#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2av3 h VAL 3 N 0.00 0.99 -0.24 -3.33 3.04 -1.88 -1.61 116.25 113.23 2av3 h VAL 3 Ca 0.00 -0.72 -0.18 0.00 -1.01 0.00 0.00 66.70 64.79 2av3 h VAL 3 Cb 0.00 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2av3 h VAL 3 CO 0.00 0.20 -0.58 1.88 -1.01 0.00 0.00 177.57 178.06 2av3 h TYR 4 N 0.00 0.95 -0.10 3.17 0.05 -1.95 -1.15 116.97 117.93 2av3 h TYR 4 Ca -0.00 -0.35 -0.20 0.00 0.05 0.00 0.00 58.73 58.23 2av3 h TYR 4 Cb 0.39 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2av3 h TYR 4 CO 0.00 1.14 -0.77 -0.44 -1.05 0.00 0.00 178.16 177.04 2av3 h ASP 5 N 0.57 0.67 -0.37 3.88 3.32 -1.92 -2.86 116.42 119.71 2av3 h ASP 5 Ca 0.00 -0.45 -0.09 0.00 0.02 0.00 0.00 57.03 56.52 2av3 h ASP 5 Cb 1.16 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 2av3 h ASP 5 CO 0.12 1.22 -0.08 0.00 -1.72 0.00 0.00 179.24 178.78 2av3 h ALA 6 N 0.77 1.01 -0.04 3.45 0.00 -1.24 -2.56 119.26 120.65 2av3 h ALA 6 Ca -0.05 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2av3 h ALA 6 Cb 1.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2av3 h ALA 6 CO 0.14 0.60 -0.40 0.00 0.00 0.00 0.00 179.25 179.59 2av3 h ALA 7 N 1.18 1.27 0.00 0.00 0.00 -1.18 -2.33 119.26 118.20 2av3 h ALA 7 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2av3 h ALA 7 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2av3 h ALA 7 CO 0.03 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2av3 n ALA 8 N -2.47 1.62 1.39 0.00 0.00 -0.97 -2.18 120.51 117.91 2av3 n ALA 8 Ca -0.02 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.65 2av3 n ALA 8 Cb 0.45 -1.37 0.74 0.00 0.00 0.00 0.00 19.45 19.26 2av3 n ALA 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2av3 n GLN 9 N -2.19 0.43 -2.86 0.00 1.13 -0.88 -4.42 117.38 108.58 2av3 n GLN 9 Ca 0.02 0.01 -0.44 0.00 -1.94 0.00 0.00 57.00 54.65 2av3 n GLN 9 Cb 0.21 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.05 2av3 n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2av3 s LEU 10 N -2.56 4.77 1.02 1.08 1.43 -0.93 -4.98 118.68 118.51 2av3 s LEU 10 Ca 0.28 -2.62 -0.15 0.00 -1.03 0.00 0.00 54.13 50.62 2av3 s LEU 10 Cb 0.20 -2.44 0.20 0.00 0.03 0.00 0.00 46.19 44.18 2av3 s LEU 10 CO 0.44 -0.93 1.14 0.42 0.23 0.00 0.00 176.35 177.66 2av3 s THR 11 N 2.44 1.89 0.17 5.49 -4.23 -1.26 -4.71 115.64 115.43 2av3 s THR 11 Ca 0.43 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.77 2av3 s THR 11 Cb -0.02 -2.66 0.11 0.00 1.34 0.00 0.00 72.50 71.28 2av3 s THR 11 CO -0.01 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.73 2av3 h ALA 12 N -1.90 0.31 -0.12 3.99 0.00 -1.97 -0.66 119.26 118.91 2av3 h ALA 12 Ca -0.49 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 2av3 h ALA 12 Cb 1.31 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2av3 h ALA 12 CO 0.51 -0.44 -0.45 -0.44 0.00 0.00 0.00 179.25 178.42 2av3 h ASP 13 N 0.02 0.30 -0.28 0.00 3.32 -1.99 -1.81 116.42 115.98 2av3 h ASP 13 Ca 0.21 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2av3 h ASP 13 Cb 0.32 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2av3 h ASP 13 CO -0.44 0.71 0.03 0.58 -1.72 0.00 0.00 179.24 178.41 2av3 h VAL 14 N 0.23 1.24 -0.66 -1.35 2.07 -1.75 -1.09 116.25 114.93 2av3 h VAL 14 Ca 0.02 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2av3 h VAL 14 Cb 0.89 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2av3 h VAL 14 CO 0.07 0.26 0.43 0.11 0.02 0.00 0.00 177.57 178.47 2av3 h LYS 15 N 0.27 0.88 -0.32 1.57 1.57 -1.01 -1.50 116.57 118.02 2av3 h LYS 15 Ca 0.08 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2av3 h LYS 15 Cb 0.36 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2av3 h LYS 15 CO 0.01 0.59 0.18 -0.22 -0.57 0.00 0.00 179.45 179.43 2av3 h LYS 16 N 0.90 0.45 -0.16 3.15 1.63 -1.14 -1.50 116.57 119.90 2av3 h LYS 16 Ca 0.24 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.94 2av3 h LYS 16 Cb -0.09 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.44 2av3 h LYS 16 CO -0.05 0.38 -0.11 -0.44 -3.45 0.00 0.00 179.45 175.78 2av3 h ASP 17 N 0.40 0.23 -0.28 4.20 3.32 -0.92 -0.49 116.42 122.89 2av3 h ASP 17 Ca 0.11 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 2av3 h ASP 17 Cb 0.06 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2av3 h ASP 17 CO -0.02 0.37 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.80 2av3 h LEU 18 N 0.24 0.50 -0.23 1.55 3.38 -0.90 -2.22 115.31 117.64 2av3 h LEU 18 Ca 0.05 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2av3 h LEU 18 Cb 0.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2av3 h LEU 18 CO 0.02 0.69 0.04 0.03 0.09 0.00 0.00 178.44 179.31 2av3 h ARG 19 N 0.29 0.37 -0.81 1.13 3.08 -0.78 -0.24 114.38 117.43 2av3 h ARG 19 Ca 0.08 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2av3 h ARG 19 Cb 0.44 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2av3 h ARG 19 CO 0.02 0.51 0.53 -0.44 -1.07 0.00 0.00 179.97 179.52 2av3 h ASP 20 N 0.18 0.90 0.19 7.04 3.32 -1.11 -0.68 116.42 126.25 2av3 h ASP 20 Ca 0.07 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.87 2av3 h ASP 20 Cb 0.32 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.66 2av3 h ASP 20 CO 0.00 0.64 -0.93 0.77 -1.72 0.00 0.00 179.24 178.00 2av3 h SER 21 N 1.07 0.68 -0.18 6.45 4.64 -1.35 -3.17 113.55 121.68 2av3 h SER 21 Ca 0.31 -0.52 -0.05 0.00 -0.47 0.00 0.00 61.79 61.06 2av3 h SER 21 Cb -0.08 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 2av3 h SER 21 CO -0.08 1.31 -0.01 -0.25 -0.87 0.00 0.00 176.83 176.93 2av3 h TRP 22 N 0.31 0.47 -1.01 4.77 2.91 -0.79 -0.75 115.95 121.87 2av3 h TRP 22 Ca -0.09 -0.04 0.23 0.00 1.13 0.00 0.00 58.89 60.12 2av3 h TRP 22 Cb 1.57 -0.14 -0.11 0.00 -0.51 0.00 0.00 29.16 29.97 2av3 h TRP 22 CO 0.07 0.48 0.62 -0.22 -1.03 0.00 0.00 178.44 178.36 2av3 h LYS 23 N 0.44 0.58 0.00 2.65 1.63 -1.09 0.59 116.57 121.37 2av3 h LYS 23 Ca 0.10 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.71 2av3 h LYS 23 Cb 0.31 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 2av3 h LYS 23 CO 0.01 0.38 -0.99 0.28 -3.45 0.00 0.00 179.45 175.68 2av3 h VAL 24 N 0.59 0.61 -0.70 2.00 2.07 -1.45 -3.35 116.25 116.03 2av3 h VAL 24 Ca 0.61 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 2av3 h VAL 24 Cb 1.18 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 2av3 h VAL 24 CO -0.40 0.21 0.30 0.40 0.02 0.00 0.00 177.57 178.09 2av3 h ILE 25 N -1.00 1.23 0.00 4.57 5.03 -1.02 -2.42 117.51 123.90 2av3 h ILE 25 Ca -0.23 -0.71 0.00 0.00 -0.12 0.00 0.00 64.86 63.80 2av3 h ILE 25 Cb 1.03 0.38 0.00 0.00 -3.03 0.00 0.00 36.82 35.20 2av3 h ILE 25 CO -0.14 0.29 0.00 0.61 -0.68 0.00 0.00 178.15 178.23 2av3 n GLY 26 N -1.01 -0.88 0.16 5.37 0.00 0.21 -3.21 105.19 105.83 2av3 n GLY 26 Ca 0.06 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2av3 n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2av3 h SER 27 N 0.00 0.00 -2.55 1.61 4.64 -1.56 -3.36 113.55 112.33 2av3 h SER 27 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 2av3 h SER 27 Cb 0.04 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.73 2av3 h SER 27 CO 0.00 0.43 -0.76 -0.67 -0.87 0.00 0.00 176.83 174.96 2av3 n ASP 28 N -3.28 1.85 -0.07 4.97 2.03 -1.20 -4.96 116.55 115.89 2av3 n ASP 28 Ca 0.02 -2.97 -0.00 0.00 0.52 0.00 0.00 54.79 52.36 2av3 n ASP 28 Cb 0.66 -0.67 0.28 0.00 -0.72 0.00 0.00 41.12 40.67 2av3 n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2av3 h LYS 29 N 5.00 0.69 0.06 -0.67 1.57 -1.76 -1.45 116.57 120.00 2av3 h LYS 29 Ca 0.18 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2av3 h LYS 29 Cb 0.79 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2av3 h LYS 29 CO 0.61 0.59 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.83 2av3 h LYS 30 N 0.68 -0.07 -0.00 3.15 3.64 -1.92 -0.77 116.57 121.27 2av3 h LYS 30 Ca 0.16 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2av3 h LYS 30 Cb 0.18 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2av3 h LYS 30 CO -0.01 0.44 0.00 0.78 -2.27 0.00 0.00 179.45 178.39 2av3 h GLY 31 N -0.64 0.00 2.00 5.01 0.00 -1.97 -1.76 103.07 105.72 2av3 h GLY 31 Ca -0.01 -0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 2av3 h GLY 31 CO 0.01 0.00 -0.64 3.43 0.00 0.00 0.00 176.54 179.35 2av3 h ASN 32 N -0.20 0.00 -0.36 0.19 -0.26 -1.40 -1.66 115.58 111.89 2av3 h ASN 32 Ca 0.00 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 2av3 h ASN 32 Cb 0.21 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 2av3 h ASN 32 CO -0.00 0.64 -0.01 1.23 -1.06 0.00 0.00 177.43 178.23 2av3 h GLY 33 N 1.92 0.70 1.39 2.83 0.00 -1.07 -0.50 103.07 108.35 2av3 h GLY 33 Ca -0.01 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.65 2av3 h GLY 33 CO 0.08 0.48 -0.46 -2.08 0.00 0.00 0.00 176.54 174.57 2av3 h VAL 34 N 0.46 1.30 -0.75 4.60 2.07 -1.26 -2.52 116.25 120.16 2av3 h VAL 34 Ca 0.10 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 2av3 h VAL 34 Cb 0.48 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 2av3 h VAL 34 CO 0.02 0.53 0.42 0.00 0.02 0.00 0.00 177.57 178.55 2av3 h ALA 35 N 0.97 0.95 -0.09 1.67 0.00 -1.14 -0.22 119.26 121.40 2av3 h ALA 35 Ca 0.03 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2av3 h ALA 35 Cb 1.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2av3 h ALA 35 CO 0.09 0.46 0.01 1.25 0.00 0.00 0.00 179.25 181.07 2av3 h LEU 36 N 1.03 0.00 -0.36 0.00 5.85 -0.92 -1.64 115.31 119.26 2av3 h LEU 36 Ca 0.26 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 2av3 h LEU 36 Cb 0.02 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2av3 h LEU 36 CO -0.04 0.02 -0.07 0.24 -0.34 0.00 0.00 178.44 178.24 2av3 h MET 37 N 0.05 0.69 -0.47 1.25 2.86 -1.15 -2.20 114.93 115.96 2av3 h MET 37 Ca 0.04 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 2av3 h MET 37 Cb 0.03 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2av3 h MET 37 CO -0.05 0.83 0.10 1.79 1.06 0.00 0.00 176.91 180.64 2av3 h THR 38 N 0.49 1.21 -0.28 2.22 1.35 -0.97 -1.76 112.91 115.16 2av3 h THR 38 Ca 0.09 -0.77 -0.12 0.00 -0.55 0.00 0.00 66.41 65.07 2av3 h THR 38 Cb 0.57 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 2av3 h THR 38 CO 0.03 0.28 -0.32 0.74 -0.25 0.00 0.00 175.52 176.00 2av3 h THR 39 N 0.69 1.28 -0.24 6.82 2.02 -1.20 -1.39 112.91 120.90 2av3 h THR 39 Ca 0.15 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 2av3 h THR 39 Cb 0.28 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2av3 h THR 39 CO -0.00 0.46 0.11 0.25 0.37 0.00 0.00 175.52 176.71 2av3 h LEU 40 N 0.51 0.32 -1.30 2.58 5.85 -0.78 -0.83 115.31 121.67 2av3 h LEU 40 Ca 0.06 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 2av3 h LEU 40 Cb 0.81 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2av3 h LEU 40 CO 0.07 0.37 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.95 2av3 h PHE 41 N 0.24 0.00 0.05 1.25 0.04 -1.19 0.17 116.94 117.51 2av3 h PHE 41 Ca 0.08 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 2av3 h PHE 41 Cb 0.15 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.31 2av3 h PHE 41 CO -0.02 0.32 -0.55 0.00 -0.60 0.00 0.00 178.31 177.46 2av3 h ALA 42 N 1.68 -0.01 0.00 2.45 0.00 -0.99 -3.07 119.26 119.32 2av3 h ALA 42 Ca -0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 2av3 h ALA 42 Cb 0.67 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2av3 h ALA 42 CO 0.04 0.27 -0.74 -0.44 0.00 0.00 0.00 179.25 178.39 2av3 h ASP 43 N -0.37 0.00 -2.10 0.00 3.32 -1.13 -3.39 116.42 112.74 2av3 h ASP 43 Ca -0.08 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.39 2av3 h ASP 43 Cb 1.35 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.50 2av3 h ASP 43 CO 0.11 0.46 -0.91 0.59 -1.72 0.00 0.00 179.24 177.76 2av3 n ASN 44 N -3.10 1.45 -0.09 6.45 4.13 0.61 -4.94 115.26 119.77 2av3 n ASN 44 Ca -0.01 -2.95 0.25 0.00 1.68 0.00 0.00 54.58 53.54 2av3 n ASN 44 Cb 0.74 -0.65 0.71 0.00 -1.54 0.00 0.00 39.78 39.04 2av3 n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2av3 h GLN 45 N 4.14 0.00 -0.02 3.52 1.08 -1.72 -1.20 115.11 120.92 2av3 h GLN 45 Ca 0.12 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2av3 h GLN 45 Cb 0.80 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 2av3 h GLN 45 CO 0.59 0.00 0.02 1.05 -0.95 0.00 0.00 178.83 179.55 2av3 h GLU 46 N 0.00 0.00 0.00 1.46 9.09 -1.92 -1.90 114.58 121.31 2av3 h GLU 46 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 2av3 h GLU 46 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.47 2av3 h GLU 46 CO -0.00 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.31 2av3 n THR 47 N -3.83 0.50 -0.23 -1.06 -2.24 -0.45 -3.82 114.28 103.14 2av3 n THR 47 Ca -0.03 -0.20 0.06 0.00 -2.27 0.00 0.00 64.05 61.61 2av3 n THR 47 Cb 0.11 -0.60 0.31 0.00 -2.10 0.00 0.00 70.33 68.05 2av3 n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2av3 h ILE 48 N 0.00 1.02 -0.87 2.28 2.04 -1.50 -2.48 117.51 118.00 2av3 h ILE 48 Ca 0.00 -0.29 0.21 0.00 1.00 0.00 0.00 64.86 65.78 2av3 h ILE 48 Cb 0.67 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 2av3 h ILE 48 CO 0.00 0.15 0.59 1.23 0.00 0.00 0.00 178.15 180.12 2av3 h GLY 49 N 0.85 0.62 2.00 5.37 0.00 -1.78 0.13 103.07 110.26 2av3 h GLY 49 Ca 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2av3 h GLY 49 CO -0.13 -0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.44 2av3 h TYR 50 N 0.29 0.00 -0.69 5.60 0.05 -1.72 -3.21 116.97 117.29 2av3 h TYR 50 Ca 0.44 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.80 2av3 h TYR 50 Cb 1.27 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.77 2av3 h TYR 50 CO -0.00 0.00 0.15 1.19 -1.05 0.00 0.00 178.16 178.45 2av3 n PHE 51 N -2.70 2.23 -0.34 4.88 3.72 0.44 -4.75 117.46 120.94 2av3 n PHE 51 Ca 0.02 -2.07 0.08 0.00 -0.05 0.00 0.00 57.45 55.42 2av3 n PHE 51 Cb 0.29 -0.77 0.25 0.00 -0.94 0.00 0.00 39.48 38.30 2av3 n PHE 51 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2av3 h LYS 52 N 1.41 0.85 -0.34 -1.08 1.57 -1.63 -1.55 116.57 115.79 2av3 h LYS 52 Ca 0.42 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.21 2av3 h LYS 52 Cb 1.71 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 2av3 h LYS 52 CO 0.86 0.56 0.24 -0.09 -0.57 0.00 0.00 179.45 180.44 2av3 h ARG 53 N 0.87 0.19 0.00 3.15 2.43 -1.91 -1.89 114.38 117.22 2av3 h ARG 53 Ca 0.50 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 2av3 h ARG 53 Cb 0.59 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2av3 h ARG 53 CO -0.30 0.12 0.00 -0.07 -1.51 0.00 0.00 179.97 178.21 2av3 h LEU 54 N 0.19 0.00 0.00 3.80 4.07 -1.67 -3.49 115.31 118.22 2av3 h LEU 54 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 2av3 h LEU 54 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2av3 h LEU 54 CO -0.03 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.94 2av3 n GLY 55 N -0.23 0.13 3.56 0.83 0.00 -0.71 -4.56 105.19 104.20 2av3 n GLY 55 Ca 0.00 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 2av3 n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2av3 s ASP 56 N -4.00 5.72 0.63 1.61 2.15 -1.26 -4.83 116.67 116.69 2av3 s ASP 56 Ca 0.00 -0.86 0.38 0.00 0.43 0.00 0.00 52.55 52.50 2av3 s ASP 56 Cb 0.00 -2.56 2.17 0.00 -0.30 0.00 0.00 42.92 42.23 2av3 s ASP 56 CO 0.00 -2.20 2.32 0.58 -0.17 0.00 0.00 175.17 175.70 2av3 h VAL 57 N 6.98 0.22 0.00 1.11 2.07 -1.94 -2.69 116.25 122.00 2av3 h VAL 57 Ca 0.08 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2av3 h VAL 57 Cb 1.02 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2av3 h VAL 57 CO 1.30 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.35 2av3 n SER 58 N -3.40 0.21 0.20 0.57 3.41 -1.26 -2.56 113.62 110.78 2av3 n SER 58 Ca -0.03 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.26 2av3 n SER 58 Cb 0.08 -0.59 0.53 0.00 -0.26 0.00 0.00 64.21 63.98 2av3 n SER 58 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2av3 h GLN 59 N 0.00 0.00 0.00 4.33 1.08 -1.89 -3.48 115.11 115.15 2av3 h GLN 59 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2av3 h GLN 59 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2av3 h GLN 59 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 2av3 n GLY 60 N 0.26 3.52 0.45 3.46 0.00 -1.06 -2.65 105.19 109.18 2av3 n GLY 60 Ca 0.02 -0.12 0.26 0.00 0.00 0.00 0.00 46.02 46.18 2av3 n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2av3 h MET 61 N 0.00 0.14 0.00 1.61 1.85 -1.92 -0.24 114.93 116.37 2av3 h MET 61 Ca 0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2av3 h MET 61 Cb 0.00 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.00 2av3 h MET 61 CO 0.00 0.09 0.00 0.00 -0.40 0.00 0.00 176.91 176.60 2av3 h ALA 62 N 1.56 1.00 -1.84 0.39 0.00 -1.92 -3.42 119.26 115.03 2av3 h ALA 62 Ca 0.46 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.79 2av3 h ALA 62 Cb 1.59 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.29 2av3 h ALA 62 CO -0.08 0.00 0.69 1.21 0.00 0.00 0.00 179.25 181.07 2av3 s ASN 63 N -5.32 6.52 0.25 0.00 3.84 -0.10 -4.92 114.94 115.20 2av3 s ASN 63 Ca 0.03 0.17 -0.05 0.00 0.21 0.00 0.00 52.86 53.22 2av3 s ASN 63 Cb 0.09 -2.48 0.33 0.00 -0.55 0.00 0.00 41.25 38.64 2av3 s ASN 63 CO 0.52 -1.14 1.88 0.44 -2.79 0.00 0.00 177.10 176.01 2av3 h ASP 64 N 9.16 0.96 -0.36 -4.21 3.32 -1.85 -0.03 116.42 123.41 2av3 h ASP 64 Ca -0.24 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.68 2av3 h ASP 64 Cb 1.07 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2av3 h ASP 64 CO 1.07 0.63 -0.27 0.11 -1.72 0.00 0.00 179.24 179.06 2av3 h LYS 65 N 1.11 0.87 -0.32 3.56 1.57 -1.91 0.27 116.57 121.71 2av3 h LYS 65 Ca 0.38 -0.39 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2av3 h LYS 65 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2av3 h LYS 65 CO -0.15 1.03 -0.06 1.25 -0.57 0.00 0.00 179.45 180.96 2av3 h LEU 66 N 0.74 0.62 -0.66 2.94 5.85 -1.70 -1.24 115.31 121.85 2av3 h LEU 66 Ca 0.09 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2av3 h LEU 66 Cb 0.82 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2av3 h LEU 66 CO 0.07 0.82 0.40 -0.09 -0.34 0.00 0.00 178.44 179.30 2av3 h ARG 67 N 0.40 0.90 -0.58 1.25 2.43 -0.85 0.09 114.38 118.02 2av3 h ARG 67 Ca 0.08 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2av3 h ARG 67 Cb 0.55 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2av3 h ARG 67 CO 0.03 0.65 0.31 0.78 -1.51 0.00 0.00 179.97 180.23 2av3 h GLY 68 N 0.90 0.86 0.92 2.80 0.00 -0.79 -1.75 103.07 106.01 2av3 h GLY 68 Ca 0.24 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2av3 h GLY 68 CO -0.04 0.38 0.12 0.84 0.00 0.00 0.00 176.54 177.83 2av3 h HIS 69 N 0.78 0.50 -0.53 5.60 -0.00 -0.81 -2.43 115.15 118.26 2av3 h HIS 69 Ca 0.20 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 2av3 h HIS 69 Cb 0.06 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.29 2av3 h HIS 69 CO -0.01 0.49 0.34 0.77 -0.00 0.00 0.00 177.93 179.52 2av3 h SER 70 N 0.37 0.62 -0.47 3.26 0.02 -0.78 0.50 113.55 117.07 2av3 h SER 70 Ca 0.11 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2av3 h SER 70 Cb 0.21 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2av3 h SER 70 CO -0.01 0.48 0.16 0.40 -1.14 0.00 0.00 176.83 176.72 2av3 h ILE 71 N 0.72 1.22 -0.70 3.27 2.04 -1.32 -2.61 117.51 120.13 2av3 h ILE 71 Ca 0.19 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 2av3 h ILE 71 Cb -0.05 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2av3 h ILE 71 CO -0.04 0.26 0.26 0.74 0.00 0.00 0.00 178.15 179.37 2av3 h THR 72 N 0.63 1.25 -0.87 -0.27 2.02 -1.09 -2.37 112.91 112.20 2av3 h THR 72 Ca 0.15 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2av3 h THR 72 Cb 0.25 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 2av3 h THR 72 CO -0.01 0.32 0.51 0.25 0.37 0.00 0.00 175.52 176.97 2av3 h LEU 73 N 1.02 1.04 -1.53 2.58 6.46 -0.68 -2.22 115.31 121.98 2av3 h LEU 73 Ca 0.23 -0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.88 2av3 h LEU 73 Cb 0.23 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 2av3 h LEU 73 CO -0.02 0.80 -0.24 0.24 -0.62 0.00 0.00 178.44 178.61 2av3 h MET 74 N 1.19 0.00 0.00 1.25 2.86 -1.05 -1.98 114.93 117.20 2av3 h MET 74 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2av3 h MET 74 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2av3 h MET 74 CO -0.06 0.24 0.00 1.88 1.06 0.00 0.00 176.91 180.04 2av3 h TYR 75 N 0.00 0.00 -0.03 -0.22 0.05 -1.20 -1.31 116.97 114.26 2av3 h TYR 75 Ca -0.00 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.55 2av3 h TYR 75 Cb 0.49 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.23 2av3 h TYR 75 CO 0.00 0.00 -0.92 0.00 -1.05 0.00 0.00 178.16 176.19 2av3 h ALA 76 N 2.06 0.33 -0.29 3.88 0.00 -1.20 -1.21 119.26 122.83 2av3 h ALA 76 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 2av3 h ALA 76 Cb 0.80 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2av3 h ALA 76 CO 0.00 0.76 -0.36 -0.07 0.00 0.00 0.00 179.25 179.58 2av3 h LEU 77 N 0.32 0.68 -0.63 0.00 3.38 -1.27 -1.32 115.31 116.47 2av3 h LEU 77 Ca -0.08 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 2av3 h LEU 77 Cb 1.55 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 2av3 h LEU 77 CO 0.17 0.98 0.39 -0.61 0.09 0.00 0.00 178.44 179.46 2av3 h GLN 78 N 0.55 0.85 0.16 1.13 5.75 -1.15 -0.67 115.11 121.73 2av3 h GLN 78 Ca 0.05 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2av3 h GLN 78 Cb 0.87 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.21 2av3 h GLN 78 CO 0.08 0.59 -0.26 -0.97 -2.65 0.00 0.00 178.83 175.62 2av3 h ASN 79 N 0.85 -0.73 -0.38 -0.69 -0.73 -0.79 -1.16 115.58 111.95 2av3 h ASN 79 Ca 0.23 0.08 0.06 0.00 1.87 0.00 0.00 56.30 58.54 2av3 h ASN 79 Cb -0.04 0.27 -0.05 0.00 0.27 0.00 0.00 38.32 38.77 2av3 h ASN 79 CO -0.04 -0.36 0.07 -0.26 -0.37 0.00 0.00 177.43 176.46 2av3 h PHE 80 N -0.50 0.11 -0.77 0.67 0.04 -0.78 -2.04 116.94 113.67 2av3 h PHE 80 Ca 0.02 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.83 2av3 h PHE 80 Cb 0.50 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 2av3 h PHE 80 CO -0.22 0.01 0.50 0.82 -0.60 0.00 0.00 178.31 178.82 2av3 h ILE 81 N 0.19 1.15 0.00 -0.55 1.08 -0.93 -1.76 117.51 116.69 2av3 h ILE 81 Ca 0.18 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2av3 h ILE 81 Cb 0.22 0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 34.03 2av3 h ILE 81 CO -0.25 0.18 -0.01 0.44 -0.69 0.00 0.00 178.15 177.83 2av3 h ASP 82 N 1.00 0.00 -0.19 1.72 3.32 -0.58 -2.68 116.42 119.00 2av3 h ASP 82 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2av3 h ASP 82 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2av3 h ASP 82 CO -0.09 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.43 2av3 n GLN 83 N -3.10 2.15 0.17 3.56 1.13 -0.68 -4.47 117.38 116.14 2av3 n GLN 83 Ca -0.00 -1.71 0.15 0.00 -1.94 0.00 0.00 57.00 53.49 2av3 n GLN 83 Cb 0.24 -1.47 0.74 0.00 0.11 0.00 0.00 30.24 29.87 2av3 n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2av3 h LEU 84 N 3.66 0.00 -1.15 1.08 3.38 -1.29 -2.28 115.31 118.71 2av3 h LEU 84 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2av3 h LEU 84 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2av3 h LEU 84 CO 0.00 0.00 -0.36 0.44 0.09 0.00 0.00 178.44 178.61 2av3 h ASP 85 N 0.00 0.12 -3.68 -0.43 3.32 -1.83 -3.40 116.42 110.51 2av3 h ASP 85 Ca 0.10 -0.04 -0.65 0.00 0.02 0.00 0.00 57.03 56.46 2av3 h ASP 85 Cb 0.44 -0.03 -0.39 0.00 0.22 0.00 0.00 39.33 39.57 2av3 h ASP 85 CO -0.00 0.48 -0.76 0.21 -1.72 0.00 0.00 179.24 177.45 2av3 s ASN 86 N -6.90 4.47 0.35 6.45 3.84 -0.86 -5.00 114.94 117.29 2av3 s ASN 86 Ca -0.04 -1.75 0.09 0.00 0.21 0.00 0.00 52.86 51.37 2av3 s ASN 86 Cb 0.14 -1.47 0.83 0.00 -0.55 0.00 0.00 41.25 40.20 2av3 s ASN 86 CO 0.74 -0.31 1.83 -0.65 -2.79 0.00 0.00 177.10 175.93 2av3 h PRO 87 N 7.75 0.66 -0.56 0.43 0.11 -1.79 -0.77 132.00 137.84 2av3 h PRO 87 Ca -0.11 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 2av3 h PRO 87 Cb 1.03 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 2av3 h PRO 87 CO 0.48 0.44 0.11 -0.44 -0.21 0.00 0.00 178.00 178.39 2av3 h ASP 88 N 0.68 0.83 0.08 -2.05 3.32 -1.94 -0.63 116.42 116.71 2av3 h ASP 88 Ca 0.50 -0.16 -0.24 0.00 0.02 0.00 0.00 57.03 57.14 2av3 h ASP 88 Cb 0.86 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.20 2av3 h ASP 88 CO -0.26 0.82 -0.95 0.44 -1.72 0.00 0.00 179.24 177.57 2av3 h ASP 89 N 0.84 0.80 -0.22 6.45 3.32 -1.54 -2.74 116.42 123.33 2av3 h ASP 89 Ca 0.18 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2av3 h ASP 89 Cb 0.34 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2av3 h ASP 89 CO 0.00 1.41 0.14 0.25 -1.72 0.00 0.00 179.24 179.32 2av3 h LEU 90 N 0.37 0.26 -0.53 1.55 5.85 -0.93 -2.31 115.31 119.57 2av3 h LEU 90 Ca -0.10 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2av3 h LEU 90 Cb 1.59 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 2av3 h LEU 90 CO 0.18 0.21 0.34 0.58 -0.34 0.00 0.00 178.44 179.41 2av3 h VAL 91 N 0.29 1.10 -0.03 1.05 2.07 -1.16 -1.04 116.25 118.53 2av3 h VAL 91 Ca 0.08 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 2av3 h VAL 91 Cb -0.01 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2av3 h VAL 91 CO -0.02 0.12 -0.35 0.00 0.02 0.00 0.00 177.57 177.35 2av3 h VAL 93 N 0.06 1.69 -0.23 0.00 -1.51 -1.14 -2.38 116.25 112.74 2av3 h VAL 93 Ca 0.01 -3.32 -0.06 0.00 -1.23 0.00 0.00 66.70 62.10 2av3 h VAL 93 Cb 0.65 2.80 -0.01 0.00 -2.13 0.00 0.00 31.29 32.61 2av3 h VAL 93 CO 0.05 0.95 -0.08 0.58 -1.23 0.00 0.00 177.57 177.84 2av3 h VAL 94 N 0.00 1.29 -0.28 7.19 2.07 -0.82 -2.01 116.25 123.70 2av3 h VAL 94 Ca -0.02 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 2av3 h VAL 94 Cb 1.73 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 2av3 h VAL 94 CO 0.13 0.34 -0.07 -0.33 0.02 0.00 0.00 177.57 177.66 2av3 h GLU 95 N 0.18 0.44 -0.41 1.57 5.08 -1.14 -1.16 114.58 119.15 2av3 h GLU 95 Ca 0.05 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2av3 h GLU 95 Cb 0.55 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2av3 h GLU 95 CO 0.03 0.52 0.18 -0.22 -1.00 0.00 0.00 179.01 178.52 2av3 h LYS 96 N 0.42 0.59 -0.66 2.33 1.63 -1.26 -2.67 116.57 116.94 2av3 h LYS 96 Ca 0.09 -0.10 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 2av3 h LYS 96 Cb 0.38 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 2av3 h LYS 96 CO 0.02 0.54 0.17 1.25 -3.45 0.00 0.00 179.45 177.98 2av3 h LEU 97 N 0.51 0.97 -1.55 5.20 7.12 -0.92 -2.94 115.31 123.71 2av3 h LEU 97 Ca 0.14 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 57.95 2av3 h LEU 97 Cb 0.15 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.01 2av3 h LEU 97 CO -0.01 0.93 0.19 0.00 -0.13 0.00 0.00 178.44 179.42 2av3 h ALA 98 N 1.19 1.66 -0.41 1.25 0.00 -0.91 -3.27 119.26 118.76 2av3 h ALA 98 Ca 0.21 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2av3 h ALA 98 Cb 0.33 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 2av3 h ALA 98 CO -0.00 0.29 -0.51 0.28 0.00 0.00 0.00 179.25 179.31 2av3 h VAL 99 N 0.50 0.00 0.00 0.00 2.07 -1.29 0.19 116.25 117.71 2av3 h VAL 99 Ca 0.13 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 2av3 h VAL 99 Cb 0.03 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 2av3 h VAL 99 CO -0.02 0.00 -0.25 0.78 0.02 0.00 0.00 177.57 178.10 2av3 h ASN 100 N -0.34 0.00 0.36 0.57 2.35 -1.75 -1.82 115.58 114.95 2av3 h ASN 100 Ca 0.07 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.65 2av3 h ASN 100 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2av3 h ASN 100 CO -0.57 0.25 -0.69 0.45 -1.65 0.00 0.00 177.43 175.22 2av3 h HIS 101 N 0.00 0.39 -0.46 1.19 3.86 -1.34 -2.11 115.15 116.69 2av3 h HIS 101 Ca -0.00 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 58.94 2av3 h HIS 101 Cb 0.47 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 2av3 h HIS 101 CO 0.00 0.89 -0.10 0.82 0.86 0.00 0.00 177.93 180.40 2av3 h ILE 102 N 0.20 1.27 -0.94 2.45 2.04 -0.18 -0.24 117.51 122.12 2av3 h ILE 102 Ca -0.02 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.67 2av3 h ILE 102 Cb 1.24 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 38.38 2av3 h ILE 102 CO 0.11 0.41 0.61 0.74 0.00 0.00 0.00 178.15 180.03 2av3 h THR 103 N 0.71 1.13 -0.01 -0.27 2.02 -1.19 0.83 112.91 116.13 2av3 h THR 103 Ca 0.12 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2av3 h THR 103 Cb 0.64 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2av3 h THR 103 CO 0.04 0.21 0.00 0.54 0.37 0.00 0.00 175.52 176.68 2av3 n ARG 104 N -4.46 1.07 -3.52 6.66 1.74 -0.81 -4.90 116.66 112.45 2av3 n ARG 104 Ca 0.13 -0.10 -0.22 0.00 -0.77 0.00 0.00 57.85 56.89 2av3 n ARG 104 Cb 0.13 -1.33 0.08 0.00 -1.02 0.00 0.00 32.46 30.31 2av3 n ARG 104 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2av3 n LYS 105 N -0.72 -7.44 -3.20 5.56 5.02 0.29 -4.97 118.16 112.71 2av3 n LYS 105 Ca 0.16 0.80 -0.41 0.00 -2.02 0.00 0.00 58.31 56.84 2av3 n LYS 105 Cb 0.10 -5.76 -0.07 0.00 -0.02 0.00 0.00 35.03 29.27 2av3 n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2av3 s ILE 106 N -3.32 5.00 0.75 -0.18 -1.09 -0.14 -5.03 121.20 117.19 2av3 s ILE 106 Ca 0.45 0.63 -0.11 0.00 -2.23 0.00 0.00 60.65 59.39 2av3 s ILE 106 Cb -0.20 -3.95 0.05 0.00 -1.58 0.00 0.00 42.46 36.79 2av3 s ILE 106 CO 0.70 -0.13 1.12 -0.94 -1.23 0.00 0.00 174.94 174.47 2av3 s SER 107 N 1.68 4.91 0.24 3.58 1.04 -1.26 -4.59 113.70 119.30 2av3 s SER 107 Ca 0.21 0.86 -0.07 0.00 0.48 0.00 0.00 55.95 57.44 2av3 s SER 107 Cb -0.15 -1.50 0.24 0.00 0.10 0.00 0.00 66.02 64.72 2av3 s SER 107 CO 0.12 -1.64 1.91 0.00 0.98 0.00 0.00 173.24 174.61 2av3 h ALA 108 N -0.83 1.20 -0.62 5.32 0.00 -1.88 -0.26 119.26 122.19 2av3 h ALA 108 Ca -0.45 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2av3 h ALA 108 Cb 1.30 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2av3 h ALA 108 CO 0.64 0.58 0.11 0.00 0.00 0.00 0.00 179.25 180.58 2av3 h ALA 109 N 1.35 1.02 -0.26 0.00 0.00 -1.94 -0.83 119.26 118.60 2av3 h ALA 109 Ca 0.35 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2av3 h ALA 109 Cb -0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2av3 h ALA 109 CO -0.08 0.63 -0.07 1.49 0.00 0.00 0.00 179.25 181.21 2av3 h GLU 110 N 0.95 0.51 -0.79 0.00 4.57 -1.77 -3.00 114.58 115.06 2av3 h GLU 110 Ca 0.19 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2av3 h GLU 110 Cb 0.40 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 2av3 h GLU 110 CO 0.01 0.73 0.43 0.35 -1.18 0.00 0.00 179.01 179.35 2av3 h PHE 111 N 0.26 1.07 0.00 0.92 3.57 -0.88 -2.18 116.94 119.70 2av3 h PHE 111 Ca 0.07 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2av3 h PHE 111 Cb 0.55 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2av3 h PHE 111 CO 0.05 0.74 0.00 0.41 -2.23 0.00 0.00 178.31 177.28 2av3 n GLY 112 N -1.19 -0.75 0.02 2.40 0.00 -0.33 -1.94 105.19 103.40 2av3 n GLY 112 Ca 0.08 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.25 2av3 n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2av3 n LYS 113 N -1.85 0.03 0.15 1.61 5.02 -0.82 -2.09 118.16 120.20 2av3 n LYS 113 Ca -0.00 0.30 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 2av3 n LYS 113 Cb 0.05 -1.55 0.44 0.00 -0.02 0.00 0.00 35.03 33.94 2av3 n LYS 113 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2av3 h ILE 114 N 0.00 0.00 -0.95 -0.18 6.09 -1.61 -3.24 117.51 117.62 2av3 h ILE 114 Ca 0.00 -0.47 -0.01 0.00 -1.37 0.00 0.00 64.86 63.01 2av3 h ILE 114 Cb 0.24 1.38 -0.05 0.00 0.47 0.00 0.00 36.82 38.87 2av3 h ILE 114 CO 0.00 0.00 0.57 0.78 -3.07 0.00 0.00 178.15 176.43 2av3 h ASN 115 N 0.00 1.14 0.45 2.19 -0.26 -1.67 -1.66 115.58 115.78 2av3 h ASN 115 Ca 0.00 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.65 2av3 h ASN 115 Cb 0.62 -0.29 -0.00 0.00 -1.06 0.00 0.00 38.32 37.59 2av3 h ASN 115 CO 0.00 0.88 -0.27 1.23 -1.06 0.00 0.00 177.43 178.21 2av3 h GLY 116 N 1.31 -0.72 0.72 2.83 0.00 -1.79 -0.42 103.07 105.01 2av3 h GLY 116 Ca 0.34 0.30 0.06 0.00 0.00 0.00 0.00 47.33 48.03 2av3 h GLY 116 CO -0.06 -0.27 0.55 -2.55 0.00 0.00 0.00 176.54 174.20 2av3 h PRO 117 N -0.69 0.96 -0.39 4.80 0.11 -1.71 -1.49 132.00 133.59 2av3 h PRO 117 Ca -0.05 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 2av3 h PRO 117 Cb 0.56 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2av3 h PRO 117 CO 0.06 0.64 0.20 0.82 -0.21 0.00 0.00 178.00 179.51 2av3 h ILE 118 N 0.99 1.16 -0.67 4.15 2.04 -1.09 -0.24 117.51 123.85 2av3 h ILE 118 Ca 0.38 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.83 2av3 h ILE 118 Cb 0.17 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2av3 h ILE 118 CO -0.17 0.17 0.40 0.50 0.00 0.00 0.00 178.15 179.05 2av3 h LYS 119 N 0.50 0.73 -0.31 2.37 3.64 -0.50 -0.68 116.57 122.31 2av3 h LYS 119 Ca 0.14 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.33 2av3 h LYS 119 Cb 0.10 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2av3 h LYS 119 CO -0.02 0.48 -0.38 0.87 -2.27 0.00 0.00 179.45 178.13 2av3 h LYS 120 N 0.75 0.74 -0.46 1.90 1.57 -0.94 -1.41 116.57 118.71 2av3 h LYS 120 Ca 0.29 -0.37 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 2av3 h LYS 120 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2av3 h LYS 120 CO -0.15 0.99 -0.25 0.28 -0.57 0.00 0.00 179.45 179.75 2av3 h VAL 121 N 0.61 1.27 -0.37 0.50 2.07 -0.69 -2.20 116.25 117.43 2av3 h VAL 121 Ca 0.05 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 2av3 h VAL 121 Cb 0.92 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 2av3 h VAL 121 CO 0.08 0.49 0.19 -0.07 0.02 0.00 0.00 177.57 178.28 2av3 h LEU 122 N 0.84 0.47 -1.24 2.57 3.38 -1.05 -2.80 115.31 117.48 2av3 h LEU 122 Ca 0.10 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2av3 h LEU 122 Cb 0.84 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 2av3 h LEU 122 CO 0.07 0.45 0.51 0.00 0.09 0.00 0.00 178.44 179.57 2av3 h ALA 123 N 1.04 1.46 0.00 1.53 0.00 -1.12 0.19 119.26 122.36 2av3 h ALA 123 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2av3 h ALA 123 Cb 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2av3 h ALA 123 CO -0.02 0.49 0.00 0.66 0.00 0.00 0.00 179.25 180.39 2av3 h SER 124 N 1.04 0.00 -0.31 0.00 4.64 -1.12 -1.10 113.55 116.70 2av3 h SER 124 Ca 0.29 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 2av3 h SER 124 Cb -0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 2av3 h SER 124 CO -0.07 0.00 0.01 0.29 -0.87 0.00 0.00 176.83 176.19 2av3 n LYS 125 N -2.68 2.75 -2.27 4.77 4.01 -0.07 -4.96 118.16 119.71 2av3 n LYS 125 Ca -0.01 -2.92 -0.14 0.00 -0.51 0.00 0.00 58.31 54.72 2av3 n LYS 125 Cb 0.13 -1.86 -0.01 0.00 -0.51 0.00 0.00 35.03 32.78 2av3 n LYS 125 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2av3 n ASN 126 N -0.62 -4.35 -4.31 4.39 2.85 -0.42 -5.01 115.26 107.79 2av3 n ASN 126 Ca 0.25 -0.01 -0.37 0.00 -0.11 0.00 0.00 54.58 54.34 2av3 n ASN 126 Cb 0.96 -3.51 -0.13 0.00 1.24 0.00 0.00 39.78 38.34 2av3 n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2av3 s PHE 127 N -2.71 3.15 0.00 1.20 0.08 -0.47 -4.99 117.98 114.23 2av3 s PHE 127 Ca 0.00 -1.13 0.00 0.00 0.12 0.00 0.00 56.93 55.92 2av3 s PHE 127 Cb -0.00 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 2av3 s PHE 127 CO 0.00 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 174.91 2av3 n GLY 128 N 4.82 -0.45 0.37 4.36 0.00 -1.26 -2.92 105.19 110.11 2av3 n GLY 128 Ca -0.15 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.32 2av3 n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2av3 h ASP 129 N 0.00 0.69 -0.65 1.61 5.19 -1.98 -1.13 116.42 120.15 2av3 h ASP 129 Ca 0.00 0.07 0.12 0.00 -0.62 0.00 0.00 57.03 56.60 2av3 h ASP 129 Cb 0.00 -0.06 -0.08 0.00 0.18 0.00 0.00 39.33 39.36 2av3 h ASP 129 CO 0.00 0.29 0.21 0.50 -3.12 0.00 0.00 179.24 177.12 2av3 h LYS 130 N 0.70 0.35 -0.02 3.56 3.64 -1.99 0.15 116.57 122.95 2av3 h LYS 130 Ca 0.53 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.65 2av3 h LYS 130 Cb 0.90 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2av3 h LYS 130 CO -0.29 0.23 -0.92 1.88 -2.27 0.00 0.00 179.45 178.08 2av3 h TYR 131 N 0.36 0.96 -0.76 1.91 0.05 -1.57 -2.71 116.97 115.22 2av3 h TYR 131 Ca 0.34 -0.51 0.04 0.00 0.05 0.00 0.00 58.73 58.65 2av3 h TYR 131 Cb 0.49 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 2av3 h TYR 131 CO -0.20 1.34 0.50 0.00 -1.05 0.00 0.00 178.16 178.75 2av3 h ALA 132 N 0.40 1.56 -0.21 3.88 0.00 -0.72 -1.05 119.26 123.13 2av3 h ALA 132 Ca -0.11 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2av3 h ALA 132 Cb 1.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2av3 h ALA 132 CO 0.18 0.36 -0.46 -0.91 0.00 0.00 0.00 179.25 178.42 2av3 h ASN 133 N 0.92 0.56 -0.47 0.00 -0.26 -0.71 -1.51 115.58 114.11 2av3 h ASN 133 Ca 0.31 -0.27 -0.05 0.00 -0.56 0.00 0.00 56.30 55.73 2av3 h ASN 133 Cb 0.07 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 2av3 h ASN 133 CO -0.09 0.94 0.08 0.00 -1.06 0.00 0.00 177.43 177.30 2av3 h ALA 134 N 1.08 0.62 -0.02 -0.83 0.00 -0.95 -2.58 119.26 116.58 2av3 h ALA 134 Ca 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2av3 h ALA 134 Cb 0.96 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2av3 h ALA 134 CO 0.09 0.34 -0.38 -1.49 0.00 0.00 0.00 179.25 177.80 2av3 h TRP 135 N 0.64 0.05 -0.18 0.00 4.06 -1.09 -2.36 115.95 117.07 2av3 h TRP 135 Ca 0.14 -0.01 -0.06 0.00 2.06 0.00 0.00 58.89 61.02 2av3 h TRP 135 Cb 0.38 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 2av3 h TRP 135 CO 0.03 0.42 -0.15 0.00 -3.56 0.00 0.00 178.44 175.18 2av3 h ALA 136 N 1.58 1.42 -0.15 1.49 0.00 -0.97 -1.36 119.26 121.27 2av3 h ALA 136 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2av3 h ALA 136 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2av3 h ALA 136 CO 0.05 0.40 -0.50 0.87 0.00 0.00 0.00 179.25 180.08 2av3 h LYS 137 N 0.28 0.40 -0.26 0.00 1.57 -1.05 -0.95 116.57 116.55 2av3 h LYS 137 Ca 0.05 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 2av3 h LYS 137 Cb 0.43 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2av3 h LYS 137 CO 0.03 0.81 -0.29 1.25 -0.57 0.00 0.00 179.45 180.67 2av3 h LEU 138 N 0.32 0.71 -1.42 2.94 5.85 -1.26 -2.84 115.31 119.61 2av3 h LEU 138 Ca 0.01 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 2av3 h LEU 138 Cb 0.99 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2av3 h LEU 138 CO 0.09 1.05 0.10 0.58 -0.34 0.00 0.00 178.44 179.91 2av3 h VAL 139 N 0.38 1.15 0.00 1.05 2.07 -1.15 -1.61 116.25 118.15 2av3 h VAL 139 Ca 0.04 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2av3 h VAL 139 Cb 0.86 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2av3 h VAL 139 CO 0.07 0.19 -0.13 0.00 0.02 0.00 0.00 177.57 177.72 2av3 h ALA 140 N 1.63 1.49 -0.57 1.67 0.00 -0.93 -0.92 119.26 121.62 2av3 h ALA 140 Ca 0.12 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2av3 h ALA 140 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2av3 h ALA 140 CO -0.01 0.17 -0.01 0.28 0.00 0.00 0.00 179.25 179.67 2av3 h VAL 141 N 0.00 1.26 -0.19 0.00 2.07 -1.15 -1.27 116.25 116.98 2av3 h VAL 141 Ca -0.00 -1.14 -0.18 0.00 0.82 0.00 0.00 66.70 66.20 2av3 h VAL 141 Cb 0.29 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2av3 h VAL 141 CO 0.02 0.41 -0.57 0.58 0.02 0.00 0.00 177.57 178.03 2av3 h VAL 142 N 0.91 1.31 -0.52 2.57 2.07 -1.33 -3.03 116.25 118.22 2av3 h VAL 142 Ca 0.16 -1.79 0.08 0.00 0.82 0.00 0.00 66.70 65.97 2av3 h VAL 142 Cb 0.55 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 2av3 h VAL 142 CO 0.03 0.56 0.35 1.56 0.02 0.00 0.00 177.57 180.10 2av3 h GLN 143 N 0.42 0.39 0.00 1.57 4.20 -0.96 0.65 115.11 121.38 2av3 h GLN 143 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2av3 h GLN 143 Cb 1.19 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2av3 h GLN 143 CO 0.12 0.26 0.00 0.00 -0.67 0.00 0.00 178.83 178.54 2av3 h ALA 144 N 1.72 1.00 -0.02 3.87 0.00 -1.11 -2.81 119.26 121.92 2av3 h ALA 144 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2av3 h ALA 144 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2av3 h ALA 144 CO -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 178.94 2av3 n ALA 145 N -2.03 3.05 1.39 0.00 0.00 0.21 -4.21 120.51 118.91 2av3 n ALA 145 Ca 0.00 -0.63 0.14 0.00 0.00 0.00 0.00 53.44 52.95 2av3 n ALA 145 Cb 0.26 -0.85 0.43 0.00 0.00 0.00 0.00 19.45 19.29 2av3 n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78