#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vay n LEU 4 N 0.00 2.17 -4.13 2.61 4.77 -1.26 -5.05 117.00 116.11 2vay n LEU 4 Ca 0.00 1.02 -0.09 0.00 -0.03 0.00 0.00 56.01 56.91 2vay n LEU 4 Cb 0.00 -1.31 -0.10 0.00 -2.33 0.00 0.00 43.42 39.68 2vay n LEU 4 CO 0.00 -1.71 -0.37 0.42 -1.33 0.00 0.00 177.39 174.40 2vay s THR 5 N -1.29 0.42 0.29 -5.08 -4.23 -1.26 -5.06 115.64 99.43 2vay s THR 5 Ca 0.63 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.31 2vay s THR 5 Cb -0.57 -1.62 0.28 0.00 1.34 0.00 0.00 72.50 71.93 2vay s THR 5 CO 0.57 -0.92 1.78 -0.08 -0.54 0.00 0.00 174.62 175.43 2vay h GLU 6 N 3.06 0.74 -0.02 3.99 4.81 -2.00 -1.81 114.58 123.35 2vay h GLU 6 Ca -0.35 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2vay h GLU 6 Cb 1.15 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 2vay h GLU 6 CO 0.65 0.49 -0.02 1.49 -0.73 0.00 0.00 179.01 180.89 2vay h GLU 7 N 0.76 0.06 -0.77 1.92 4.81 -2.00 -3.00 114.58 116.35 2vay h GLU 7 Ca 0.54 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.89 2vay h GLU 7 Cb 0.77 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 2vay h GLU 7 CO -0.36 0.50 0.52 1.96 -0.73 0.00 0.00 179.01 180.90 2vay h GLN 8 N -0.39 0.42 -0.28 1.92 4.20 -1.85 0.13 115.11 119.27 2vay h GLN 8 Ca 0.00 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 2vay h GLN 8 Cb 0.49 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2vay h GLN 8 CO 0.00 0.28 -0.27 0.82 -0.67 0.00 0.00 178.83 179.00 2vay h ILE 9 N 0.43 1.27 -0.11 2.54 2.04 -1.30 -1.62 117.51 120.77 2vay h ILE 9 Ca 0.38 -1.33 -0.16 0.00 1.00 0.00 0.00 64.86 64.75 2vay h ILE 9 Cb 0.86 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2vay h ILE 9 CO -0.13 0.42 -0.62 0.00 0.00 0.00 0.00 178.15 177.82 2vay h ALA 10 N 1.24 0.72 0.00 1.87 0.00 -0.66 -0.58 119.26 121.84 2vay h ALA 10 Ca 0.07 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2vay h ALA 10 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2vay h ALA 10 CO 0.05 0.72 -0.41 0.93 0.00 0.00 0.00 179.25 180.55 2vay h GLU 11 N 0.29 0.00 0.13 0.00 5.08 -0.91 -0.80 114.58 118.37 2vay h GLU 11 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 2vay h GLU 11 Cb 1.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.42 2vay h GLU 11 CO 0.11 0.41 -1.25 0.74 -1.00 0.00 0.00 179.01 178.02 2vay h PHE 12 N 0.00 0.59 0.00 4.33 0.05 -1.09 -2.78 116.94 118.04 2vay h PHE 12 Ca -0.00 -0.42 -0.06 0.00 3.82 0.00 0.00 57.97 61.31 2vay h PHE 12 Cb 0.76 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.67 2vay h PHE 12 CO 0.00 1.31 -0.27 -0.22 -0.18 0.00 0.00 178.31 178.96 2vay h LYS 13 N 0.11 0.00 0.60 1.51 1.63 -0.88 -0.47 116.57 119.07 2vay h LYS 13 Ca -0.15 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.62 2vay h LYS 13 Cb 1.96 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.59 2vay h LYS 13 CO 0.21 0.27 -0.29 0.93 -3.45 0.00 0.00 179.45 177.12 2vay h GLU 14 N 0.00 -0.77 -0.98 1.90 5.08 -1.01 -1.37 114.58 117.42 2vay h GLU 14 Ca -0.00 0.05 0.21 0.00 -1.00 0.00 0.00 59.36 58.62 2vay h GLU 14 Cb 0.52 0.18 -0.11 0.00 0.50 0.00 0.00 28.75 29.84 2vay h GLU 14 CO 0.03 -0.52 0.56 0.00 -1.00 0.00 0.00 179.01 178.09 2vay h ALA 15 N -1.62 1.64 -0.50 3.43 0.00 -1.20 -0.91 119.26 120.10 2vay h ALA 15 Ca -0.08 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2vay h ALA 15 Cb 0.62 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2vay h ALA 15 CO 0.13 -0.15 -0.02 0.35 0.00 0.00 0.00 179.25 179.56 2vay h PHE 16 N 0.65 0.92 -0.06 0.00 3.04 -0.95 -2.88 116.94 117.66 2vay h PHE 16 Ca 0.59 -0.14 -0.06 0.00 3.98 0.00 0.00 57.97 62.33 2vay h PHE 16 Cb 0.99 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.25 2vay h PHE 16 CO -0.03 0.85 -0.26 0.66 -2.02 0.00 0.00 178.31 177.51 2vay h SER 17 N 0.79 0.11 -0.55 0.41 4.64 -0.00 -0.69 113.55 118.26 2vay h SER 17 Ca 0.15 -0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.49 2vay h SER 17 Cb 0.50 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 2vay h SER 17 CO 0.03 0.37 0.27 0.25 -0.87 0.00 0.00 176.83 176.88 2vay h LEU 18 N 0.10 0.38 0.08 5.97 5.85 -1.30 -3.12 115.31 123.27 2vay h LEU 18 Ca 0.02 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.59 2vay h LEU 18 Cb 0.52 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.53 2vay h LEU 18 CO 0.04 0.25 -0.74 -0.26 -0.34 0.00 0.00 178.44 177.39 2vay h PHE 19 N 0.52 0.59 -0.14 1.25 0.04 -1.52 -3.38 116.94 114.30 2vay h PHE 19 Ca 0.25 -0.38 -0.71 0.00 2.80 0.00 0.00 57.97 59.93 2vay h PHE 19 Cb 0.18 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.24 2vay h PHE 19 CO -0.11 1.25 3.00 -3.47 -0.60 0.00 0.00 178.31 178.38 2vay n ASP 20 N -4.15 4.03 -0.26 2.17 4.64 -0.30 -4.71 116.55 117.97 2vay n ASP 20 Ca -0.12 -2.86 0.05 0.00 -1.38 0.00 0.00 54.79 50.48 2vay n ASP 20 Cb 0.77 -1.67 0.18 0.00 -1.04 0.00 0.00 41.12 39.37 2vay n ASP 20 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 2vay h LYS 21 N 6.18 0.43 -0.44 -0.67 1.79 -1.76 -1.90 116.57 120.21 2vay h LYS 21 Ca 0.55 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 2vay h LYS 21 Cb 0.67 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2vay h LYS 21 CO 1.83 0.28 0.00 -0.40 -1.08 0.00 0.00 179.45 180.08 2vay n ASP 22 N -5.00 2.23 -2.44 0.86 3.85 -1.26 -4.93 116.55 109.85 2vay n ASP 22 Ca 0.14 -2.07 -0.09 0.00 -0.71 0.00 0.00 54.79 52.06 2vay n ASP 22 Cb 0.41 -0.30 -0.00 0.00 -1.35 0.00 0.00 41.12 39.88 2vay n ASP 22 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2vay n GLY 23 N 0.99 -0.49 0.00 6.12 0.00 -0.71 -4.80 105.19 106.31 2vay n GLY 23 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 2vay n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vay n ASP 24 N -1.71 0.00 0.00 1.61 5.75 -1.26 -4.85 116.55 116.08 2vay n ASP 24 Ca -0.11 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 2vay n ASP 24 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 2vay n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vay n GLY 25 N 0.75 0.70 2.98 6.12 0.00 -1.26 -5.04 105.19 109.45 2vay n GLY 25 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 2vay n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vay s THR 26 N -2.58 0.11 -0.25 2.61 -4.23 -1.26 -3.97 115.64 106.06 2vay s THR 26 Ca 0.00 -0.88 -0.08 0.00 -1.18 0.00 0.00 61.69 59.55 2vay s THR 26 Cb 0.00 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.54 2vay s THR 26 CO 0.00 -0.48 0.10 -0.63 -0.54 0.00 0.00 174.62 173.07 2vay s ILE 27 N -1.42 4.60 0.46 2.99 1.01 0.92 -4.70 121.20 125.06 2vay s ILE 27 Ca -0.16 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.47 2vay s ILE 27 Cb -0.10 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.23 2vay s ILE 27 CO -0.01 0.32 0.64 0.42 0.00 0.00 0.00 174.94 176.32 2vay s THR 28 N 1.57 3.11 0.18 2.92 -4.23 -1.26 -1.66 115.64 116.27 2vay s THR 28 Ca 0.06 -0.83 -0.13 0.00 -1.18 0.00 0.00 61.69 59.61 2vay s THR 28 Cb -0.15 -3.10 0.09 0.00 1.34 0.00 0.00 72.50 70.68 2vay s THR 28 CO 0.05 -0.05 1.85 0.74 -0.54 0.00 0.00 174.62 176.67 2vay h THR 29 N 0.44 1.15 -0.31 3.99 2.02 -1.93 -0.89 112.91 117.38 2vay h THR 29 Ca -0.42 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 2vay h THR 29 Cb 1.28 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2vay h THR 29 CO 0.50 0.14 0.15 0.50 0.37 0.00 0.00 175.52 177.18 2vay h LYS 30 N 0.79 0.45 -0.70 6.66 3.64 -1.98 -2.16 116.57 123.27 2vay h LYS 30 Ca 0.21 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2vay h LYS 30 Cb -0.09 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 2vay h LYS 30 CO -0.05 0.41 0.43 0.93 -2.27 0.00 0.00 179.45 178.91 2vay h GLU 31 N 0.37 0.94 -0.82 1.90 5.08 -1.77 -1.86 114.58 118.41 2vay h GLU 31 Ca 0.11 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2vay h GLU 31 Cb 0.11 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 2vay h GLU 31 CO -0.01 0.65 0.46 1.25 -1.00 0.00 0.00 179.01 180.36 2vay h LEU 32 N 0.95 1.01 -0.70 1.33 5.85 -0.95 -2.02 115.31 120.78 2vay h LEU 32 Ca 0.25 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2vay h LEU 32 Cb -0.06 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 2vay h LEU 32 CO -0.05 0.80 0.33 1.23 -0.34 0.00 0.00 178.44 180.41 2vay h GLY 33 N 1.16 1.10 0.98 3.75 0.00 -0.82 0.36 103.07 109.60 2vay h GLY 33 Ca 0.29 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2vay h GLY 33 CO -0.05 0.53 0.26 -0.84 0.00 0.00 0.00 176.54 176.44 2vay h THR 34 N 0.99 1.20 -0.32 4.70 2.02 -0.66 -0.38 112.91 120.46 2vay h THR 34 Ca 0.24 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 2vay h THR 34 Cb 0.14 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2vay h THR 34 CO -0.03 0.23 -0.12 0.58 0.37 0.00 0.00 175.52 176.55 2vay h VAL 35 N 0.73 1.29 -0.82 3.16 2.07 -1.12 -1.66 116.25 119.90 2vay h VAL 35 Ca 0.19 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.51 2vay h VAL 35 Cb 0.11 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2vay h VAL 35 CO -0.02 0.39 0.54 0.24 0.02 0.00 0.00 177.57 178.73 2vay h MET 36 N 0.40 1.07 -0.09 1.57 2.86 -0.73 -1.34 114.93 118.67 2vay h MET 36 Ca 0.07 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 2vay h MET 36 Cb 0.63 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2vay h MET 36 CO 0.04 0.71 -0.34 0.00 1.06 0.00 0.00 176.91 178.38 2vay h ARG 37 N 1.10 0.17 0.00 1.72 3.08 -0.89 -0.83 114.38 118.73 2vay h ARG 37 Ca 0.30 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2vay h ARG 37 Cb -0.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2vay h ARG 37 CO -0.07 0.49 0.00 0.66 -1.07 0.00 0.00 179.97 179.98 2vay h SER 38 N 0.15 0.00 -0.34 7.04 4.64 -0.29 -1.82 113.55 122.93 2vay h SER 38 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2vay h SER 38 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2vay h SER 38 CO 0.05 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 2vay n LEU 39 N -2.35 3.03 0.00 5.97 4.77 -0.41 -4.94 117.00 123.08 2vay n LEU 39 Ca 0.02 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 2vay n LEU 39 Cb 0.24 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2vay n LEU 39 CO 0.21 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2vay n GLY 40 N 1.42 0.66 3.80 -0.72 0.00 -0.68 -4.86 105.19 104.80 2vay n GLY 40 Ca 0.19 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 2vay n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vay s GLN 41 N -0.81 2.84 -0.44 1.61 -0.21 -0.64 -5.00 119.66 117.01 2vay s GLN 41 Ca 0.00 -1.06 0.08 0.00 0.02 0.00 0.00 55.36 54.40 2vay s GLN 41 Cb 0.00 -2.53 0.28 0.00 1.00 0.00 0.00 33.01 31.76 2vay s GLN 41 CO 0.00 0.41 0.64 -1.71 -2.12 0.00 0.00 175.29 172.52 2vay n ASN 42 N -0.98 1.25 -4.77 5.90 5.15 -1.26 -3.53 115.26 117.02 2vay n ASN 42 Ca -0.08 -2.97 -0.38 0.00 -0.60 0.00 0.00 54.58 50.56 2vay n ASN 42 Cb 0.57 -0.63 -0.01 0.00 -0.53 0.00 0.00 39.78 39.18 2vay n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2vay s PRO 43 N -1.89 3.82 0.82 1.20 0.04 -1.26 -5.03 135.00 132.71 2vay s PRO 43 Ca 0.38 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 63.13 2vay s PRO 43 Cb 0.22 -2.49 0.09 0.00 0.04 0.00 0.00 34.50 32.36 2vay s PRO 43 CO -0.09 -0.52 1.16 0.95 0.04 0.00 0.00 177.00 178.55 2vay s THR 44 N -1.49 2.11 0.43 1.26 -4.23 -1.26 -4.83 115.64 107.64 2vay s THR 44 Ca 0.62 0.04 0.12 0.00 -1.18 0.00 0.00 61.69 61.28 2vay s THR 44 Cb -0.30 -2.98 0.21 0.00 1.34 0.00 0.00 72.50 70.77 2vay s THR 44 CO 0.37 -0.05 2.01 -0.33 -0.54 0.00 0.00 174.62 176.08 2vay h GLU 45 N -1.13 0.18 -0.33 3.99 4.39 -1.99 -1.12 114.58 118.58 2vay h GLU 45 Ca -0.47 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.17 2vay h GLU 45 Cb 1.32 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2vay h GLU 45 CO 0.65 0.25 0.07 0.00 -1.16 0.00 0.00 179.01 178.82 2vay h ALA 46 N 1.77 0.44 -0.34 3.43 0.00 -1.99 0.37 119.26 122.94 2vay h ALA 46 Ca 0.04 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2vay h ALA 46 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2vay h ALA 46 CO 0.01 0.12 -0.16 0.93 0.00 0.00 0.00 179.25 180.15 2vay h GLU 47 N 0.38 0.61 -0.36 0.00 5.08 -1.76 -1.98 114.58 116.55 2vay h GLU 47 Ca 0.10 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 2vay h GLU 47 Cb 0.32 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2vay h GLU 47 CO 0.00 0.75 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.66 2vay h LEU 48 N 0.55 0.65 -0.89 1.33 3.38 -0.88 -2.42 115.31 117.04 2vay h LEU 48 Ca 0.09 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2vay h LEU 48 Cb 0.59 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2vay h LEU 48 CO 0.04 0.82 0.58 1.56 0.09 0.00 0.00 178.44 181.53 2vay h GLN 49 N 0.47 1.09 -0.22 1.13 4.20 -0.72 -2.07 115.11 118.99 2vay h GLN 49 Ca 0.10 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 2vay h GLN 49 Cb 0.50 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2vay h GLN 49 CO 0.02 0.72 -0.21 -0.44 -0.67 0.00 0.00 178.83 178.26 2vay h ASP 50 N 1.13 0.39 -0.02 1.46 3.45 -1.18 -0.29 116.42 121.34 2vay h ASP 50 Ca 0.35 -0.11 -0.18 0.00 0.43 0.00 0.00 57.03 57.52 2vay h ASP 50 Cb -0.01 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 38.65 2vay h ASP 50 CO -0.11 0.61 -0.60 0.24 -1.57 0.00 0.00 179.24 177.80 2vay h MET 51 N 0.36 0.63 -0.19 3.56 2.86 -1.08 -2.47 114.93 118.59 2vay h MET 51 Ca 0.06 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.24 2vay h MET 51 Cb 0.57 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2vay h MET 51 CO 0.04 1.04 -0.02 0.82 1.06 0.00 0.00 176.91 179.85 2vay h ILE 52 N 0.47 1.27 -0.47 -1.22 1.08 -1.10 -3.18 117.51 114.36 2vay h ILE 52 Ca -0.00 -0.95 0.03 0.00 -0.39 0.00 0.00 64.86 63.54 2vay h ILE 52 Cb 1.17 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 36.41 2vay h ILE 52 CO 0.12 0.29 0.31 0.78 -0.69 0.00 0.00 178.15 178.96 2vay h ASN 53 N 0.10 0.46 -0.41 1.72 -0.26 -1.01 0.18 115.58 116.35 2vay h ASN 53 Ca 0.05 -0.01 0.06 0.00 -0.56 0.00 0.00 56.30 55.85 2vay h ASN 53 Cb 0.44 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 2vay h ASN 53 CO 0.01 0.32 0.28 -0.33 -1.06 0.00 0.00 177.43 176.65 2vay h GLU 54 N 0.54 0.27 0.00 0.81 5.08 -1.42 -3.04 114.58 116.82 2vay h GLU 54 Ca 0.19 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2vay h GLU 54 Cb 0.08 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2vay h GLU 54 CO -0.05 0.18 -1.67 0.28 -1.00 0.00 0.00 179.01 176.76 2vay n VAL 55 N -4.47 0.10 -2.06 3.13 0.31 -0.71 -4.83 118.33 109.81 2vay n VAL 55 Ca 0.05 -0.35 -0.34 0.00 -0.01 0.00 0.00 64.34 63.70 2vay n VAL 55 Cb 0.27 0.08 -0.05 0.00 -0.91 0.00 0.00 33.84 33.24 2vay n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2vay n ASP 56 N -2.04 3.44 -0.09 4.52 2.03 0.53 -4.74 116.55 120.21 2vay n ASP 56 Ca -0.05 -2.75 0.10 0.00 0.52 0.00 0.00 54.79 52.62 2vay n ASP 56 Cb 0.43 -1.67 0.47 0.00 -0.72 0.00 0.00 41.12 39.63 2vay n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2vay h ALA 57 N 8.90 1.94 -0.69 -1.67 0.00 -1.88 -2.10 119.26 123.75 2vay h ALA 57 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2vay h ALA 57 Cb 0.88 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2vay h ALA 57 CO 1.39 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 180.18 2vay n ASP 58 N -4.47 3.91 -2.49 0.00 5.68 -1.26 -4.97 116.55 112.94 2vay n ASP 58 Ca 0.09 -2.00 -0.17 0.00 -0.50 0.00 0.00 54.79 52.21 2vay n ASP 58 Cb 0.32 -0.46 -0.01 0.00 -1.14 0.00 0.00 41.12 39.83 2vay n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vay n GLY 59 N 1.64 -0.50 0.61 6.12 0.00 -0.79 -4.86 105.19 107.42 2vay n GLY 59 Ca 0.24 0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.31 2vay n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vay n ASN 60 N -1.96 1.74 0.00 1.61 0.23 -1.26 -4.89 115.26 110.72 2vay n ASN 60 Ca -0.19 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.79 2vay n ASN 60 Cb 0.65 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 2vay n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2vay n GLY 61 N 0.79 1.79 3.38 4.83 0.00 -1.26 -5.02 105.19 109.69 2vay n GLY 61 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2vay n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vay s THR 62 N -2.64 0.76 -0.16 2.61 -4.23 -1.26 -4.66 115.64 106.06 2vay s THR 62 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 2vay s THR 62 Cb 0.00 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 2vay s THR 62 CO 0.00 0.00 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.36 2vay s ILE 63 N -3.56 3.25 0.56 2.99 1.01 -0.66 -4.66 121.20 120.14 2vay s ILE 63 Ca 0.36 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.53 2vay s ILE 63 Cb 0.08 -2.41 0.07 0.00 0.01 0.00 0.00 42.46 40.21 2vay s ILE 63 CO 0.15 0.49 0.68 1.51 0.00 0.00 0.00 174.94 177.77 2vay s ASP 64 N 0.65 4.98 0.15 3.58 1.47 -1.26 -0.05 116.67 126.18 2vay s ASP 64 Ca -0.05 -0.95 -0.15 0.00 1.18 0.00 0.00 52.55 52.58 2vay s ASP 64 Cb -0.15 0.32 0.02 0.00 -0.34 0.00 0.00 42.92 42.77 2vay s ASP 64 CO 0.02 -1.27 1.70 0.15 0.68 0.00 0.00 175.17 176.46 2vay h PHE 65 N 0.34 0.69 -1.00 2.11 3.04 -2.00 -0.80 116.94 119.33 2vay h PHE 65 Ca -0.32 -0.05 0.06 0.00 3.98 0.00 0.00 57.97 61.65 2vay h PHE 65 Cb 1.29 -0.21 -0.06 0.00 2.56 0.00 0.00 35.95 39.53 2vay h PHE 65 CO 0.58 0.58 0.65 -1.35 -2.02 0.00 0.00 178.31 176.75 2vay h PRO 66 N 0.60 1.15 -0.51 6.41 0.11 -1.96 0.23 132.00 138.03 2vay h PRO 66 Ca 0.15 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.12 2vay h PRO 66 Cb 0.17 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 2vay h PRO 66 CO -0.01 0.76 0.01 0.93 -0.21 0.00 0.00 178.00 179.47 2vay h GLU 67 N 1.18 0.89 -0.28 1.05 5.08 -1.81 -1.43 114.58 119.27 2vay h GLU 67 Ca 0.42 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2vay h GLU 67 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2vay h GLU 67 CO -0.16 0.92 0.14 0.35 -1.00 0.00 0.00 179.01 179.26 2vay h PHE 68 N 0.76 0.39 -0.44 4.33 3.57 -0.32 -2.67 116.94 122.57 2vay h PHE 68 Ca 0.14 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 2vay h PHE 68 Cb 0.51 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2vay h PHE 68 CO 0.04 0.35 0.29 1.25 -2.23 0.00 0.00 178.31 178.00 2vay h LEU 69 N 0.33 0.49 -0.05 0.59 6.46 -0.50 -0.74 115.31 121.89 2vay h LEU 69 Ca 0.10 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.88 2vay h LEU 69 Cb 0.09 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.85 2vay h LEU 69 CO -0.01 0.36 -0.24 0.74 -0.62 0.00 0.00 178.44 178.66 2vay h THR 70 N 0.59 0.44 -0.28 1.05 2.02 -1.06 0.10 112.91 115.77 2vay h THR 70 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2vay h THR 70 Cb -0.06 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2vay h THR 70 CO -0.04 0.00 0.10 -0.03 0.37 0.00 0.00 175.52 175.93 2vay h MET 71 N -0.35 0.41 -0.30 6.66 1.85 -1.34 -2.32 114.93 119.55 2vay h MET 71 Ca 0.08 -0.08 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 2vay h MET 71 Cb 0.46 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.41 2vay h MET 71 CO -0.25 0.45 0.16 0.52 -0.40 0.00 0.00 176.91 177.39 2vay h MET 72 N 0.29 0.42 -0.40 0.39 2.07 -0.82 -0.93 114.93 115.95 2vay h MET 72 Ca 0.09 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.64 2vay h MET 72 Cb 0.19 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.82 2vay h MET 72 CO -0.01 0.37 0.13 0.00 1.07 0.00 0.00 176.91 178.48 2vay h ALA 73 N 1.02 1.47 -0.18 6.32 0.00 -0.79 -1.21 119.26 125.89 2vay h ALA 73 Ca 0.10 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2vay h ALA 73 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2vay h ALA 73 CO -0.02 0.40 -0.36 -0.09 0.00 0.00 0.00 179.25 179.19 2vay h ARG 74 N 0.58 0.57 -0.05 0.00 2.43 -0.94 -1.93 114.38 115.03 2vay h ARG 74 Ca 0.14 -0.36 -0.08 0.00 -0.81 0.00 0.00 59.98 58.87 2vay h ARG 74 Cb 0.17 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2vay h ARG 74 CO -0.01 0.97 -0.32 0.87 -1.51 0.00 0.00 179.97 179.97 2vay h LYS 75 N 0.22 0.10 -0.31 0.20 1.57 -1.03 -2.66 116.57 114.67 2vay h LYS 75 Ca 0.01 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 2vay h LYS 75 Cb 0.95 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 2vay h LYS 75 CO 0.08 0.42 -0.34 1.98 -0.57 0.00 0.00 179.45 181.02 2vay h MET 76 N 0.09 0.70 0.00 3.15 4.05 -1.08 -1.53 114.93 120.31 2vay h MET 76 Ca 0.01 -0.33 -0.00 0.00 -0.28 0.00 0.00 59.70 59.10 2vay h MET 76 Cb 0.62 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2vay h MET 76 CO 0.05 0.93 -0.00 0.87 0.23 0.00 0.00 176.91 178.99 2vay h LYS 77 N 0.58 0.00 -5.00 0.39 6.56 -0.99 -3.37 116.57 114.74 2vay h LYS 77 Ca 0.06 0.00 -0.64 0.00 -1.06 0.00 0.00 60.65 59.01 2vay h LYS 77 Cb 0.85 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.35 2vay h LYS 77 CO 0.07 0.00 -0.35 0.34 -2.06 0.00 0.00 179.45 177.46 2vay s ASP 78 N -5.26 6.15 -0.24 0.86 2.15 -0.57 -4.93 116.67 114.82 2vay s ASP 78 Ca -0.05 0.03 0.10 0.00 0.43 0.00 0.00 52.55 53.06 2vay s ASP 78 Cb 0.13 -2.18 0.44 0.00 -0.30 0.00 0.00 42.92 41.01 2vay s ASP 78 CO 0.43 -0.19 1.23 0.41 -0.17 0.00 0.00 175.17 176.88 2vay n THR 79 N 5.13 2.33 -1.14 1.71 -1.04 -1.26 -4.34 114.28 115.67 2vay n THR 79 Ca -0.11 -3.49 0.09 0.00 -2.04 0.00 0.00 64.05 58.51 2vay n THR 79 Cb 0.51 -0.50 0.14 0.00 -1.82 0.00 0.00 70.33 68.66 2vay n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2vay n ASP 80 N -1.00 2.22 -3.32 8.00 9.92 -1.26 -4.89 116.55 126.22 2vay n ASP 80 Ca 0.27 -3.12 -0.35 0.00 -0.53 0.00 0.00 54.79 51.06 2vay n ASP 80 Cb 0.79 -0.43 -0.03 0.00 -0.64 0.00 0.00 41.12 40.81 2vay n ASP 80 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2vay n SER 81 N -1.36 7.23 -0.34 -2.24 3.41 -1.26 -4.61 113.62 114.44 2vay n SER 81 Ca 0.16 -2.53 -0.04 0.00 -0.26 0.00 0.00 58.87 56.20 2vay n SER 81 Cb 0.65 -1.44 0.09 0.00 -0.26 0.00 0.00 64.21 63.25 2vay n SER 81 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2vay h GLU 82 N 5.50 1.28 -0.16 4.33 4.81 -1.97 -2.01 114.58 126.35 2vay h GLU 82 Ca 0.74 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.77 2vay h GLU 82 Cb 0.29 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2vay h GLU 82 CO 1.71 0.92 -0.20 1.49 -0.73 0.00 0.00 179.01 182.21 2vay h GLU 83 N 1.29 0.28 -0.57 1.92 4.57 -2.00 -1.97 114.58 118.10 2vay h GLU 83 Ca 0.33 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.34 2vay h GLU 83 Cb -0.00 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 2vay h GLU 83 CO -0.06 0.47 0.02 0.93 -1.18 0.00 0.00 179.01 179.20 2vay h GLU 84 N 0.26 0.96 -0.39 1.92 4.39 -1.75 -1.07 114.58 118.90 2vay h GLU 84 Ca 0.05 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.38 2vay h GLU 84 Cb 0.50 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2vay h GLU 84 CO 0.03 0.93 -0.11 0.82 -1.16 0.00 0.00 179.01 179.53 2vay h ILE 85 N 0.89 1.25 -0.30 3.13 2.04 -1.06 -1.00 117.51 122.47 2vay h ILE 85 Ca 0.17 -1.12 -0.11 0.00 1.00 0.00 0.00 64.86 64.80 2vay h ILE 85 Cb 0.49 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2vay h ILE 85 CO 0.02 0.38 -0.28 0.03 0.00 0.00 0.00 178.15 178.30 2vay h ARG 86 N 0.63 0.60 -0.42 2.37 3.08 -1.03 -0.57 114.38 119.03 2vay h ARG 86 Ca 0.11 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2vay h ARG 86 Cb 0.55 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2vay h ARG 86 CO 0.03 0.82 0.23 0.93 -1.07 0.00 0.00 179.97 180.91 2vay h GLU 87 N 0.52 0.59 -0.87 0.04 4.39 -0.64 0.10 114.58 118.71 2vay h GLU 87 Ca 0.07 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2vay h GLU 87 Cb 0.75 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 2vay h GLU 87 CO 0.06 0.47 0.45 0.00 -1.16 0.00 0.00 179.01 178.83 2vay h ALA 88 N 1.08 1.12 -0.34 3.43 0.00 -0.91 -2.09 119.26 121.55 2vay h ALA 88 Ca 0.15 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2vay h ALA 88 Cb 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2vay h ALA 88 CO -0.02 0.65 0.18 0.35 0.00 0.00 0.00 179.25 180.41 2vay h PHE 89 N 1.23 0.34 -0.62 0.00 3.57 -0.37 -2.50 116.94 118.59 2vay h PHE 89 Ca 0.30 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.84 2vay h PHE 89 Cb 0.07 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2vay h PHE 89 CO 0.01 0.19 0.41 0.00 -2.23 0.00 0.00 178.31 176.70 2vay h ARG 90 N 0.38 0.74 -0.90 1.11 3.08 -0.38 -0.01 114.38 118.40 2vay h ARG 90 Ca 0.14 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2vay h ARG 90 Cb 0.03 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 2vay h ARG 90 CO -0.08 0.49 0.52 0.28 -1.07 0.00 0.00 179.97 180.11 2vay h VAL 91 N 0.76 1.25 0.01 2.04 2.07 -0.96 -3.18 116.25 118.24 2vay h VAL 91 Ca 0.25 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2vay h VAL 91 Cb 0.04 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 2vay h VAL 91 CO -0.06 0.27 -0.00 -0.26 0.02 0.00 0.00 177.57 177.53 2vay h PHE 92 N 1.24 -0.01 0.00 1.57 0.04 -0.99 -3.39 116.94 115.41 2vay h PHE 92 Ca 0.32 -0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.48 2vay h PHE 92 Cb -0.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.14 2vay h PHE 92 CO 0.00 0.70 2.85 -3.47 -0.60 0.00 0.00 178.31 177.80 2vay n ASP 93 N -4.75 4.38 -0.09 2.17 4.64 -0.12 -4.69 116.55 118.09 2vay n ASP 93 Ca -0.09 -2.63 0.19 0.00 -1.38 0.00 0.00 54.79 50.87 2vay n ASP 93 Cb 0.35 -1.34 0.61 0.00 -1.04 0.00 0.00 41.12 39.70 2vay n ASP 93 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 2vay h LYS 94 N 6.56 0.18 -0.37 -0.67 1.57 -1.76 -0.36 116.57 121.72 2vay h LYS 94 Ca 0.55 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 2vay h LYS 94 Cb 0.49 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2vay h LYS 94 CO 1.81 0.12 0.00 -0.40 -0.57 0.00 0.00 179.45 180.41 2vay n ASP 95 N -4.41 2.58 -1.86 0.86 5.68 -1.26 -4.96 116.55 113.19 2vay n ASP 95 Ca 0.13 -1.91 -0.16 0.00 -0.50 0.00 0.00 54.79 52.35 2vay n ASP 95 Cb 0.61 -0.24 -0.04 0.00 -1.14 0.00 0.00 41.12 40.30 2vay n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vay n GLY 96 N 1.31 0.71 0.15 6.12 0.00 -0.15 -4.87 105.19 108.46 2vay n GLY 96 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.34 2vay n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vay n ASN 97 N -1.27 0.51 0.00 1.61 6.94 -1.26 -4.90 115.26 116.89 2vay n ASN 97 Ca -0.17 -0.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 2vay n ASN 97 Cb 0.58 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 2vay n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2vay n GLY 98 N 1.13 0.76 2.83 4.83 0.00 -1.26 -5.05 105.19 108.42 2vay n GLY 98 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 2vay n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vay s TYR 99 N -2.03 0.29 -0.32 1.61 2.02 -1.26 -3.84 117.35 113.82 2vay s TYR 99 Ca 0.00 -0.00 -0.19 0.00 -0.37 0.00 0.00 57.07 56.51 2vay s TYR 99 Cb 0.00 -0.36 -0.01 0.00 -0.40 0.00 0.00 41.96 41.19 2vay s TYR 99 CO 0.00 -0.11 0.55 0.42 -1.57 0.00 0.00 175.55 174.84 2vay s ILE 100 N 0.86 5.00 0.57 2.71 1.01 0.25 -4.82 121.20 126.78 2vay s ILE 100 Ca -0.09 0.61 -0.05 0.00 0.00 0.00 0.00 60.65 61.13 2vay s ILE 100 Cb -0.12 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.41 2vay s ILE 100 CO -0.02 -0.13 0.87 -0.94 0.00 0.00 0.00 174.94 174.73 2vay s SER 101 N 1.69 5.65 0.30 3.58 1.04 -1.26 -1.15 113.70 123.55 2vay s SER 101 Ca 0.21 0.69 -0.01 0.00 0.48 0.00 0.00 55.95 57.32 2vay s SER 101 Cb -0.15 -1.72 0.47 0.00 0.10 0.00 0.00 66.02 64.71 2vay s SER 101 CO 0.12 -1.00 1.95 0.00 0.98 0.00 0.00 173.24 175.28 2vay h ALA 102 N -0.10 1.44 -0.63 5.32 0.00 -1.96 -1.10 119.26 122.23 2vay h ALA 102 Ca -0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2vay h ALA 102 Cb 1.25 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2vay h ALA 102 CO 0.60 0.48 0.16 0.00 0.00 0.00 0.00 179.25 180.50 2vay h ALA 103 N 1.49 0.83 -0.56 0.00 0.00 -1.97 -1.29 119.26 117.76 2vay h ALA 103 Ca 0.34 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2vay h ALA 103 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2vay h ALA 103 CO -0.09 0.54 0.15 0.93 0.00 0.00 0.00 179.25 180.77 2vay h GLU 104 N 0.92 0.89 -0.36 0.00 5.08 -1.72 -1.73 114.58 117.66 2vay h GLU 104 Ca 0.20 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2vay h GLU 104 Cb 0.35 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2vay h GLU 104 CO 0.00 0.82 0.05 1.25 -1.00 0.00 0.00 179.01 180.13 2vay h LEU 105 N 0.79 0.59 -0.52 1.33 6.46 -1.07 -2.70 115.31 120.19 2vay h LEU 105 Ca 0.18 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 2vay h LEU 105 Cb 0.32 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 2vay h LEU 105 CO -0.00 0.71 0.26 -0.09 -0.62 0.00 0.00 178.44 178.71 2vay h ARG 106 N 0.44 0.73 -0.77 1.25 2.43 -1.16 -2.19 114.38 115.12 2vay h ARG 106 Ca 0.11 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2vay h ARG 106 Cb 0.38 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2vay h ARG 106 CO 0.01 0.59 0.51 1.25 -1.51 0.00 0.00 179.97 180.81 2vay h HIS 107 N 0.69 0.97 -0.38 2.20 2.76 -1.20 -0.20 115.15 119.98 2vay h HIS 107 Ca 0.18 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.25 2vay h HIS 107 Cb 0.08 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.71 2vay h HIS 107 CO -0.01 0.61 -0.25 0.28 -1.30 0.00 0.00 177.93 177.27 2vay h VAL 108 N 1.04 1.28 -0.69 5.26 2.07 -1.38 -2.49 116.25 121.34 2vay h VAL 108 Ca 0.28 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 2vay h VAL 108 Cb -0.12 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2vay h VAL 108 CO -0.06 0.47 0.26 0.24 0.02 0.00 0.00 177.57 178.49 2vay h MET 109 N 0.64 1.05 -0.05 1.57 2.07 -1.01 0.48 114.93 119.68 2vay h MET 109 Ca 0.08 -0.20 -0.05 0.00 -2.07 0.00 0.00 59.70 57.46 2vay h MET 109 Cb 0.82 -0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 30.37 2vay h MET 109 CO 0.07 0.88 -0.18 1.15 1.07 0.00 0.00 176.91 179.90 2vay h THR 110 N 0.99 1.16 0.05 2.22 2.02 -0.96 0.14 112.91 118.54 2vay h THR 110 Ca 0.23 -0.73 -0.30 0.00 0.77 0.00 0.00 66.41 66.38 2vay h THR 110 Cb 0.24 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 2vay h THR 110 CO -0.02 0.22 -1.64 0.78 0.37 0.00 0.00 175.52 175.23 2vay h ASN 111 N 0.07 0.18 0.00 4.18 4.21 -0.92 -3.34 115.58 119.97 2vay h ASN 111 Ca 0.01 -0.31 0.00 0.00 1.21 0.00 0.00 56.30 57.21 2vay h ASN 111 Cb 0.37 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2vay h ASN 111 CO 0.03 1.27 0.00 0.18 -1.29 0.00 0.00 177.43 177.62 2vay n LEU 112 N -3.26 1.41 -0.28 1.61 4.77 0.16 -4.72 117.00 116.69 2vay n LEU 112 Ca -0.18 -0.70 -0.04 0.00 -0.03 0.00 0.00 56.01 55.06 2vay n LEU 112 Cb 1.04 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 2vay n LEU 112 CO 0.46 0.28 -0.03 0.61 -1.33 0.00 0.00 177.39 177.38 2vay n GLY 113 N 0.25 0.61 3.77 -0.72 0.00 -1.23 -5.02 105.19 102.85 2vay n GLY 113 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 2vay n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vay n GLU 114 N -2.75 0.42 -3.50 1.61 4.71 0.47 -5.04 120.64 116.55 2vay n GLU 114 Ca -0.04 -2.91 -0.18 0.00 -0.01 0.00 0.00 57.16 54.02 2vay n GLU 114 Cb 0.16 -0.35 -0.13 0.00 -1.01 0.00 0.00 31.44 30.11 2vay n GLU 114 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 2vay s LYS 115 N -4.68 0.19 -0.03 3.49 0.00 -1.26 -4.50 119.74 112.94 2vay s LYS 115 Ca 0.60 0.25 0.01 0.00 0.00 0.00 0.00 55.97 56.84 2vay s LYS 115 Cb -0.04 -1.09 0.02 0.00 0.00 0.00 0.00 37.83 36.71 2vay s LYS 115 CO 0.39 -0.62 -0.03 -0.51 0.00 0.00 0.00 175.35 174.57 2vay s LEU 116 N 2.34 1.41 0.31 2.77 1.43 -1.26 -5.09 118.68 120.59 2vay s LEU 116 Ca 0.07 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 2vay s LEU 116 Cb -0.15 -0.34 -0.08 0.00 0.03 0.00 0.00 46.19 45.65 2vay s LEU 116 CO -0.12 -0.05 0.68 0.28 0.23 0.00 0.00 176.35 177.38 2vay s THR 117 N 0.74 4.79 0.57 5.49 -1.32 -1.26 -4.86 115.64 119.79 2vay s THR 117 Ca -0.09 0.70 0.28 0.00 -1.21 0.00 0.00 61.69 61.36 2vay s THR 117 Cb -0.12 -3.64 0.28 0.00 -1.51 0.00 0.00 72.50 67.50 2vay s THR 117 CO -0.00 -0.24 1.83 0.44 -2.21 0.00 0.00 174.62 174.44 2vay h ASP 118 N 2.08 0.00 -0.02 8.08 5.19 -2.00 0.40 116.42 130.15 2vay h ASP 118 Ca -0.47 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.79 2vay h ASP 118 Cb 1.18 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.70 2vay h ASP 118 CO 0.66 0.00 -0.54 -0.33 -3.12 0.00 0.00 179.24 175.91 2vay h GLU 119 N 0.00 0.41 -0.12 3.56 3.07 -1.99 -2.38 114.58 117.13 2vay h GLU 119 Ca 0.00 -0.41 -0.14 0.00 -0.50 0.00 0.00 59.36 58.30 2vay h GLU 119 Cb 0.65 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 2vay h GLU 119 CO 0.00 1.07 -0.55 0.93 -1.40 0.00 0.00 179.01 179.06 2vay h GLU 120 N -0.09 0.35 -0.48 2.33 5.08 -0.69 -2.21 114.58 118.87 2vay h GLU 120 Ca -0.06 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2vay h GLU 120 Cb 1.24 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2vay h GLU 120 CO 0.11 0.81 0.25 0.28 -1.00 0.00 0.00 179.01 179.46 2vay h VAL 121 N 0.27 1.18 -0.38 3.13 2.07 -0.84 0.05 116.25 121.72 2vay h VAL 121 Ca 0.00 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 2vay h VAL 121 Cb 1.05 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2vay h VAL 121 CO 0.09 0.19 -0.21 0.44 0.02 0.00 0.00 177.57 178.11 2vay h ASP 122 N 0.63 0.75 0.07 0.57 5.19 -1.30 -2.54 116.42 119.80 2vay h ASP 122 Ca 0.17 -0.26 -0.15 0.00 -0.62 0.00 0.00 57.03 56.17 2vay h ASP 122 Cb 0.09 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 2vay h ASP 122 CO -0.02 0.95 -0.50 -0.08 -3.12 0.00 0.00 179.24 176.46 2vay h GLU 123 N 0.65 0.49 -0.32 3.56 4.57 -1.16 0.72 114.58 123.10 2vay h GLU 123 Ca 0.09 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2vay h GLU 123 Cb 0.70 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 2vay h GLU 123 CO 0.05 0.88 0.19 0.52 -1.18 0.00 0.00 179.01 179.47 2vay h MET 124 N 0.38 0.43 0.04 1.92 2.86 -0.78 -1.31 114.93 118.48 2vay h MET 124 Ca 0.02 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2vay h MET 124 Cb 1.02 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.59 2vay h MET 124 CO 0.09 0.34 -0.02 0.82 1.06 0.00 0.00 176.91 179.21 2vay h ILE 125 N 0.40 1.25 -0.94 -1.22 2.04 -1.34 -3.19 117.51 114.52 2vay h ILE 125 Ca 0.11 -0.98 0.21 0.00 1.00 0.00 0.00 64.86 65.20 2vay h ILE 125 Cb 0.03 1.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 2vay h ILE 125 CO -0.02 0.25 0.61 -0.09 0.00 0.00 0.00 178.15 178.90 2vay h ARG 126 N -0.49 0.47 -0.08 2.37 2.43 -0.77 0.52 114.38 118.83 2vay h ARG 126 Ca -0.01 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 2vay h ARG 126 Cb 0.45 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2vay h ARG 126 CO 0.01 0.31 -0.52 0.93 -1.51 0.00 0.00 179.97 179.19 2vay h GLU 127 N 0.48 0.21 0.00 0.20 5.08 -1.23 -3.25 114.58 116.07 2vay h GLU 127 Ca 0.50 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2vay h GLU 127 Cb 1.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2vay h GLU 127 CO -0.22 0.68 -1.43 0.00 -1.00 0.00 0.00 179.01 177.03 2vay n ALA 128 N -2.47 3.02 -1.49 3.43 0.00 -0.03 -4.78 120.51 118.20 2vay n ALA 128 Ca -0.02 -0.42 -0.40 0.00 0.00 0.00 0.00 53.44 52.60 2vay n ALA 128 Cb 0.55 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 2vay n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2vay n ASP 129 N -2.24 2.92 -0.31 0.00 2.03 0.16 -4.78 116.55 114.33 2vay n ASP 129 Ca -0.01 -2.71 0.10 0.00 0.52 0.00 0.00 54.79 52.68 2vay n ASP 129 Cb 0.51 -1.34 0.32 0.00 -0.72 0.00 0.00 41.12 39.89 2vay n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2vay h ILE 130 N 4.84 0.88 -0.13 5.18 2.04 -1.86 -1.30 117.51 127.16 2vay h ILE 130 Ca 0.40 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2vay h ILE 130 Cb 0.73 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2vay h ILE 130 CO 1.77 0.15 0.00 -0.90 0.00 0.00 0.00 178.15 179.17 2vay n ASP 131 N -4.58 2.30 -0.85 1.72 3.85 -1.26 -4.96 116.55 112.76 2vay n ASP 131 Ca 0.18 -1.78 -0.11 0.00 -0.71 0.00 0.00 54.79 52.37 2vay n ASP 131 Cb 0.41 -0.08 -0.05 0.00 -1.35 0.00 0.00 41.12 40.05 2vay n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2vay n GLY 132 N 1.27 1.15 0.00 6.12 0.00 -0.49 -4.88 105.19 108.36 2vay n GLY 132 Ca 0.17 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2vay n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vay n ASP 133 N -0.72 0.00 0.00 1.61 3.85 -1.26 -4.87 116.55 115.16 2vay n ASP 133 Ca -0.11 -1.28 0.00 0.00 -0.71 0.00 0.00 54.79 52.68 2vay n ASP 133 Cb 0.50 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 2vay n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2vay n GLY 134 N 0.74 1.43 3.61 6.12 0.00 -1.26 -5.02 105.19 110.81 2vay n GLY 134 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2vay n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vay s GLN 135 N -0.21 2.02 -0.31 1.61 -1.52 -1.26 -4.44 119.66 115.56 2vay s GLN 135 Ca 0.00 -1.79 -0.01 0.00 -1.95 0.00 0.00 55.36 51.61 2vay s GLN 135 Cb 0.00 -1.88 0.06 0.00 -0.22 0.00 0.00 33.01 30.97 2vay s GLN 135 CO 0.00 0.14 0.00 0.08 -0.25 0.00 0.00 175.29 175.26 2vay s VAL 136 N -2.54 2.83 0.89 1.09 1.01 -0.30 -4.67 120.40 118.71 2vay s VAL 136 Ca 0.34 -1.55 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 2vay s VAL 136 Cb 0.00 -2.69 0.15 0.00 0.00 0.00 0.00 36.38 33.85 2vay s VAL 136 CO 0.19 -0.18 1.24 0.54 0.00 0.00 0.00 175.10 176.89 2vay s ASN 137 N 1.26 3.69 0.17 3.32 2.20 -1.26 -0.58 114.94 123.74 2vay s ASN 137 Ca -0.04 0.37 -0.14 0.00 -0.94 0.00 0.00 52.86 52.12 2vay s ASN 137 Cb -0.20 -0.60 0.06 0.00 -2.00 0.00 0.00 41.25 38.51 2vay s ASN 137 CO -0.02 -2.37 1.81 0.22 -2.94 0.00 0.00 177.10 173.80 2vay h TYR 138 N -1.33 0.70 -0.87 1.54 3.20 -2.00 0.87 116.97 119.09 2vay h TYR 138 Ca -0.44 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.46 2vay h TYR 138 Cb 1.27 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.26 2vay h TYR 138 CO -0.59 0.48 0.56 1.49 -1.64 0.00 0.00 178.16 178.46 2vay h GLU 139 N 0.72 1.08 -0.26 1.82 4.81 -1.94 -0.68 114.58 120.13 2vay h GLU 139 Ca 0.19 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 2vay h GLU 139 Cb -0.03 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2vay h GLU 139 CO -0.04 0.71 -0.43 0.93 -0.73 0.00 0.00 179.01 179.46 2vay h GLU 140 N 1.11 0.65 -0.41 1.92 5.08 -1.78 -2.84 114.58 118.32 2vay h GLU 140 Ca 0.34 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2vay h GLU 140 Cb -0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2vay h GLU 140 CO -0.10 0.95 0.13 0.35 -1.00 0.00 0.00 179.01 179.34 2vay h PHE 141 N 0.53 0.65 -0.04 4.33 3.04 -0.03 -0.74 116.94 124.68 2vay h PHE 141 Ca 0.04 -0.07 0.02 0.00 3.98 0.00 0.00 57.97 61.94 2vay h PHE 141 Cb 0.96 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 2vay h PHE 141 CO 0.04 0.61 -0.08 0.28 -2.02 0.00 0.00 178.31 177.14 2vay h VAL 142 N 0.51 0.77 -0.96 1.41 2.07 -1.08 0.43 116.25 119.41 2vay h VAL 142 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.72 2vay h VAL 142 Cb 0.26 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 2vay h VAL 142 CO -0.00 0.00 0.62 -0.61 0.02 0.00 0.00 177.57 177.60 2vay h GLN 143 N -0.13 1.07 -0.41 1.57 5.75 -1.37 0.69 115.11 122.29 2vay h GLN 143 Ca 0.05 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.35 2vay h GLN 143 Cb 0.19 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 2vay h GLN 143 CO -0.12 0.71 -0.26 1.98 -2.65 0.00 0.00 178.83 178.49 2vay h MET 144 N 1.11 0.90 0.08 1.69 4.05 -0.23 -2.63 114.93 119.90 2vay h MET 144 Ca 0.41 -0.42 -0.11 0.00 -0.28 0.00 0.00 59.70 59.30 2vay h MET 144 Cb 0.18 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 30.98 2vay h MET 144 CO -0.16 1.07 -0.48 0.52 0.23 0.00 0.00 176.91 178.09 2vay h MET 145 N 0.72 0.18 0.00 0.39 2.86 0.68 -3.32 114.93 116.44 2vay h MET 145 Ca 0.08 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 2vay h MET 145 Cb 0.84 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 2vay h MET 145 CO 0.07 1.14 -0.12 1.79 1.06 0.00 0.00 176.91 180.85 2vay h THR 146 N -0.62 0.56 0.00 2.22 1.35 0.25 -3.41 112.91 113.25 2vay h THR 146 Ca -0.08 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2vay h THR 146 Cb 1.37 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2vay h THR 146 CO 0.09 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 175.48 2vay n ALA 147 N -2.28 0.00 0.25 6.62 0.00 -0.99 -5.07 120.51 119.04 2vay n ALA 147 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.45 2vay n ALA 147 Cb 0.24 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.72 2vay n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13