#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cff n ASP 2 N 0.00 0.00 -4.36 0.00 8.00 -1.26 -4.79 116.55 114.14 1cff n ASP 2 Ca 0.00 0.58 -0.31 0.00 0.71 0.00 0.00 54.79 55.77 1cff n ASP 2 Cb 0.00 -0.08 0.20 0.00 -0.02 0.00 0.00 41.12 41.22 1cff n ASP 2 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1cff n GLN 3 N -0.76 -1.79 -1.57 -1.24 0.00 -1.26 -4.79 117.38 105.97 1cff n GLN 3 Ca 0.00 -0.50 0.01 0.00 -0.00 0.00 0.00 57.00 56.51 1cff n GLN 3 Cb 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 30.24 28.34 1cff n GLN 3 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1cff n LEU 4 N -2.86 -1.58 -4.74 1.69 -0.00 -1.26 -4.80 117.00 103.44 1cff n LEU 4 Ca 0.02 2.73 -0.41 0.00 -0.00 0.00 0.00 56.01 58.36 1cff n LEU 4 Cb 0.58 -3.15 -0.04 0.00 -0.00 0.00 0.00 43.42 40.81 1cff n LEU 4 CO 0.54 -0.87 0.83 0.42 -0.00 0.00 0.00 177.39 178.31 1cff s THR 5 N -5.32 3.65 -0.65 1.47 -4.23 -1.26 -4.86 115.64 104.44 1cff s THR 5 Ca 0.00 1.45 0.23 0.00 -1.18 0.00 0.00 61.69 62.19 1cff s THR 5 Cb 0.00 -3.93 -0.08 0.00 1.34 0.00 0.00 72.50 69.83 1cff s THR 5 CO 0.00 0.26 1.09 -0.62 -0.54 0.00 0.00 174.62 174.81 1cff n GLU 6 N 2.20 0.27 0.21 3.99 1.02 -1.26 -3.81 120.64 123.27 1cff n GLU 6 Ca 0.03 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.09 1cff n GLU 6 Cb 0.45 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.23 1cff n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1cff h GLU 7 N 0.00 -0.55 0.16 3.49 4.39 -1.99 -2.32 114.58 117.76 1cff h GLU 7 Ca 0.00 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1cff h GLU 7 Cb 0.71 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1cff h GLU 7 CO 0.00 -0.37 -0.08 1.96 -1.16 0.00 0.00 179.01 179.37 1cff h GLN 8 N -0.82 -0.20 -0.68 2.33 4.20 -2.01 -3.26 115.11 114.67 1cff h GLN 8 Ca -0.06 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.81 1cff h GLN 8 Cb 0.44 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 28.15 1cff h GLN 8 CO 0.10 0.23 0.04 0.97 -0.67 0.00 0.00 178.83 179.49 1cff h ILE 9 N -0.79 0.45 -1.07 2.54 2.10 -1.74 0.54 117.51 119.54 1cff h ILE 9 Ca -0.02 -0.05 0.32 0.00 1.08 0.00 0.00 64.86 66.18 1cff h ILE 9 Cb 0.53 0.29 -0.13 0.00 -1.09 0.00 0.00 36.82 36.43 1cff h ILE 9 CO 0.04 0.03 0.65 0.00 -1.08 0.00 0.00 178.15 177.78 1cff h ALA 10 N 1.62 2.15 -0.56 0.18 0.00 -1.47 1.60 119.26 122.77 1cff h ALA 10 Ca 0.37 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.46 1cff h ALA 10 Cb 0.62 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1cff h ALA 10 CO -0.57 -0.68 0.30 0.93 0.00 0.00 0.00 179.25 179.23 1cff h GLU 11 N 0.34 0.56 -0.32 0.00 4.39 0.05 0.73 114.58 120.33 1cff h GLU 11 Ca 0.70 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.41 1cff h GLU 11 Cb 1.72 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 30.23 1cff h GLU 11 CO -0.47 0.37 0.22 0.35 -1.16 0.00 0.00 179.01 178.32 1cff h PHE 12 N 0.58 0.23 -0.56 4.33 3.57 0.24 0.19 116.94 125.51 1cff h PHE 12 Ca 0.25 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 1cff h PHE 12 Cb 0.14 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1cff h PHE 12 CO -0.09 0.13 -0.03 -0.22 -2.23 0.00 0.00 178.31 175.86 1cff h LYS 13 N 0.23 1.02 -0.07 1.11 3.11 0.18 0.55 116.57 122.70 1cff h LYS 13 Ca 0.14 -0.34 0.02 0.00 -2.81 0.00 0.00 60.65 57.66 1cff h LYS 13 Cb 0.26 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1cff h LYS 13 CO -0.03 1.03 0.07 0.93 -2.81 0.00 0.00 179.45 178.65 1cff h GLU 14 N 0.90 0.00 0.20 1.90 5.08 0.26 0.80 114.58 123.74 1cff h GLU 14 Ca 0.16 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.18 1cff h GLU 14 Cb 0.59 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.86 1cff h GLU 14 CO 0.04 0.00 -1.62 0.00 -1.00 0.00 0.00 179.01 176.43 1cff h ALA 15 N 1.92 0.05 0.00 3.43 0.00 -0.87 -2.84 119.26 120.95 1cff h ALA 15 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1cff h ALA 15 Cb 0.18 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1cff h ALA 15 CO -0.00 0.92 0.00 0.35 0.00 0.00 0.00 179.25 180.52 1cff h PHE 16 N 0.12 0.00 0.17 0.00 3.57 0.16 2.13 116.94 123.09 1cff h PHE 16 Ca -0.30 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 60.87 1cff h PHE 16 Cb 2.12 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.86 1cff h PHE 16 CO 0.11 0.00 -1.68 0.77 -2.23 0.00 0.00 178.31 175.28 1cff h SER 17 N 0.00 0.56 0.77 0.41 0.02 0.48 -3.20 113.55 112.60 1cff h SER 17 Ca 0.00 -0.81 -0.21 0.00 -0.84 0.00 0.00 61.79 59.93 1cff h SER 17 Cb 0.23 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1cff h SER 17 CO 0.00 1.68 -0.96 -0.07 -1.14 0.00 0.00 176.83 176.33 1cff h LEU 18 N 0.10 0.15 -2.04 5.07 4.07 -1.05 -3.02 115.31 118.59 1cff h LEU 18 Ca -0.31 -0.14 0.11 0.00 0.08 0.00 0.00 57.88 57.62 1cff h LEU 18 Cb 2.08 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 43.76 1cff h LEU 18 CO 0.18 1.02 0.28 0.15 -1.08 0.00 0.00 178.44 179.00 1cff h PHE 19 N 0.04 0.00 0.00 1.13 3.04 0.34 0.68 116.94 122.18 1cff h PHE 19 Ca -0.04 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.78 1cff h PHE 19 Cb 1.66 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.15 1cff h PHE 19 CO 0.02 0.00 -0.60 0.22 -2.02 0.00 0.00 178.31 175.93 1cff h ASP 20 N 0.00 0.00 -6.59 0.41 1.82 -1.52 -3.46 116.42 107.08 1cff h ASP 20 Ca 0.17 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.30 1cff h ASP 20 Cb 0.74 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.73 1cff h ASP 20 CO -0.00 0.60 -0.94 1.17 -1.61 0.00 0.00 179.24 178.45 1cff n LYS 21 N -3.79 -1.64 0.00 0.28 4.81 0.24 -4.68 118.16 113.38 1cff n LYS 21 Ca -0.01 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1cff n LYS 21 Cb 0.61 -3.82 0.00 0.00 0.02 0.00 0.00 35.03 31.84 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1cff n ASP 22 N -2.68 0.00 -0.15 3.14 5.75 -1.26 -5.06 116.55 116.28 1cff n ASP 22 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.58 1cff n ASP 22 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1cff n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cff n GLY 23 N -0.88 0.54 0.50 6.12 0.00 -1.26 -5.05 105.19 105.17 1cff n GLY 23 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 1cff n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cff n ASP 24 N -0.12 1.69 0.00 1.61 2.03 -1.26 -5.04 116.55 115.46 1cff n ASP 24 Ca 0.00 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1cff n ASP 24 Cb 0.08 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 1cff n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cff n GLY 25 N 2.89 2.55 3.39 0.27 0.00 -1.26 -5.04 105.19 107.98 1cff n GLY 25 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1cff n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cff s THR 26 N -2.51 3.17 -0.15 2.61 -4.23 -1.26 -4.81 115.64 108.46 1cff s THR 26 Ca 0.00 -0.62 -0.18 0.00 -1.18 0.00 0.00 61.69 59.71 1cff s THR 26 Cb 0.00 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1cff s THR 26 CO 0.00 0.52 0.48 -0.63 -0.54 0.00 0.00 174.62 174.45 1cff s ILE 27 N 0.37 5.17 0.37 2.99 -1.09 -1.09 -4.93 121.20 122.99 1cff s ILE 27 Ca -0.10 0.93 0.03 0.00 -2.23 0.00 0.00 60.65 59.29 1cff s ILE 27 Cb -0.16 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1cff s ILE 27 CO 0.05 0.28 0.09 -0.89 -1.23 0.00 0.00 174.94 173.24 1cff s THR 28 N 0.95 0.87 0.55 2.92 2.01 -1.26 -1.14 115.64 120.54 1cff s THR 28 Ca 0.25 -2.00 0.36 0.00 0.31 0.00 0.00 61.69 60.61 1cff s THR 28 Cb -0.15 -2.54 0.54 0.00 0.01 0.00 0.00 72.50 70.36 1cff s THR 28 CO 0.10 0.00 1.79 0.71 -0.69 0.00 0.00 174.62 176.53 1cff h THR 29 N 1.93 0.38 0.56 -0.82 1.35 -1.94 1.20 112.91 115.57 1cff h THR 29 Ca -0.38 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.45 1cff h THR 29 Cb 1.26 0.40 0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1cff h THR 29 CO 0.63 0.00 -0.27 0.50 -0.25 0.00 0.00 175.52 176.13 1cff h LYS 30 N 0.00 -0.73 0.04 4.72 3.64 -1.97 0.20 116.57 122.48 1cff h LYS 30 Ca 0.55 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1cff h LYS 30 Cb 2.25 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 34.23 1cff h LYS 30 CO -0.01 -0.48 -0.02 0.93 -2.27 0.00 0.00 179.45 177.60 1cff h GLU 31 N -0.82 -0.05 -0.93 1.90 3.07 -1.53 -2.49 114.58 113.72 1cff h GLU 31 Ca -0.08 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 58.97 1cff h GLU 31 Cb 0.58 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.42 1cff h GLU 31 CO 0.13 0.57 0.60 1.25 -1.40 0.00 0.00 179.01 180.15 1cff h LEU 32 N -0.76 0.56 -0.83 1.33 7.12 0.13 0.46 115.31 123.31 1cff h LEU 32 Ca -0.01 0.05 -0.11 0.00 0.13 0.00 0.00 57.88 57.94 1cff h LEU 32 Cb 0.65 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.71 1cff h LEU 32 CO 0.01 0.23 -0.38 1.23 -0.13 0.00 0.00 178.44 179.41 1cff h GLY 33 N 0.56 0.45 0.31 3.75 0.00 -0.59 -2.81 103.07 104.75 1cff h GLY 33 Ca 0.49 -0.43 0.11 0.00 0.00 0.00 0.00 47.33 47.50 1cff h GLY 33 CO -0.23 0.39 0.22 -0.84 0.00 0.00 0.00 176.54 176.08 1cff h THR 34 N 0.35 0.73 -0.61 4.70 2.02 0.39 0.11 112.91 120.59 1cff h THR 34 Ca 0.04 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1cff h THR 34 Cb 0.82 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1cff h THR 34 CO 0.07 0.07 0.11 0.58 0.37 0.00 0.00 175.52 176.72 1cff h VAL 35 N 0.39 1.25 0.00 3.16 2.07 -1.32 -0.96 116.25 120.83 1cff h VAL 35 Ca 0.33 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1cff h VAL 35 Cb 0.44 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1cff h VAL 35 CO -0.34 0.36 0.00 0.23 0.02 0.00 0.00 177.57 177.84 1cff n MET 36 N -4.23 0.12 -0.12 1.57 2.81 0.25 -1.90 117.12 115.61 1cff n MET 36 Ca 0.04 0.50 -0.25 0.00 -1.81 0.00 0.00 57.70 56.18 1cff n MET 36 Cb 0.27 -1.80 -0.11 0.00 -0.71 0.00 0.00 33.22 30.87 1cff n MET 36 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1cff n ARG 37 N -2.03 0.61 0.16 0.03 0.63 -0.46 0.13 116.66 115.72 1cff n ARG 37 Ca 0.00 0.34 0.12 0.00 -0.92 0.00 0.00 57.85 57.40 1cff n ARG 37 Cb 0.10 -1.59 0.58 0.00 0.45 0.00 0.00 32.46 32.01 1cff n ARG 37 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1cff h SER 38 N -0.78 0.00 0.00 6.15 0.02 -1.11 -0.84 113.55 116.99 1cff h SER 38 Ca -0.56 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1cff h SER 38 Cb 1.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.14 1cff h SER 38 CO -0.28 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.59 1cff n LEU 39 N -2.31 0.32 0.30 5.07 7.99 -0.80 -4.77 117.00 122.80 1cff n LEU 39 Ca -0.00 0.19 0.20 0.00 -0.01 0.00 0.00 56.01 56.39 1cff n LEU 39 Cb 0.11 0.01 1.04 0.00 -0.11 0.00 0.00 43.42 44.46 1cff n LEU 39 CO 0.14 -0.67 1.10 1.23 -1.51 0.00 0.00 177.39 177.68 1cff h GLY 40 N 0.00 0.00 -4.49 -0.72 0.00 -0.95 -3.47 103.07 93.44 1cff h GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cff h GLY 40 CO 0.00 0.00 -0.23 -1.06 0.00 0.00 0.00 176.54 175.25 1cff n GLN 41 N -2.96 -0.67 -1.66 4.80 6.02 0.34 -4.30 117.38 118.95 1cff n GLN 41 Ca -0.02 0.76 -0.01 0.00 -0.01 0.00 0.00 57.00 57.73 1cff n GLN 41 Cb 0.11 -0.61 0.00 0.00 1.02 0.00 0.00 30.24 30.76 1cff n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1cff n ASN 42 N 1.84 -2.18 -4.79 1.08 4.05 -1.26 -4.96 115.26 109.04 1cff n ASN 42 Ca 0.00 -0.03 -0.31 0.00 0.45 0.00 0.00 54.58 54.69 1cff n ASN 42 Cb 0.12 -0.72 0.08 0.00 1.23 0.00 0.00 39.78 40.48 1cff n ASN 42 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1cff s PRO 43 N -3.23 2.50 0.27 1.20 0.04 -1.26 -5.03 135.00 129.50 1cff s PRO 43 Ca 0.02 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 61.85 1cff s PRO 43 Cb -0.00 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1cff s PRO 43 CO 0.03 -1.43 0.83 0.95 0.04 0.00 0.00 177.00 177.42 1cff s THR 44 N -2.99 4.41 0.40 1.26 -4.23 -1.26 -4.94 115.64 108.29 1cff s THR 44 Ca 0.60 1.52 0.19 0.00 -1.18 0.00 0.00 61.69 62.82 1cff s THR 44 Cb -0.16 -3.91 0.40 0.00 1.34 0.00 0.00 72.50 70.17 1cff s THR 44 CO 0.55 0.16 1.77 -0.08 -0.54 0.00 0.00 174.62 176.49 1cff h GLU 45 N 3.25 0.36 0.00 3.99 4.81 -2.02 0.23 114.58 125.20 1cff h GLU 45 Ca -0.47 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.63 1cff h GLU 45 Cb 1.19 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1cff h GLU 45 CO 0.65 0.24 -0.93 0.00 -0.73 0.00 0.00 179.01 178.24 1cff h ALA 46 N 1.61 0.66 0.93 2.92 0.00 -1.99 -3.34 119.26 120.06 1cff h ALA 46 Ca 0.59 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1cff h ALA 46 Cb 1.53 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.42 1cff h ALA 46 CO -0.28 0.57 -0.45 1.49 0.00 0.00 0.00 179.25 180.58 1cff h GLU 47 N 0.00 -1.20 -0.85 0.00 4.81 -0.90 1.30 114.58 117.73 1cff h GLU 47 Ca -0.07 0.08 0.16 0.00 -0.13 0.00 0.00 59.36 59.40 1cff h GLU 47 Cb 1.36 0.27 -0.10 0.00 0.63 0.00 0.00 28.75 30.91 1cff h GLU 47 CO 0.04 -0.80 0.41 -0.07 -0.73 0.00 0.00 179.01 177.86 1cff h LEU 48 N -1.25 0.45 -1.22 1.64 4.07 -1.70 1.53 115.31 118.84 1cff h LEU 48 Ca -0.13 0.11 -0.06 0.00 0.08 0.00 0.00 57.88 57.88 1cff h LEU 48 Cb 0.96 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1cff h LEU 48 CO 0.21 0.16 -0.10 -0.61 -1.08 0.00 0.00 178.44 177.02 1cff h GLN 49 N 0.55 0.41 -0.19 1.13 5.75 -1.59 1.15 115.11 122.33 1cff h GLN 49 Ca 0.48 -0.11 -0.13 0.00 -0.15 0.00 0.00 58.65 58.74 1cff h GLN 49 Cb 0.73 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 1cff h GLN 49 CO -0.40 0.53 -0.42 0.22 -2.65 0.00 0.00 178.83 176.10 1cff h ASP 50 N 0.39 0.48 0.04 -0.69 1.82 1.15 0.58 116.42 120.20 1cff h ASP 50 Ca 0.08 -0.21 -0.12 0.00 -0.39 0.00 0.00 57.03 56.38 1cff h ASP 50 Cb 0.42 -0.13 0.01 0.00 0.68 0.00 0.00 39.33 40.31 1cff h ASP 50 CO 0.02 0.84 -0.50 -0.03 -1.61 0.00 0.00 179.24 177.97 1cff h MET 51 N 0.37 0.26 -0.61 0.28 4.05 0.25 0.58 114.93 120.12 1cff h MET 51 Ca 0.03 -0.34 -0.08 0.00 -0.28 0.00 0.00 59.70 59.03 1cff h MET 51 Cb 0.90 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.78 1cff h MET 51 CO 0.08 1.08 0.08 0.82 0.23 0.00 0.00 176.91 179.20 1cff h ILE 52 N -0.40 1.26 0.00 1.77 1.08 0.14 -2.33 117.51 119.02 1cff h ILE 52 Ca -0.07 -1.02 -0.08 0.00 -0.39 0.00 0.00 64.86 63.30 1cff h ILE 52 Cb 1.29 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.73 1cff h ILE 52 CO 0.10 0.38 -0.40 -1.13 -0.69 0.00 0.00 178.15 176.40 1cff h ASN 53 N 0.94 0.00 -0.24 1.72 -0.73 0.11 -3.18 115.58 114.20 1cff h ASN 53 Ca 0.19 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.22 1cff h ASN 53 Cb 0.43 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.01 1cff h ASN 53 CO 0.01 0.40 -0.34 -0.33 -0.37 0.00 0.00 177.43 176.80 1cff h GLU 54 N 0.00 0.76 -0.92 6.67 5.08 -0.41 -2.93 114.58 122.83 1cff h GLU 54 Ca -0.00 -0.37 -0.39 0.00 -1.00 0.00 0.00 59.36 57.59 1cff h GLU 54 Cb 1.24 -0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.25 1cff h GLU 54 CO 0.05 0.99 0.50 1.55 -1.00 0.00 0.00 179.01 181.10 1cff n VAL 55 N -4.06 3.01 -1.21 3.13 3.14 -0.92 -4.59 118.33 116.83 1cff n VAL 55 Ca -0.01 -1.72 -0.25 0.00 -2.96 0.00 0.00 64.34 59.40 1cff n VAL 55 Cb 0.50 -0.46 0.02 0.00 -1.06 0.00 0.00 33.84 32.85 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1cff n ASP 56 N -0.73 6.81 -0.22 6.55 8.00 -1.11 -4.49 116.55 131.36 1cff n ASP 56 Ca 0.51 -3.31 -0.02 0.00 0.71 0.00 0.00 54.79 52.68 1cff n ASP 56 Cb 1.53 -1.09 0.04 0.00 -0.02 0.00 0.00 41.12 41.58 1cff n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cff h ALA 57 N 2.07 0.20 0.00 2.24 0.00 -1.86 0.45 119.26 122.36 1cff h ALA 57 Ca 0.40 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.41 1cff h ALA 57 Cb 0.78 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1cff h ALA 57 CO 1.01 -0.55 -0.78 0.38 0.00 0.00 0.00 179.25 179.31 1cff h ASP 58 N -0.09 0.00 -6.92 0.00 3.04 -1.96 -3.48 116.42 107.02 1cff h ASP 58 Ca 0.28 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.59 1cff h ASP 58 Cb 0.53 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.81 1cff h ASP 58 CO -0.70 0.52 -0.87 0.61 -2.04 0.00 0.00 179.24 176.77 1cff n GLY 59 N 1.27 -0.79 0.06 7.15 0.00 0.16 -4.86 105.19 108.18 1cff n GLY 59 Ca -0.01 0.33 -0.01 0.00 0.00 0.00 0.00 46.02 46.32 1cff n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cff n ASN 60 N -1.73 0.19 0.00 1.61 6.94 -1.26 -4.98 115.26 116.03 1cff n ASN 60 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.42 1cff n ASN 60 Cb 0.49 1.38 0.00 0.00 -2.36 0.00 0.00 39.78 39.29 1cff n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cff n GLY 61 N 1.60 -0.27 1.97 4.83 0.00 -1.26 -5.17 105.19 106.89 1cff n GLY 61 Ca -0.21 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1cff n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cff n THR 62 N 0.00 0.00 -1.70 2.61 -2.24 -1.26 -5.09 114.28 106.61 1cff n THR 62 Ca 0.00 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 1cff n THR 62 Cb 0.00 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1cff n THR 62 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1cff n ILE 63 N -0.28 0.19 -4.18 2.28 2.08 -0.29 -4.90 119.36 114.25 1cff n ILE 63 Ca -0.04 -0.03 -0.17 0.00 0.56 0.00 0.00 62.75 63.06 1cff n ILE 63 Cb 0.31 -1.98 -0.11 0.00 -0.75 0.00 0.00 39.64 37.11 1cff n ILE 63 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1cff s ASP 64 N 1.95 1.65 0.32 4.38 2.15 -1.26 -2.67 116.67 123.18 1cff s ASP 64 Ca 0.79 -0.71 0.13 0.00 0.43 0.00 0.00 52.55 53.20 1cff s ASP 64 Cb -0.53 -0.03 1.06 0.00 -0.30 0.00 0.00 42.92 43.12 1cff s ASP 64 CO 0.36 -0.15 1.44 0.33 -0.17 0.00 0.00 175.17 176.98 1cff n PHE 65 N 0.93 0.91 0.09 -5.34 7.35 -1.26 -1.38 117.46 118.76 1cff n PHE 65 Ca -0.19 1.08 -0.04 0.00 -0.76 0.00 0.00 57.45 57.55 1cff n PHE 65 Cb 0.56 -1.39 -0.02 0.00 0.35 0.00 0.00 39.48 38.98 1cff n PHE 65 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1cff h PRO 66 N 0.00 -0.26 -0.94 -7.13 0.11 -1.98 -1.12 132.00 120.68 1cff h PRO 66 Ca 0.70 0.02 0.19 0.00 0.11 0.00 0.00 66.00 67.02 1cff h PRO 66 Cb 1.75 0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.81 1cff h PRO 66 CO -0.75 -0.17 0.52 1.05 -0.21 0.00 0.00 178.00 178.43 1cff h GLU 67 N -0.57 0.62 0.00 1.05 4.11 -1.76 0.45 114.58 118.49 1cff h GLU 67 Ca -0.03 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.24 1cff h GLU 67 Cb 0.21 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1cff h GLU 67 CO 0.05 0.41 -0.58 0.35 0.07 0.00 0.00 179.01 179.31 1cff h PHE 68 N 0.64 0.00 0.45 2.06 3.04 -1.34 -2.34 116.94 119.45 1cff h PHE 68 Ca 0.55 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.48 1cff h PHE 68 Cb 0.89 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.41 1cff h PHE 68 CO -0.05 0.58 -0.22 1.25 -2.02 0.00 0.00 178.31 177.85 1cff h LEU 69 N 0.00 -0.52 0.14 0.59 5.85 0.12 -2.12 115.31 119.37 1cff h LEU 69 Ca -0.01 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1cff h LEU 69 Cb 1.08 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 1cff h LEU 69 CO 0.08 -0.25 -0.25 0.71 -0.34 0.00 0.00 178.44 178.38 1cff h THR 70 N -0.84 0.46 -0.87 1.05 1.35 -1.16 -2.26 112.91 110.63 1cff h THR 70 Ca -0.06 0.00 0.21 0.00 -0.55 0.00 0.00 66.41 66.00 1cff h THR 70 Cb 0.47 0.46 -0.12 0.00 -1.73 0.00 0.00 68.15 67.22 1cff h THR 70 CO 0.10 0.00 0.37 -0.03 -0.25 0.00 0.00 175.52 175.71 1cff h MET 71 N -0.47 0.39 -0.91 4.72 1.85 -1.53 0.93 114.93 119.91 1cff h MET 71 Ca 0.02 -0.02 0.08 0.00 -0.61 0.00 0.00 59.70 59.17 1cff h MET 71 Cb 0.48 -0.09 -0.07 0.00 0.43 0.00 0.00 31.60 32.35 1cff h MET 71 CO -0.13 0.26 0.57 1.98 -0.40 0.00 0.00 176.91 179.19 1cff h MET 72 N 0.40 0.96 0.00 0.39 -1.53 -0.78 -3.29 114.93 111.08 1cff h MET 72 Ca 0.53 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.74 1cff h MET 72 Cb 0.98 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 31.82 1cff h MET 72 CO -0.52 0.64 -0.25 0.00 0.14 0.00 0.00 176.91 176.92 1cff h ALA 73 N 1.45 0.00 -3.04 0.39 0.00 -0.36 -3.45 119.26 114.24 1cff h ALA 73 Ca 0.41 -0.29 -0.56 0.00 0.00 0.00 0.00 54.91 54.47 1cff h ALA 73 Cb 0.26 0.25 0.16 0.00 0.00 0.00 0.00 17.79 18.46 1cff h ALA 73 CO -0.20 0.25 0.47 -2.13 0.00 0.00 0.00 179.25 177.64 1cff n ARG 74 N -4.06 1.20 -3.55 0.00 0.63 0.29 -3.60 116.66 107.55 1cff n ARG 74 Ca -0.04 0.46 -0.24 0.00 -0.92 0.00 0.00 57.85 57.12 1cff n ARG 74 Cb 0.13 -2.48 0.03 0.00 0.45 0.00 0.00 32.46 30.59 1cff n ARG 74 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1cff n LYS 75 N -1.58 -1.36 0.00 -0.14 4.81 -1.26 -4.64 118.16 114.00 1cff n LYS 75 Ca 0.14 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1cff n LYS 75 Cb 0.47 -4.27 0.00 0.00 0.02 0.00 0.00 35.03 31.25 1cff n LYS 75 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1cff n MET 76 N -3.46 0.43 -2.68 1.64 1.56 -1.24 -5.00 117.12 108.37 1cff n MET 76 Ca -0.11 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.26 1cff n MET 76 Cb 0.59 -0.63 0.02 0.00 2.15 0.00 0.00 33.22 35.36 1cff n MET 76 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1cff n LYS 77 N -1.38 -2.12 -4.23 2.12 4.76 -1.26 -5.05 118.16 110.99 1cff n LYS 77 Ca 0.00 0.23 -0.23 0.00 -2.87 0.00 0.00 58.31 55.45 1cff n LYS 77 Cb 0.13 -3.45 -0.17 0.00 -1.84 0.00 0.00 35.03 29.70 1cff n LYS 77 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1cff s ASP 78 N -3.18 1.45 -0.09 4.39 -4.77 -1.26 -4.80 116.67 108.41 1cff s ASP 78 Ca 0.11 -0.21 -0.00 0.00 -3.30 0.00 0.00 52.55 49.15 1cff s ASP 78 Cb -0.05 -0.63 0.00 0.00 -1.09 0.00 0.00 42.92 41.15 1cff s ASP 78 CO 0.20 -0.05 0.08 0.35 0.70 0.00 0.00 175.17 176.46 1cff n THR 79 N 4.19 -0.31 -1.63 2.11 -2.24 -1.26 -5.06 114.28 110.08 1cff n THR 79 Ca -0.21 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 1cff n THR 79 Cb 0.51 -2.12 0.18 0.00 -2.10 0.00 0.00 70.33 66.80 1cff n THR 79 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1cff s ASP 80 N -3.06 2.72 0.00 3.42 -4.77 -1.26 -5.03 116.67 108.70 1cff s ASP 80 Ca 0.02 0.54 0.00 0.00 -3.30 0.00 0.00 52.55 49.81 1cff s ASP 80 Cb -0.01 -0.78 0.00 0.00 -1.09 0.00 0.00 42.92 41.04 1cff s ASP 80 CO 0.05 -3.00 0.00 -0.24 0.70 0.00 0.00 175.17 172.68 1cff n SER 81 N -3.99 0.00 -4.34 2.11 2.88 -1.26 -5.11 113.62 103.91 1cff n SER 81 Ca 0.12 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.30 1cff n SER 81 Cb 0.60 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.11 1cff n SER 81 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1cff n GLU 82 N -1.95 0.17 0.00 -1.46 4.71 -1.26 -4.92 120.64 115.94 1cff n GLU 82 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 1cff n GLU 82 Cb 0.00 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 28.94 1cff n GLU 82 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1cff n GLU 83 N 0.31 0.00 -0.11 3.49 1.02 -1.26 -4.94 120.64 119.15 1cff n GLU 83 Ca 0.08 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.07 1cff n GLU 83 Cb 0.50 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.79 1cff n GLU 83 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1cff n GLU 84 N -2.16 0.68 0.21 3.49 0.28 -1.26 -4.17 120.64 117.72 1cff n GLU 84 Ca 0.00 0.08 0.15 0.00 -0.16 0.00 0.00 57.16 57.23 1cff n GLU 84 Cb 0.00 -1.51 0.73 0.00 1.43 0.00 0.00 31.44 32.08 1cff n GLU 84 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1cff h ILE 85 N 0.00 0.00 -1.09 3.84 5.03 -1.97 -2.76 117.51 120.56 1cff h ILE 85 Ca -0.56 -0.13 0.31 0.00 -0.12 0.00 0.00 64.86 64.36 1cff h ILE 85 Cb 2.04 0.87 -0.04 0.00 -3.03 0.00 0.00 36.82 36.66 1cff h ILE 85 CO -0.04 0.00 0.96 -0.09 -0.68 0.00 0.00 178.15 178.30 1cff h ARG 86 N 0.00 0.00 0.03 2.37 2.43 -1.93 1.68 114.38 118.97 1cff h ARG 86 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cff h ARG 86 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1cff h ARG 86 CO 0.00 0.00 -0.02 0.93 -1.51 0.00 0.00 179.97 179.37 1cff h GLU 87 N 0.00 -0.04 -0.12 0.20 3.07 -1.80 -2.57 114.58 113.32 1cff h GLU 87 Ca 0.52 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.37 1cff h GLU 87 Cb 2.42 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 30.33 1cff h GLU 87 CO -0.01 0.41 0.04 0.00 -1.40 0.00 0.00 179.01 178.06 1cff h ALA 88 N -0.52 1.85 -0.59 3.43 0.00 -0.90 0.32 119.26 122.84 1cff h ALA 88 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1cff h ALA 88 Cb 0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1cff h ALA 88 CO 0.01 0.12 0.28 0.35 0.00 0.00 0.00 179.25 180.02 1cff h PHE 89 N 0.17 0.86 0.01 0.00 3.57 0.23 0.49 116.94 122.26 1cff h PHE 89 Ca 0.04 -0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 1cff h PHE 89 Cb 0.05 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 1cff h PHE 89 CO 0.00 0.66 -0.93 0.00 -2.23 0.00 0.00 178.31 175.81 1cff h ARG 90 N 0.81 0.02 -0.74 1.11 3.08 -0.85 -1.22 114.38 116.59 1cff h ARG 90 Ca 0.20 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1cff h ARG 90 Cb 0.12 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1cff h ARG 90 CO -0.03 0.93 0.35 0.28 -1.07 0.00 0.00 179.97 180.43 1cff h VAL 91 N 0.01 1.24 -0.01 2.04 2.07 0.15 -2.52 116.25 119.23 1cff h VAL 91 Ca -0.02 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1cff h VAL 91 Cb 1.63 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1cff h VAL 91 CO 0.12 0.29 -0.24 0.49 0.02 0.00 0.00 177.57 178.25 1cff n PHE 92 N -4.39 0.00 0.04 1.57 3.72 0.17 -4.05 117.46 114.51 1cff n PHE 92 Ca 0.06 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.40 1cff n PHE 92 Cb 0.14 -0.08 -0.11 0.00 -0.94 0.00 0.00 39.48 38.49 1cff n PHE 92 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1cff h ASP 93 N 1.74 0.00 -4.18 4.37 1.82 -0.77 -3.42 116.42 115.98 1cff h ASP 93 Ca 0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 1cff h ASP 93 Cb 0.57 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.51 1cff h ASP 93 CO 0.00 0.93 -0.17 1.17 -1.61 0.00 0.00 179.24 179.57 1cff n LYS 94 N -3.22 -1.88 0.00 0.28 0.00 -1.16 -3.24 118.16 108.95 1cff n LYS 94 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 58.31 58.28 1cff n LYS 94 Cb 0.95 -2.94 0.00 0.00 0.00 0.00 0.00 35.03 33.04 1cff n LYS 94 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 95 N -1.06 0.00 0.00 3.14 5.68 -1.26 -4.83 116.55 118.22 1cff n ASP 95 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 1cff n ASP 95 Cb 0.31 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1cff n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 96 N 0.00 0.76 0.88 6.12 0.00 -1.20 -5.08 105.19 106.67 1cff n GLY 96 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 1cff n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cff n ASN 97 N 0.00 0.52 0.00 1.61 5.03 -1.26 -5.05 115.26 116.10 1cff n ASN 97 Ca 0.00 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.53 1cff n ASN 97 Cb 0.00 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1cff n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cff n GLY 98 N 2.85 0.85 3.09 7.41 0.00 -1.26 -5.12 105.19 112.99 1cff n GLY 98 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1cff n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cff s TYR 99 N -1.72 0.77 -0.76 1.61 2.02 -1.26 -3.84 117.35 114.17 1cff s TYR 99 Ca 0.00 -0.52 -0.02 0.00 -0.37 0.00 0.00 57.07 56.16 1cff s TYR 99 Cb 0.00 -0.45 0.19 0.00 -0.40 0.00 0.00 41.96 41.30 1cff s TYR 99 CO 0.00 -0.07 0.61 0.42 -1.57 0.00 0.00 175.55 174.94 1cff s ILE 100 N -1.50 4.02 0.08 2.71 1.01 -1.12 -4.87 121.20 121.53 1cff s ILE 100 Ca -0.07 -3.43 -0.31 0.00 0.00 0.00 0.00 60.65 56.83 1cff s ILE 100 Cb -0.09 -3.56 -0.18 0.00 0.01 0.00 0.00 42.46 38.65 1cff s ILE 100 CO 0.00 -0.98 1.64 -1.28 0.00 0.00 0.00 174.94 174.32 1cff h SER 101 N 6.50 -0.70 0.00 3.58 0.87 -1.92 -3.36 113.55 118.53 1cff h SER 101 Ca 0.08 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1cff h SER 101 Cb 0.88 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1cff h SER 101 CO 0.78 -0.48 0.00 0.00 -0.53 0.00 0.00 176.83 176.60 1cff n ALA 102 N -2.46 0.00 -0.03 6.23 0.00 -1.26 -4.78 120.51 118.21 1cff n ALA 102 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 1cff n ALA 102 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 1cff n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cff h ALA 103 N 0.00 -0.53 -0.97 0.00 0.00 -1.97 0.81 119.26 116.61 1cff h ALA 103 Ca 0.00 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.18 1cff h ALA 103 Cb 0.00 0.80 -0.14 0.00 0.00 0.00 0.00 17.79 18.45 1cff h ALA 103 CO 0.00 -0.61 0.49 1.05 0.00 0.00 0.00 179.25 180.18 1cff h GLU 104 N -0.17 0.33 0.24 0.00 4.11 -1.86 0.20 114.58 117.43 1cff h GLU 104 Ca 0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1cff h GLU 104 Cb 0.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1cff h GLU 104 CO -0.19 0.22 -0.12 -0.07 0.07 0.00 0.00 179.01 178.92 1cff h LEU 105 N 0.34 -0.28 -0.37 3.06 -0.00 -1.25 -0.65 115.31 116.16 1cff h LEU 105 Ca 0.67 -0.13 0.08 0.00 -0.00 0.00 0.00 57.88 58.49 1cff h LEU 105 Cb 1.44 0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 42.10 1cff h LEU 105 CO -0.59 -0.02 -0.11 0.03 -0.00 0.00 0.00 178.44 177.74 1cff h ARG 106 N -0.53 -0.03 0.26 1.13 3.08 0.35 1.36 114.38 119.99 1cff h ARG 106 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1cff h ARG 106 Cb 0.39 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1cff h ARG 106 CO 0.05 -0.02 -0.12 1.25 -1.07 0.00 0.00 179.97 180.06 1cff h HIS 107 N -0.03 -0.32 -0.01 3.04 2.76 -0.97 -2.21 115.15 117.41 1cff h HIS 107 Ca 0.18 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1cff h HIS 107 Cb 0.30 0.11 0.01 0.00 1.55 0.00 0.00 27.41 29.38 1cff h HIS 107 CO -0.35 -0.02 -0.34 -0.39 -1.30 0.00 0.00 177.93 175.53 1cff h VAL 108 N -0.62 1.51 0.00 5.26 -1.51 -0.97 -2.78 116.25 117.14 1cff h VAL 108 Ca -0.04 -1.95 0.00 0.00 -1.23 0.00 0.00 66.70 63.48 1cff h VAL 108 Cb 0.45 2.69 0.00 0.00 -2.13 0.00 0.00 31.29 32.29 1cff h VAL 108 CO 0.06 0.54 0.00 -0.03 -1.23 0.00 0.00 177.57 176.91 1cff h MET 109 N -0.38 0.00 0.09 5.19 -1.53 0.17 0.46 114.93 118.92 1cff h MET 109 Ca -0.04 0.00 -0.34 0.00 -3.44 0.00 0.00 59.70 55.88 1cff h MET 109 Cb 1.07 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 32.10 1cff h MET 109 CO 0.07 0.00 -1.85 0.00 0.14 0.00 0.00 176.91 175.27 1cff h THR 110 N 0.00 0.76 0.00 -0.77 1.03 -1.46 -3.33 112.91 109.14 1cff h THR 110 Ca 0.00 -2.51 -0.06 0.00 -0.01 0.00 0.00 66.41 63.84 1cff h THR 110 Cb 0.35 2.52 -0.01 0.00 -1.07 0.00 0.00 68.15 69.94 1cff h THR 110 CO 0.00 0.77 -0.27 0.78 -0.01 0.00 0.00 175.52 176.79 1cff h ASN 111 N 0.05 0.00 -0.50 0.00 4.21 -1.19 -3.09 115.58 115.05 1cff h ASN 111 Ca -0.36 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.05 1cff h ASN 111 Cb 2.03 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 39.21 1cff h ASN 111 CO 0.10 0.27 -0.05 0.25 -1.29 0.00 0.00 177.43 176.71 1cff h LEU 112 N 0.00 0.95 0.00 1.61 5.85 -1.02 -3.47 115.31 119.22 1cff h LEU 112 Ca -0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1cff h LEU 112 Cb 0.89 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1cff h LEU 112 CO 0.03 1.03 0.00 0.61 -0.34 0.00 0.00 178.44 179.78 1cff n GLY 113 N -0.42 -2.07 0.00 3.75 0.00 -1.17 -5.11 105.19 100.18 1cff n GLY 113 Ca 0.02 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1cff n GLY 113 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cff n GLU 114 N -1.73 1.21 -3.05 1.61 0.28 -1.25 -4.97 120.64 112.73 1cff n GLU 114 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 1cff n GLU 114 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1cff n GLU 114 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1cff n LYS 115 N 0.00 0.58 -2.07 3.44 4.81 -1.26 -4.11 118.16 119.55 1cff n LYS 115 Ca 0.00 -2.64 -0.35 0.00 -0.87 0.00 0.00 58.31 54.45 1cff n LYS 115 Cb 0.00 -1.43 -0.04 0.00 0.02 0.00 0.00 35.03 33.59 1cff n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1cff s LEU 116 N -0.43 3.25 1.00 3.14 1.43 -1.26 -4.96 118.68 120.85 1cff s LEU 116 Ca 0.33 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.27 1cff s LEU 116 Cb 0.13 -2.54 0.05 0.00 0.03 0.00 0.00 46.19 43.86 1cff s LEU 116 CO -0.16 -2.45 0.26 0.35 0.23 0.00 0.00 176.35 174.58 1cff n THR 117 N 7.37 0.00 0.30 5.49 -2.24 -1.26 -4.22 114.28 119.72 1cff n THR 117 Ca 0.26 -0.23 0.19 0.00 -2.27 0.00 0.00 64.05 62.00 1cff n THR 117 Cb 0.50 -0.60 1.00 0.00 -2.10 0.00 0.00 70.33 69.13 1cff n THR 117 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1cff h ASP 118 N -1.69 0.00 0.17 3.42 1.82 -1.96 0.45 116.42 118.63 1cff h ASP 118 Ca -0.46 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.17 1cff h ASP 118 Cb 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.32 1cff h ASP 118 CO 0.35 0.00 -0.08 -0.33 -1.61 0.00 0.00 179.24 177.57 1cff h GLU 119 N 0.00 -0.22 -0.38 0.28 5.08 -1.99 -2.69 114.58 114.65 1cff h GLU 119 Ca 0.02 0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1cff h GLU 119 Cb 0.29 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1cff h GLU 119 CO -0.00 -0.15 -0.36 1.05 -1.00 0.00 0.00 179.01 178.55 1cff h GLU 120 N -1.04 0.92 -0.49 2.33 4.11 -1.81 -2.73 114.58 115.87 1cff h GLU 120 Ca -0.02 -0.48 -0.05 0.00 0.07 0.00 0.00 59.36 58.88 1cff h GLU 120 Cb 0.18 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1cff h GLU 120 CO 0.04 1.13 0.10 -0.24 0.07 0.00 0.00 179.01 180.12 1cff h VAL 121 N 0.74 1.22 -0.03 -1.06 3.04 -0.28 0.20 116.25 120.08 1cff h VAL 121 Ca 0.06 -0.79 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 1cff h VAL 121 Cb 0.95 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1cff h VAL 121 CO 0.09 0.29 -0.00 -0.78 -1.01 0.00 0.00 177.57 176.16 1cff h ASP 122 N 0.73 0.05 -0.48 3.17 3.58 -1.42 -2.01 116.42 120.04 1cff h ASP 122 Ca 0.16 -0.34 -0.03 0.00 0.42 0.00 0.00 57.03 57.24 1cff h ASP 122 Cb 0.29 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 1cff h ASP 122 CO 0.00 0.38 0.18 -0.33 -2.88 0.00 0.00 179.24 176.59 1cff h GLU 123 N -0.27 0.73 -0.50 0.28 5.08 -1.31 -0.63 114.58 117.96 1cff h GLU 123 Ca 0.01 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1cff h GLU 123 Cb 0.35 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 1cff h GLU 123 CO 0.00 0.67 0.03 1.98 -1.00 0.00 0.00 179.01 180.70 1cff h MET 124 N 0.64 0.15 0.00 2.33 4.05 -0.55 0.77 114.93 122.32 1cff h MET 124 Ca 0.16 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.52 1cff h MET 124 Cb 0.22 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1cff h MET 124 CO -0.01 0.10 -0.22 0.82 0.23 0.00 0.00 176.91 177.83 1cff h ILE 125 N 0.15 0.87 0.10 1.77 1.08 -1.07 0.77 117.51 121.18 1cff h ILE 125 Ca 0.25 -0.84 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1cff h ILE 125 Cb 0.37 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 1cff h ILE 125 CO -0.39 0.21 -0.05 0.03 -0.69 0.00 0.00 178.15 177.27 1cff h ARG 126 N 0.00 -0.13 -0.06 2.37 -0.00 0.15 0.34 114.38 117.05 1cff h ARG 126 Ca -0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.48 1cff h ARG 126 Cb 0.48 0.03 -0.00 0.00 0.00 0.00 0.00 29.97 30.47 1cff h ARG 126 CO 0.03 0.33 -0.00 0.93 0.00 0.00 0.00 179.97 181.26 1cff h GLU 127 N -0.67 0.08 -0.09 0.04 4.39 0.54 -0.43 114.58 118.43 1cff h GLU 127 Ca -0.01 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 1cff h GLU 127 Cb 0.53 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1cff h GLU 127 CO 0.02 0.10 -0.74 0.00 -1.16 0.00 0.00 179.01 177.23 1cff h ALA 128 N 1.92 0.54 -1.51 3.43 0.00 -0.67 -3.42 119.26 119.55 1cff h ALA 128 Ca 0.02 -0.61 -0.54 0.00 0.00 0.00 0.00 54.91 53.79 1cff h ALA 128 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1cff h ALA 128 CO 0.00 0.75 1.57 -3.47 0.00 0.00 0.00 179.25 178.10 1cff n ASP 129 N -3.86 2.41 0.00 0.00 2.03 0.12 -4.89 116.55 112.36 1cff n ASP 129 Ca -0.05 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1cff n ASP 129 Cb 0.71 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1cff n ASP 129 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1cff n ILE 130 N 7.77 0.00 -0.32 5.18 -0.00 -1.26 -3.83 119.36 126.90 1cff n ILE 130 Ca 0.38 0.57 0.18 0.00 -0.00 0.00 0.00 62.75 63.87 1cff n ILE 130 Cb 0.43 -1.36 0.38 0.00 -0.00 0.00 0.00 39.64 39.08 1cff n ILE 130 CO 0.00 0.00 0.00 -2.24 -0.00 0.00 0.00 176.55 174.31 1cff h ASP 131 N 0.00 0.34 -3.36 4.38 3.04 -1.96 -3.46 116.42 115.41 1cff h ASP 131 Ca 0.00 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.97 1cff h ASP 131 Cb 0.00 0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.45 1cff h ASP 131 CO 0.00 -0.09 -0.01 0.61 -2.04 0.00 0.00 179.24 177.72 1cff n GLY 132 N -1.33 -0.47 0.06 7.15 0.00 -1.25 -5.00 105.19 104.36 1cff n GLY 132 Ca 0.26 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1cff n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cff n ASP 133 N -1.07 0.27 0.00 1.61 8.00 -1.26 -4.95 116.55 119.15 1cff n ASP 133 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1cff n ASP 133 Cb 0.47 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.79 1cff n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cff n GLY 134 N 1.40 0.77 3.57 0.44 0.00 -1.26 -5.12 105.19 104.98 1cff n GLY 134 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1cff n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cff s GLN 135 N 0.00 2.03 -0.40 1.61 0.74 -1.26 -5.00 119.66 117.38 1cff s GLN 135 Ca 0.00 -1.71 -0.20 0.00 0.05 0.00 0.00 55.36 53.50 1cff s GLN 135 Cb 0.00 0.49 0.01 0.00 1.10 0.00 0.00 33.01 34.61 1cff s GLN 135 CO 0.00 -0.87 0.62 0.08 -0.55 0.00 0.00 175.29 174.57 1cff s VAL 136 N -2.79 4.88 -0.23 1.34 1.01 -1.26 -4.79 120.40 118.56 1cff s VAL 136 Ca 0.27 0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.38 1cff s VAL 136 Cb -0.02 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1cff s VAL 136 CO 0.19 -0.45 0.36 0.21 0.00 0.00 0.00 175.10 175.41 1cff s ASN 137 N 1.90 6.33 0.52 3.32 3.84 -1.26 -2.77 114.94 126.82 1cff s ASN 137 Ca 0.22 0.39 0.46 0.00 0.21 0.00 0.00 52.86 54.14 1cff s ASN 137 Cb -0.14 -2.21 1.65 0.00 -0.55 0.00 0.00 41.25 39.99 1cff s ASN 137 CO 0.17 -0.10 1.52 0.00 -2.79 0.00 0.00 177.10 175.90 1cff n TYR 138 N 4.77 0.14 -0.22 0.43 9.36 -1.25 0.18 117.16 130.57 1cff n TYR 138 Ca -0.09 0.14 0.21 0.00 3.32 0.00 0.00 57.90 61.48 1cff n TYR 138 Cb 0.51 -0.62 0.56 0.00 -0.63 0.00 0.00 39.34 39.17 1cff n TYR 138 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1cff h GLU 139 N 0.00 0.30 0.00 2.98 -0.00 -1.92 0.17 114.58 116.10 1cff h GLU 139 Ca 0.91 -0.02 -0.07 0.00 -0.00 0.00 0.00 59.36 60.18 1cff h GLU 139 Cb 3.51 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 32.18 1cff h GLU 139 CO -0.10 0.20 -0.36 0.93 -0.00 0.00 0.00 179.01 179.67 1cff h GLU 140 N 0.30 0.00 -0.98 1.06 5.08 0.15 -2.15 114.58 118.03 1cff h GLU 140 Ca 0.45 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.97 1cff h GLU 140 Cb 1.26 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.35 1cff h GLU 140 CO -0.13 0.95 -0.36 0.34 -1.00 0.00 0.00 179.01 178.81 1cff n PHE 141 N -4.57 0.10 0.03 4.33 -0.00 -0.29 0.12 117.46 117.18 1cff n PHE 141 Ca -0.16 1.21 -0.20 0.00 -0.00 0.00 0.00 57.45 58.30 1cff n PHE 141 Cb 0.52 -0.91 -0.10 0.00 -0.00 0.00 0.00 39.48 38.99 1cff n PHE 141 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 1cff h VAL 142 N 0.00 1.29 -0.21 -2.13 -1.51 -0.88 -2.88 116.25 109.92 1cff h VAL 142 Ca 0.37 -2.19 0.06 0.00 -1.23 0.00 0.00 66.70 63.71 1cff h VAL 142 Cb 0.62 2.33 -0.01 0.00 -2.13 0.00 0.00 31.29 32.10 1cff h VAL 142 CO -0.98 0.68 0.16 1.56 -1.23 0.00 0.00 177.57 177.75 1cff h GLN 143 N 0.39 0.00 0.12 5.19 4.20 0.06 1.44 115.11 126.51 1cff h GLN 143 Ca -0.11 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1cff h GLN 143 Cb 1.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.41 1cff h GLN 143 CO 0.19 0.00 -0.06 0.52 -0.67 0.00 0.00 178.83 178.82 1cff h MET 144 N 0.00 -0.15 0.05 1.46 2.86 0.93 -2.49 114.93 117.59 1cff h MET 144 Ca 0.10 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1cff h MET 144 Cb 0.42 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1cff h MET 144 CO -0.00 0.30 -0.02 0.52 1.06 0.00 0.00 176.91 178.76 1cff h MET 145 N -0.91 -0.06 0.32 1.72 2.86 -1.24 -3.40 114.93 114.23 1cff h MET 145 Ca -0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1cff h MET 145 Cb 0.52 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1cff h MET 145 CO 0.03 -0.04 -0.16 1.79 1.06 0.00 0.00 176.91 179.59 1cff h THR 146 N -0.82 0.64 -2.17 2.22 1.35 0.15 -3.49 112.91 110.79 1cff h THR 146 Ca -0.01 -0.63 0.23 0.00 -0.55 0.00 0.00 66.41 65.45 1cff h THR 146 Cb 0.05 0.94 -0.06 0.00 -1.73 0.00 0.00 68.15 67.35 1cff h THR 146 CO 0.01 0.11 -0.31 0.00 -0.25 0.00 0.00 175.52 175.09 1cff n ALA 147 N -2.51 -2.20 0.80 6.62 0.00 0.96 -4.95 120.51 119.23 1cff n ALA 147 Ca -0.09 0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.71 1cff n ALA 147 Cb 0.27 -0.76 0.08 0.00 0.00 0.00 0.00 19.45 19.04 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13