 119.66 2vas h GLN 49 Ca -0.01 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.37 2vas h GLN 49 Cb 0.31 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 2vas h GLN 49 CO 0.02 0.77 0.25 -0.44 -2.65 0.00 0.00 178.83 176.78 2vas h ASP 50 N 1.19 1.01 0.64 -0.69 5.19 -0.59 -2.86 116.42 120.31 2vas h ASP 50 Ca 0.39 -0.17 -0.18 0.00 -0.62 0.00 0.00 57.03 56.46 2vas h ASP 50 Cb 0.05 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.28 2vas h ASP 50 CO -0.13 0.92 -0.81 -0.03 -3.12 0.00 0.00 179.24 176.07 2vas h MET 51 N 1.05 0.12 -0.28 3.56 4.05 -0.97 -3.27 114.93 119.19 2vas h MET 51 Ca 0.24 -0.12 0.05 0.00 -0.28 0.00 0.00 59.70 59.58 2vas h MET 51 Cb 0.25 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.04 2vas h MET 51 CO -0.01 0.86 0.02 0.82 0.23 0.00 0.00 176.91 178.83 2vas h ILE 52 N 0.07 0.82 -1.07 1.77 1.08 -1.00 -3.13 117.51 116.06 2vas h ILE 52 Ca -0.03 -0.04 0.29 0.00 -0.39 0.00 0.00 64.86 64.69 2vas h ILE 52 Cb 1.41 0.70 -0.10 0.00 -3.07 0.00 0.00 36.82 35.76 2vas h ILE 52 CO 0.12 0.02 0.68 0.78 -0.69 0.00 0.00 178.15 179.05 2vas h ASN 53 N 0.11 0.45 -0.88 1.72 -0.26 -1.57 -2.54 115.58 112.62 2vas h ASN 53 Ca 0.13 0.10 0.17 0.00 -0.56 0.00 0.00 56.30 56.14 2vas h ASN 53 Cb 0.16 0.03 -0.16 0.00 -1.06 0.00 0.00 38.32 37.30 2vas h ASN 53 CO -0.21 0.04 -0.26 -0.08 -1.06 0.00 0.00 177.43 175.87 2vas h GLU 54 N 0.38 -0.02 0.00 0.81 4.57 -1.72 -3.07 114.58 115.53 2vas h GLU 54 Ca 0.63 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.82 2vas h GLU 54 Cb 1.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 2vas h GLU 54 CO -0.35 -0.01 -0.14 1.33 -1.18 0.00 0.00 179.01 178.66 2vas n VAL 55 N -5.54 1.27 -3.27 0.32 0.24 -1.04 -4.88 118.33 105.43 2vas n VAL 55 Ca 0.12 -1.52 -0.45 0.00 -2.04 0.00 0.00 64.34 60.46 2vas n VAL 55 Cb 0.43 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 2vas n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2vas n ASP 56 N -0.95 5.51 0.12 -1.34 4.64 -0.98 -4.89 116.55 118.65 2vas n ASP 56 Ca 0.10 -3.04 -0.13 0.00 -1.38 0.00 0.00 54.79 50.34 2vas n ASP 56 Cb 0.63 -1.40 -0.07 0.00 -1.04 0.00 0.00 41.12 39.24 2vas n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2vas h ALA 57 N 6.67 -0.24 -2.21 -1.67 0.00 -1.90 -3.39 119.26 116.52 2vas h ALA 57 Ca 0.20 -0.04 -0.61 0.00 0.00 0.00 0.00 54.91 54.46 2vas h ALA 57 Cb 0.86 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.68 2vas h ALA 57 CO 1.06 -0.65 0.33 0.16 0.00 0.00 0.00 179.25 180.16 2vas s ASP 58 N -4.96 6.54 -0.59 0.00 1.47 -1.26 -4.96 116.67 112.90 2vas s ASP 58 Ca -0.14 0.35 -0.24 0.00 1.18 0.00 0.00 52.55 53.69 2vas s ASP 58 Cb 0.06 -2.38 -0.21 0.00 -0.34 0.00 0.00 42.92 40.04 2vas s ASP 58 CO 0.65 -0.69 1.84 0.61 0.68 0.00 0.00 175.17 178.27 2vas n GLY 59 N 4.52 1.99 0.00 2.12 0.00 -1.26 -4.19 105.19 108.36 2vas n GLY 59 Ca 0.02 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2vas n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vas n ASN 60 N 8.12 2.81 0.00 1.61 0.23 -1.26 -5.04 115.26 121.73 2vas n ASN 60 Ca 0.49 -0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 2vas n ASN 60 Cb 0.41 0.85 0.00 0.00 -2.08 0.00 0.00 39.78 38.96 2vas n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2vas n GLY 61 N 1.70 0.72 3.82 4.83 0.00 -1.26 -5.08 105.19 109.91 2vas n GLY 61 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2vas n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2vas s THR 62 N -2.00 4.47 -0.14 2.61 -1.32 -1.26 -4.25 115.64 113.75 2vas s THR 62 Ca 0.00 -1.27 -0.08 0.00 -1.21 0.00 0.00 61.69 59.12 2vas s THR 62 Cb 0.00 -3.36 0.05 0.00 -1.51 0.00 0.00 72.50 67.67 2vas s THR 62 CO 0.00 -0.25 0.33 -0.63 -2.21 0.00 0.00 174.62 171.86 2vas s ILE 63 N -1.98 -0.02 0.61 5.08 1.01 -0.46 -4.83 121.20 120.59 2vas s ILE 63 Ca 0.32 0.09 0.02 0.00 0.00 0.00 0.00 60.65 61.08 2vas s ILE 63 Cb -0.09 -0.49 0.07 0.00 0.01 0.00 0.00 42.46 41.96 2vas s ILE 63 CO 0.24 0.04 0.84 1.51 0.00 0.00 0.00 174.94 177.57 2vas s ASP 64 N 1.04 4.94 0.08 3.58 -4.77 -1.26 -0.66 116.67 119.61 2vas s ASP 64 Ca -0.07 -0.30 -0.26 0.00 -3.30 0.00 0.00 52.55 48.62 2vas s ASP 64 Cb -0.08 -0.36 -0.16 0.00 -1.09 0.00 0.00 42.92 41.23 2vas s ASP 64 CO -0.08 -1.41 1.68 0.15 0.70 0.00 0.00 175.17 176.21 2vas h PHE 65 N -0.09 -0.25 -0.25 2.11 3.57 -2.00 -2.06 116.94 117.97 2vas h PHE 65 Ca -0.38 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2vas h PHE 65 Cb 1.28 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 2vas h PHE 65 CO 0.17 -0.13 0.16 -1.35 -2.23 0.00 0.00 178.31 174.93 2vas h PRO 66 N -0.29 0.34 -0.40 6.41 0.11 -1.96 -0.84 132.00 135.36 2vas h PRO 66 Ca -0.03 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 2vas h PRO 66 Cb 0.22 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 2vas h PRO 66 CO 0.04 0.23 -0.22 0.93 -0.21 0.00 0.00 178.00 178.77 2vas h GLU 67 N 0.35 0.79 -0.79 1.05 5.08 -1.94 -2.89 114.58 116.23 2vas h GLU 67 Ca 0.09 -0.32 0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2vas h GLU 67 Cb -0.03 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 2vas h GLU 67 CO -0.02 0.94 0.52 0.35 -1.00 0.00 0.00 179.01 179.80 2vas h PHE 68 N 0.69 0.82 -0.34 4.33 3.57 -0.42 -1.32 116.94 124.28 2vas h PHE 68 Ca 0.10 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 2vas h PHE 68 Cb 0.74 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2vas h PHE 68 CO 0.04 0.40 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.16 2vas h LEU 69 N 0.79 0.73 0.00 0.59 3.38 -1.22 -2.83 115.31 116.75 2vas h LEU 69 Ca 0.36 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2vas h LEU 69 Cb 0.36 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2vas h LEU 69 CO -0.13 0.98 -0.66 0.71 0.09 0.00 0.00 178.44 179.42 2vas h THR 70 N 0.61 1.12 0.00 0.22 1.35 -1.37 -2.44 112.91 112.40 2vas h THR 70 Ca 0.07 -2.59 -0.01 0.00 -0.55 0.00 0.00 66.41 63.34 2vas h THR 70 Cb 0.80 2.55 -0.00 0.00 -1.73 0.00 0.00 68.15 69.78 2vas h THR 70 CO 0.07 0.64 -0.03 -0.03 -0.25 0.00 0.00 175.52 175.91 2vas h MET 71 N 0.00 0.00 0.05 4.72 -1.53 -1.20 -2.92 114.93 114.05 2vas h MET 71 Ca -0.01 0.00 -0.30 0.00 -3.44 0.00 0.00 59.70 55.95 2vas h MET 71 Cb 1.51 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.52 2vas h MET 71 CO 0.08 0.03 -1.65 1.98 0.14 0.00 0.00 176.91 177.50 2vas h MET 72 N 0.00 0.10 -6.90 0.39 -1.53 -1.20 -3.47 114.93 102.31 2vas h MET 72 Ca -0.00 -0.18 -0.52 0.00 -3.44 0.00 0.00 59.70 55.56 2vas h MET 72 Cb 0.33 0.07 0.06 0.00 -0.55 0.00 0.00 31.60 31.51 2vas h MET 72 CO 0.00 0.81 0.59 0.00 0.14 0.00 0.00 176.91 178.46 2vas s ALA 73 N -2.61 3.35 0.00 0.39 0.00 -0.96 -5.11 121.76 116.83 2vas s ALA 73 Ca -0.08 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2vas s ALA 73 Cb 0.08 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2vas s ALA 73 CO 0.82 -0.63 0.00 0.54 0.00 0.00 0.00 175.76 176.49 2vas n ARG 74 N 0.50 0.00 -0.06 0.00 3.00 -1.26 -4.99 116.66 113.85 2vas n ARG 74 Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.77 2vas n ARG 74 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.84 2vas n ARG 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2vas n ASP 78 N 0.00 2.74 -0.19 0.55 10.43 -1.26 -5.25 116.55 123.57 2vas n ASP 78 Ca 0.00 -0.02 0.13 0.00 2.57 0.00 0.00 54.79 57.46 2vas n ASP 78 Cb 0.00 -0.21 0.37 0.00 1.84 0.00 0.00 41.12 43.12 2vas n ASP 78 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 2vas n THR 79 N -2.95 0.00 0.10 -3.53 5.66 -1.26 -4.41 114.28 107.90 2vas n THR 79 Ca -0.21 -0.10 -0.04 0.00 -3.05 0.00 0.00 64.05 60.65 2vas n THR 79 Cb 0.70 0.32 0.07 0.00 -1.55 0.00 0.00 70.33 69.88 2vas n THR 79 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2vas h ASP 80 N 0.91 0.09 0.50 1.09 3.32 -2.06 -3.26 116.42 117.01 2vas h ASP 80 Ca 0.00 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2vas h ASP 80 Cb 0.49 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2vas h ASP 80 CO 0.00 0.80 -0.46 0.77 -1.72 0.00 0.00 179.24 178.63 2vas h SER 81 N 0.05 -1.24 -0.20 6.45 4.64 -2.01 -2.64 113.55 118.59 2vas h SER 81 Ca -0.02 0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 2vas h SER 81 Cb 1.32 0.40 -0.02 0.00 -0.31 0.00 0.00 62.40 63.79 2vas h SER 81 CO 0.10 -0.63 -0.09 -0.08 -0.87 0.00 0.00 176.83 175.27 2vas h GLU 82 N -0.96 0.56 -0.00 4.77 4.57 -1.89 -2.30 114.58 119.33 2vas h GLU 82 Ca -0.06 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2vas h GLU 82 Cb 0.83 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2vas h GLU 82 CO -0.04 0.65 0.00 0.93 -1.18 0.00 0.00 179.01 179.37 2vas h GLU 83 N 0.52 0.00 0.13 1.92 5.08 -1.57 -0.99 114.58 119.67 2vas h GLU 83 Ca 0.10 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.18 2vas h GLU 83 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2vas h GLU 83 CO 0.03 0.00 -1.33 0.93 -1.00 0.00 0.00 179.01 177.64 2vas h GLU 84 N 0.00 0.27 -0.07 2.33 5.08 -1.05 -2.86 114.58 118.30 2vas h GLU 84 Ca 0.00 -0.47 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 2vas h GLU 84 Cb 0.01 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2vas h GLU 84 CO -0.00 1.19 -0.72 0.82 -1.00 0.00 0.00 179.01 179.31 2vas h ILE 85 N 0.07 1.40 -0.66 3.13 2.04 -1.29 -1.60 117.51 120.60 2vas h ILE 85 Ca -0.17 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 63.52 2vas h ILE 85 Cb 1.99 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 40.17 2vas h ILE 85 CO 0.19 0.64 0.36 0.03 0.00 0.00 0.00 178.15 179.38 2vas h ARG 86 N 0.23 0.93 -0.02 2.37 2.47 -1.29 -2.33 114.38 116.74 2vas h ARG 86 Ca -0.03 -0.11 -0.13 0.00 -1.26 0.00 0.00 59.98 58.45 2vas h ARG 86 Cb 1.28 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 29.40 2vas h ARG 86 CO 0.12 0.71 -0.61 1.49 0.56 0.00 0.00 179.97 182.23 2vas h GLU 87 N 0.91 0.06 -0.49 0.04 4.81 -1.40 -2.61 114.58 115.90 2vas h GLU 87 Ca 0.23 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2vas h GLU 87 Cb 0.05 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2vas h GLU 87 CO -0.04 0.65 -0.13 0.00 -0.73 0.00 0.00 179.01 178.77 2vas h ALA 88 N 1.34 0.84 -0.65 2.92 0.00 -1.17 -2.48 119.26 120.06 2vas h ALA 88 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2vas h ALA 88 Cb 1.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2vas h ALA 88 CO 0.08 0.65 0.39 0.35 0.00 0.00 0.00 179.25 180.72 2vas h PHE 89 N 0.83 0.86 0.00 0.00 3.57 -1.21 -2.74 116.94 118.26 2vas h PHE 89 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2vas h PHE 89 Cb 0.66 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2vas h PHE 89 CO 0.04 0.59 0.00 0.54 -2.23 0.00 0.00 178.31 177.25 2vas n ARG 90 N -4.57 0.21 -0.06 1.11 1.74 -1.00 -1.06 116.66 113.03 2vas n ARG 90 Ca 0.05 0.40 -0.08 0.00 -0.77 0.00 0.00 57.85 57.45 2vas n ARG 90 Cb 0.06 -1.88 0.09 0.00 -1.02 0.00 0.00 32.46 29.71 2vas n ARG 90 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2vas h VAL 91 N 0.00 1.28 0.00 1.55 2.07 -1.13 -3.31 116.25 116.72 2vas h VAL 91 Ca 0.00 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 2vas h VAL 91 Cb 0.42 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2vas h VAL 91 CO 0.00 0.47 -0.00 -0.26 0.02 0.00 0.00 177.57 177.80 2vas h PHE 92 N 0.60 -0.00 -1.04 1.57 0.04 -1.35 -3.41 116.94 113.36 2vas h PHE 92 Ca 0.07 -0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.18 2vas h PHE 92 Cb 0.81 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.87 2vas h PHE 92 CO 0.04 0.90 1.91 0.34 -0.60 0.00 0.00 178.31 180.90 2vas s ASP 93 N -6.12 6.74 0.22 2.17 2.15 -0.23 -4.62 116.67 116.98 2vas s ASP 93 Ca -0.18 -2.16 -0.05 0.00 0.43 0.00 0.00 52.55 50.59 2vas s ASP 93 Cb -0.02 -2.56 0.20 0.00 -0.30 0.00 0.00 42.92 40.24 2vas s ASP 93 CO 0.68 -1.25 1.67 0.11 -0.17 0.00 0.00 175.17 176.21 2vas h LYS 94 N 8.28 0.85 -0.23 4.34 1.57 -1.80 -2.79 116.57 126.79 2vas h LYS 94 Ca 0.36 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2vas h LYS 94 Cb 0.92 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2vas h LYS 94 CO 1.43 0.92 0.00 -0.40 -0.57 0.00 0.00 179.45 180.83 2vas n ASP 95 N -4.16 2.07 -2.25 0.86 5.75 -1.26 -4.96 116.55 112.60 2vas n ASP 95 Ca 0.01 -1.80 -0.18 0.00 -0.01 0.00 0.00 54.79 52.82 2vas n ASP 95 Cb 0.38 -0.15 -0.02 0.00 -1.03 0.00 0.00 41.12 40.29 2vas n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vas n GLY 96 N 1.20 -0.11 0.35 6.12 0.00 -1.05 -4.88 105.19 106.82 2vas n GLY 96 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2vas n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vas n ASN 97 N -1.78 1.04 0.00 1.61 6.94 -1.26 -4.92 115.26 116.90 2vas n ASN 97 Ca -0.21 -1.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 2vas n ASN 97 Cb 0.65 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 2vas n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2vas n GLY 98 N 0.96 0.75 2.91 4.83 0.00 -1.26 -5.05 105.19 108.33 2vas n GLY 98 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 2vas n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vas s PHE 99 N -2.58 0.23 -0.32 1.61 0.40 -1.26 -4.22 117.98 111.83 2vas s PHE 99 Ca 0.00 -0.04 -0.20 0.00 -0.60 0.00 0.00 56.93 56.09 2vas s PHE 99 Cb 0.00 -0.16 -0.01 0.00 0.51 0.00 0.00 43.02 43.37 2vas s PHE 99 CO 0.00 -0.01 0.61 0.42 0.70 0.00 0.00 175.22 176.94 2vas s ILE 100 N -0.00 4.94 0.45 0.64 1.01 0.15 -4.78 121.20 123.62 2vas s ILE 100 Ca 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 2vas s ILE 100 Cb -0.02 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 2vas s ILE 100 CO -0.00 -0.19 0.70 -0.94 0.00 0.00 0.00 174.94 174.51 2vas s SER 101 N 1.70 6.02 0.21 3.58 1.04 -1.26 -1.57 113.70 123.42 2vas s SER 101 Ca 0.24 0.55 -0.10 0.00 0.48 0.00 0.00 55.95 57.12 2vas s SER 101 Cb -0.15 -1.86 0.28 0.00 0.10 0.00 0.00 66.02 64.39 2vas s SER 101 CO 0.13 -0.62 1.72 0.00 0.98 0.00 0.00 173.24 175.44 2vas h ALA 102 N 0.36 0.71 -0.47 5.32 0.00 -1.92 -0.32 119.26 122.94 2vas h ALA 102 Ca -0.47 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2vas h ALA 102 Cb 1.23 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2vas h ALA 102 CO 0.60 -0.28 0.12 0.00 0.00 0.00 0.00 179.25 179.69 2vas h ALA 103 N 1.45 1.33 -0.25 0.00 0.00 -1.98 -1.29 119.26 118.53 2vas h ALA 103 Ca 0.31 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2vas h ALA 103 Cb 0.43 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2vas h ALA 103 CO -0.37 0.48 -0.40 0.93 0.00 0.00 0.00 179.25 179.88 2vas h GLU 104 N 0.68 0.72 -0.61 0.00 5.08 -1.68 -2.55 114.58 116.22 2vas h GLU 104 Ca 0.16 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2vas h GLU 104 Cb 0.25 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2vas h GLU 104 CO -0.00 1.06 0.40 1.25 -1.00 0.00 0.00 179.01 180.71 2vas h LEU 105 N 0.45 0.67 -0.88 1.33 5.85 -0.85 -2.73 115.31 119.16 2vas h LEU 105 Ca 0.02 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2vas h LEU 105 Cb 1.00 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2vas h LEU 105 CO 0.09 0.48 0.49 -0.09 -0.34 0.00 0.00 178.44 179.07 2vas h ARG 106 N 0.80 1.21 -0.09 1.25 2.43 -1.23 0.79 114.38 119.53 2vas h ARG 106 Ca 0.23 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2vas h ARG 106 Cb -0.05 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.24 2vas h ARG 106 CO -0.07 0.88 -0.04 1.25 -1.51 0.00 0.00 179.97 180.48 2vas h HIS 107 N 1.22 -0.09 0.50 2.20 2.76 -1.30 -0.32 115.15 120.13 2vas h HIS 107 Ca 0.31 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 2vas h HIS 107 Cb 0.01 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.02 2vas h HIS 107 CO 0.01 -0.06 -0.24 0.28 -1.30 0.00 0.00 177.93 176.61 2vas h VAL 108 N -0.03 0.49 -0.76 5.26 2.07 -1.16 -1.75 116.25 120.38 2vas h VAL 108 Ca 0.05 -0.15 0.10 0.00 0.82 0.00 0.00 66.70 67.52 2vas h VAL 108 Cb 0.10 0.56 -0.12 0.00 -1.52 0.00 0.00 31.29 30.31 2vas h VAL 108 CO -0.11 0.03 -0.47 -0.03 0.02 0.00 0.00 177.57 177.00 2vas h MET 109 N -0.76 -0.13 0.00 1.57 -1.53 -0.79 -2.15 114.93 111.13 2vas h MET 109 Ca -0.07 0.01 -0.13 0.00 -3.44 0.00 0.00 59.70 56.07 2vas h MET 109 Cb 0.56 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.62 2vas h MET 109 CO 0.11 -0.09 -0.63 1.79 0.14 0.00 0.00 176.91 178.24 2vas h THR 110 N -0.14 1.31 -0.78 -0.77 1.35 -1.05 -2.36 112.91 110.48 2vas h THR 110 Ca 0.20 -2.25 0.02 0.00 -0.55 0.00 0.00 66.41 63.83 2vas h THR 110 Cb 0.54 2.26 -0.04 0.00 -1.73 0.00 0.00 68.15 69.18 2vas h THR 110 CO -0.81 0.61 0.51 0.78 -0.25 0.00 0.00 175.52 176.37 2vas h ASN 111 N 0.00 0.86 -0.22 5.36 -0.26 -0.94 -2.40 115.58 117.99 2vas h ASN 111 Ca -0.01 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 2vas h ASN 111 Cb 1.21 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 38.26 2vas h ASN 111 CO 0.08 0.61 0.00 0.18 -1.06 0.00 0.00 177.43 177.24 2vas n LEU 112 N -4.43 1.28 0.00 1.61 4.77 -0.84 -4.88 117.00 114.51 2vas n LEU 112 Ca 0.09 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2vas n LEU 112 Cb 0.07 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2vas n LEU 112 CO 0.36 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2vas n GLY 113 N 0.81 0.48 3.74 -0.72 0.00 -0.90 -5.03 105.19 103.57 2vas n GLY 113 Ca 0.08 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2vas n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vas s GLU 114 N -0.51 4.74 -0.15 1.61 0.41 -0.92 -5.01 118.70 118.87 2vas s GLU 114 Ca 0.00 1.48 -0.03 0.00 -0.41 0.00 0.00 54.97 56.01 2vas s GLU 114 Cb 0.00 -3.34 -0.02 0.00 -1.78 0.00 0.00 34.13 28.98 2vas s GLU 114 CO 0.00 0.29 -0.06 -1.59 -0.49 0.00 0.00 175.26 173.41 2vas s LYS 115 N -0.36 3.59 0.04 1.61 -2.85 -1.26 -4.26 119.74 116.24 2vas s LYS 115 Ca 0.45 -0.56 -0.27 0.00 -1.00 0.00 0.00 55.97 54.59 2vas s LYS 115 Cb -0.24 -2.86 0.09 0.00 -2.06 0.00 0.00 37.83 32.76 2vas s LYS 115 CO 0.31 0.21 0.75 -0.48 0.10 0.00 0.00 175.35 176.24 2vas s LEU 116 N 0.42 -0.50 0.70 2.77 0.05 -1.26 -5.16 118.68 115.70 2vas s LEU 116 Ca -0.05 0.17 -0.11 0.00 0.05 0.00 0.00 54.13 54.18 2vas s LEU 116 Cb -0.15 2.33 0.01 0.00 -2.05 0.00 0.00 46.19 46.33 2vas s LEU 116 CO 0.03 -0.73 1.08 0.42 -0.55 0.00 0.00 176.35 176.61 2vas s THR 117 N -2.82 3.73 0.46 5.48 -4.23 -1.26 -4.91 115.64 112.09 2vas s THR 117 Ca -0.00 0.56 0.12 0.00 -1.18 0.00 0.00 61.69 61.19 2vas s THR 117 Cb -0.01 -3.50 0.26 0.00 1.34 0.00 0.00 72.50 70.59 2vas s THR 117 CO -0.06 -0.73 2.09 0.44 -0.54 0.00 0.00 174.62 175.81 2vas h ASP 118 N -0.66 0.22 -0.48 3.99 3.32 -2.02 -1.35 116.42 119.44 2vas h ASP 118 Ca -0.45 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2vas h ASP 118 Cb 1.24 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2vas h ASP 118 CO 0.62 0.18 0.27 -0.33 -1.72 0.00 0.00 179.24 178.26 2vas h GLU 119 N 0.25 0.67 -0.45 3.56 5.08 -1.99 -2.00 114.58 119.70 2vas h GLU 119 Ca 0.07 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2vas h GLU 119 Cb 0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2vas h GLU 119 CO -0.01 0.52 0.10 0.93 -1.00 0.00 0.00 179.01 179.54 2vas h GLU 120 N 0.64 0.68 -0.10 2.33 5.08 -1.70 0.24 114.58 121.75 2vas h GLU 120 Ca 0.17 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2vas h GLU 120 Cb 0.03 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2vas h GLU 120 CO -0.03 0.63 0.06 0.28 -1.00 0.00 0.00 179.01 178.95 2vas h VAL 121 N 0.66 1.08 -1.00 3.13 2.07 -1.17 -1.75 116.25 119.27 2vas h VAL 121 Ca 0.15 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2vas h VAL 121 Cb 0.26 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 2vas h VAL 121 CO -0.00 0.07 0.66 0.44 0.02 0.00 0.00 177.57 178.76 2vas h ASP 122 N 0.08 1.10 -0.69 0.57 3.45 -0.56 -2.05 116.42 118.31 2vas h ASP 122 Ca 0.04 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 2vas h ASP 122 Cb 0.07 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.55 2vas h ASP 122 CO -0.01 0.75 0.40 -0.08 -1.57 0.00 0.00 179.24 178.74 2vas h GLU 123 N 1.27 0.95 -0.64 3.56 4.81 -0.42 -0.37 114.58 123.75 2vas h GLU 123 Ca 0.40 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 2vas h GLU 123 Cb -0.01 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 2vas h GLU 123 CO -0.12 0.70 0.25 0.52 -0.73 0.00 0.00 179.01 179.62 2vas h MET 124 N 0.95 0.95 0.23 1.92 2.86 -0.78 -2.05 114.93 119.01 2vas h MET 124 Ca 0.25 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2vas h MET 124 Cb 0.00 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.51 2vas h MET 124 CO -0.04 0.78 -0.11 0.82 1.06 0.00 0.00 176.91 179.42 2vas h ILE 125 N 0.93 0.83 -0.85 -1.22 1.08 -0.98 -2.94 117.51 114.35 2vas h ILE 125 Ca 0.22 -0.38 0.09 0.00 -0.39 0.00 0.00 64.86 64.40 2vas h ILE 125 Cb 0.19 1.05 -0.07 0.00 -3.07 0.00 0.00 36.82 34.92 2vas h ILE 125 CO -0.02 0.08 0.50 -0.09 -0.69 0.00 0.00 178.15 177.94 2vas h ARG 126 N -0.51 0.82 0.00 2.37 2.43 -0.94 -1.66 114.38 116.89 2vas h ARG 126 Ca -0.03 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 2vas h ARG 126 Cb 0.38 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2vas h ARG 126 CO 0.05 0.54 -0.49 0.93 -1.51 0.00 0.00 179.97 179.49 2vas h GLU 127 N 0.84 0.00 -0.00 0.20 4.39 -1.42 -2.99 114.58 115.60 2vas h GLU 127 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 2vas h GLU 127 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2vas h GLU 127 CO -0.24 0.49 -0.38 0.00 -1.16 0.00 0.00 179.01 177.72 2vas n ALA 128 N -2.31 3.29 -3.08 3.43 0.00 -0.88 -4.78 120.51 116.18 2vas n ALA 128 Ca -0.00 -0.33 -0.45 0.00 0.00 0.00 0.00 53.44 52.66 2vas n ALA 128 Cb 0.60 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 2vas n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2vas s ASP 129 N -2.87 6.77 -0.00 0.00 3.68 -0.68 -4.79 116.67 118.78 2vas s ASP 129 Ca 0.15 -2.45 -0.25 0.00 2.13 0.00 0.00 52.55 52.13 2vas s ASP 129 Cb 0.18 -2.33 -0.19 0.00 -1.45 0.00 0.00 42.92 39.13 2vas s ASP 129 CO 0.63 -0.83 1.33 0.40 0.13 0.00 0.00 175.17 176.83 2vas h ILE 130 N 5.24 1.34 0.00 4.11 2.04 -1.86 -3.18 117.51 125.20 2vas h ILE 130 Ca 0.16 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 2vas h ILE 130 Cb 1.00 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 2vas h ILE 130 CO 1.01 0.27 -0.25 -2.24 0.00 0.00 0.00 178.15 176.94 2vas h ASP 131 N -0.38 0.00 -0.07 1.72 -0.00 -1.93 -3.47 116.42 112.28 2vas h ASP 131 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2vas h ASP 131 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.78 2vas h ASP 131 CO 0.00 0.25 0.00 0.61 -0.00 0.00 0.00 179.24 180.11 2vas n GLY 132 N -0.27 0.94 1.06 7.15 0.00 -1.20 -4.98 105.19 107.89 2vas n GLY 132 Ca -0.01 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.55 2vas n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vas n ASP 133 N 1.27 3.14 0.00 1.61 3.85 -1.26 -4.95 116.55 120.21 2vas n ASP 133 Ca 0.00 -1.95 0.00 0.00 -0.71 0.00 0.00 54.79 52.13 2vas n ASP 133 Cb 0.33 -0.29 0.00 0.00 -1.35 0.00 0.00 41.12 39.81 2vas n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2vas n GLY 134 N 1.45 0.49 3.27 6.12 0.00 -1.26 -5.00 105.19 110.25 2vas n GLY 134 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 2vas n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vas s GLN 135 N -0.37 1.15 -0.28 1.61 -0.21 -1.26 -4.74 119.66 115.56 2vas s GLN 135 Ca 0.00 -1.54 -0.02 0.00 0.02 0.00 0.00 55.36 53.82 2vas s GLN 135 Cb 0.00 -0.50 0.04 0.00 1.00 0.00 0.00 33.01 33.55 2vas s GLN 135 CO 0.00 -0.04 -0.02 0.08 -2.12 0.00 0.00 175.29 173.19 2vas s VAL 136 N -3.46 2.97 0.70 1.09 1.01 -0.61 -4.76 120.40 117.34 2vas s VAL 136 Ca 0.22 -1.23 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 2vas s VAL 136 Cb 0.05 -2.63 0.15 0.00 0.00 0.00 0.00 36.38 33.95 2vas s VAL 136 CO 0.04 0.02 0.95 -0.46 0.00 0.00 0.00 175.10 175.64 2vas n ASN 137 N 4.65 0.41 -0.28 3.32 0.23 -1.26 0.35 115.26 122.68 2vas n ASN 137 Ca -0.14 -1.55 -0.06 0.00 -0.53 0.00 0.00 54.58 52.30 2vas n ASN 137 Cb 0.45 -0.69 0.06 0.00 -2.08 0.00 0.00 39.78 37.51 2vas n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2vas h TYR 138 N -1.25 1.12 -0.09 -2.53 3.20 -2.00 -2.38 116.97 113.04 2vas h TYR 138 Ca -0.31 -0.07 -0.15 0.00 3.14 0.00 0.00 58.73 61.35 2vas h TYR 138 Cb 0.93 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2vas h TYR 138 CO 0.00 0.84 -0.58 1.05 -1.64 0.00 0.00 178.16 177.82 2vas h GLU 139 N 1.08 0.29 -0.06 1.82 4.11 -1.96 -1.48 114.58 118.38 2vas h GLU 139 Ca 0.26 -0.19 -0.13 0.00 0.07 0.00 0.00 59.36 59.37 2vas h GLU 139 Cb 0.16 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2vas h GLU 139 CO -0.03 0.79 -0.53 0.93 0.07 0.00 0.00 179.01 180.24 2vas h GLU 140 N 0.21 0.16 -0.04 1.06 5.08 -1.86 -1.67 114.58 117.53 2vas h GLU 140 Ca -0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2vas h GLU 140 Cb 1.09 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2vas h GLU 140 CO 0.09 0.66 -0.00 0.35 -1.00 0.00 0.00 179.01 179.11 2vas h PHE 141 N 0.13 0.08 -0.10 4.33 3.57 -1.06 -2.11 116.94 121.78 2vas h PHE 141 Ca 0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2vas h PHE 141 Cb 0.98 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2vas h PHE 141 CO 0.01 0.37 0.05 0.28 -2.23 0.00 0.00 178.31 176.79 2vas h VAL 142 N -0.23 0.99 -0.92 1.41 2.07 -1.28 -1.77 116.25 116.52 2vas h VAL 142 Ca 0.01 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.58 2vas h VAL 142 Cb 0.34 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 2vas h VAL 142 CO 0.00 0.02 0.57 0.74 0.02 0.00 0.00 177.57 178.92 2vas h THR 143 N 0.10 0.99 -0.25 2.57 2.02 -1.30 -1.82 112.91 115.22 2vas h THR 143 Ca 0.04 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 2vas h THR 143 Cb 0.01 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 2vas h THR 143 CO -0.03 0.18 -0.12 -0.03 0.37 0.00 0.00 175.52 175.88 2vas h MET 144 N 0.98 0.52 -0.53 6.66 -1.53 -1.19 -2.69 114.93 117.14 2vas h MET 144 Ca 0.42 -0.23 0.13 0.00 -3.44 0.00 0.00 59.70 56.58 2vas h MET 144 Cb 0.30 -0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.31 2vas h MET 144 CO -0.22 0.78 0.37 1.98 0.14 0.00 0.00 176.91 179.97 2vas h MET 145 N 0.25 0.14 -0.02 0.39 -1.53 -0.90 -2.22 114.93 111.04 2vas h MET 145 Ca 0.05 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.31 2vas h MET 145 Cb 0.63 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.65 2vas h MET 145 CO 0.04 0.09 -0.11 2.41 0.14 0.00 0.00 176.91 179.48 2vas n THR 146 N -4.42 0.00 1.34 -0.77 -1.04 -0.72 -5.10 114.28 103.56 2vas n THR 146 Ca 0.09 -0.31 0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2vas n THR 146 Cb 0.50 0.91 0.63 0.00 -1.82 0.00 0.00 70.33 70.56 2vas n THR 146 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89