#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 -4.02 0.00 2.03 -1.26 -4.49 116.55 108.81 1cff n ASP 2 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1cff n ASP 2 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 1cff n ASP 2 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1cff s GLN 3 N 0.00 1.57 0.27 -0.67 0.74 -1.26 -4.99 119.66 115.33 1cff s GLN 3 Ca 0.00 -1.95 0.00 0.00 0.05 0.00 0.00 55.36 53.46 1cff s GLN 3 Cb 0.00 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.86 1cff s GLN 3 CO 0.00 -0.97 0.00 -0.11 -0.55 0.00 0.00 175.29 173.66 1cff n LEU 4 N 4.16 -5.78 -4.77 3.68 -0.00 -1.26 -4.88 117.00 108.15 1cff n LEU 4 Ca 0.04 2.87 -0.39 0.00 -0.00 0.00 0.00 56.01 58.53 1cff n LEU 4 Cb 0.41 -2.74 -0.01 0.00 -0.00 0.00 0.00 43.42 41.08 1cff n LEU 4 CO 0.24 -0.95 0.90 0.42 -0.00 0.00 0.00 177.39 177.99 1cff s THR 5 N -1.31 2.89 -0.64 1.96 -4.23 -1.26 -4.87 115.64 108.18 1cff s THR 5 Ca 0.00 0.77 0.23 0.00 -1.18 0.00 0.00 61.69 61.51 1cff s THR 5 Cb 0.00 -3.44 -0.05 0.00 1.34 0.00 0.00 72.50 70.35 1cff s THR 5 CO 0.00 0.09 1.16 -0.62 -0.54 0.00 0.00 174.62 174.71 1cff n GLU 6 N 0.09 0.27 0.09 3.99 1.02 -1.26 -3.80 120.64 121.04 1cff n GLU 6 Ca 0.04 0.03 -0.04 0.00 -0.02 0.00 0.00 57.16 57.17 1cff n GLU 6 Cb 0.45 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.23 1cff n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1cff h GLU 7 N 0.00 -0.25 0.17 3.49 4.22 -1.98 -2.22 114.58 118.01 1cff h GLU 7 Ca 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1cff h GLU 7 Cb 0.72 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1cff h GLU 7 CO 0.00 -0.17 -0.08 -0.56 -2.18 0.00 0.00 179.01 176.02 1cff h GLN 8 N -0.51 -0.22 -0.71 1.92 3.07 -2.01 -2.97 115.11 113.68 1cff h GLN 8 Ca -0.03 0.02 0.15 0.00 0.09 0.00 0.00 58.65 58.88 1cff h GLN 8 Cb 0.20 0.05 -0.10 0.00 0.08 0.00 0.00 27.48 27.71 1cff h GLN 8 CO 0.04 0.05 0.18 0.97 0.09 0.00 0.00 178.83 180.16 1cff h ILE 9 N -0.48 0.55 -1.08 1.86 2.10 -1.75 0.59 117.51 119.31 1cff h ILE 9 Ca -0.02 -0.10 0.31 0.00 1.08 0.00 0.00 64.86 66.13 1cff h ILE 9 Cb 0.37 0.24 -0.12 0.00 -1.09 0.00 0.00 36.82 36.22 1cff h ILE 9 CO 0.04 0.05 0.66 0.00 -1.08 0.00 0.00 178.15 177.82 1cff h ALA 10 N 1.58 2.17 -0.49 0.18 0.00 -1.24 1.61 119.26 123.08 1cff h ALA 10 Ca 0.40 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.48 1cff h ALA 10 Cb 0.65 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1cff h ALA 10 CO -0.48 -0.69 0.22 0.93 0.00 0.00 0.00 179.25 179.23 1cff h GLU 11 N 0.34 0.43 -0.43 0.00 4.39 0.26 1.36 114.58 120.93 1cff h GLU 11 Ca 0.69 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.39 1cff h GLU 11 Cb 1.72 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.25 1cff h GLU 11 CO -0.45 0.28 0.29 0.35 -1.16 0.00 0.00 179.01 178.32 1cff h PHE 12 N 0.44 0.47 -0.55 4.33 3.57 0.24 0.69 116.94 126.12 1cff h PHE 12 Ca 0.22 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.62 1cff h PHE 12 Cb 0.16 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1cff h PHE 12 CO -0.12 0.28 -0.09 -0.22 -2.23 0.00 0.00 178.31 175.93 1cff h LYS 13 N 0.49 1.04 -1.00 1.11 3.64 0.28 -0.80 116.57 121.33 1cff h LYS 13 Ca 0.17 -0.38 0.22 0.00 -1.27 0.00 0.00 60.65 59.39 1cff h LYS 13 Cb 0.08 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 31.73 1cff h LYS 13 CO -0.04 1.07 0.62 0.93 -2.27 0.00 0.00 179.45 179.76 1cff h GLU 14 N 0.92 0.57 0.00 1.90 5.08 0.38 0.88 114.58 124.32 1cff h GLU 14 Ca 0.15 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1cff h GLU 14 Cb 0.66 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1cff h GLU 14 CO 0.05 0.38 -0.06 0.00 -1.00 0.00 0.00 179.01 178.38 1cff h ALA 15 N 1.64 0.00 0.00 3.43 0.00 -1.26 -2.64 119.26 120.43 1cff h ALA 15 Ca 0.57 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1cff h ALA 15 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1cff h ALA 15 CO -0.34 -0.03 0.31 0.35 0.00 0.00 0.00 179.25 179.54 1cff h PHE 16 N -0.80 0.00 0.02 0.00 3.04 0.62 2.56 116.94 122.38 1cff h PHE 16 Ca -0.01 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.62 1cff h PHE 16 Cb 0.91 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.37 1cff h PHE 16 CO 0.22 0.00 -1.90 0.45 -2.02 0.00 0.00 178.31 175.06 1cff n SER 17 N -2.75 0.94 -0.00 0.41 2.88 0.28 -4.01 113.62 111.37 1cff n SER 17 Ca -0.02 0.29 -0.20 0.00 -1.33 0.00 0.00 58.87 57.62 1cff n SER 17 Cb 0.35 -0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.67 1cff n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cff n LEU 18 N -3.06 2.40 -0.09 2.46 7.99 0.60 -3.97 117.00 123.32 1cff n LEU 18 Ca -0.23 0.23 0.25 0.00 -0.01 0.00 0.00 56.01 56.25 1cff n LEU 18 Cb 1.07 -0.94 0.71 0.00 -0.11 0.00 0.00 43.42 44.16 1cff n LEU 18 CO 0.44 0.79 1.23 0.15 -1.51 0.00 0.00 177.39 178.48 1cff h PHE 19 N 0.06 0.00 -0.17 -1.77 3.04 0.41 0.41 116.94 118.91 1cff h PHE 19 Ca -0.41 0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.56 1cff h PHE 19 Cb 2.03 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 40.53 1cff h PHE 19 CO 0.07 0.00 0.12 0.22 -2.02 0.00 0.00 178.31 176.69 1cff h ASP 20 N 0.00 0.12 -6.59 0.41 1.82 -1.70 -3.47 116.42 107.02 1cff h ASP 20 Ca 0.34 -0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.46 1cff h ASP 20 Cb 1.40 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 41.34 1cff h ASP 20 CO -0.00 0.09 -0.94 1.17 -1.61 0.00 0.00 179.24 177.95 1cff n LYS 21 N -4.51 -1.86 0.00 0.28 4.81 0.14 -4.65 118.16 112.37 1cff n LYS 21 Ca 0.00 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1cff n LYS 21 Cb 0.15 -3.93 0.00 0.00 0.02 0.00 0.00 35.03 31.27 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 -2.74 0.00 -0.21 3.14 5.68 -1.26 -4.98 116.55 116.18 1cff n ASP 22 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.07 1cff n ASP 22 Cb 0.64 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 1cff n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 23 N -0.82 0.62 0.04 6.12 0.00 -1.26 -5.03 105.19 104.86 1cff n GLY 23 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.08 3.20 0.00 1.61 2.03 -1.26 -5.02 116.55 117.03 1cff n ASP 24 Ca 0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1cff n ASP 24 Cb 0.12 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 2.74 3.32 3.34 0.27 0.00 -1.26 -5.01 105.19 108.59 1cff n GLY 25 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.38 2.57 -0.14 2.61 -4.23 -1.26 -4.73 115.64 108.08 1cff s THR 26 Ca 0.00 -0.87 -0.17 0.00 -1.18 0.00 0.00 61.69 59.46 1cff s THR 26 Cb 0.00 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 1cff s THR 26 CO 0.00 0.56 0.44 -0.63 -0.54 0.00 0.00 174.62 174.45 1cff s ILE 27 N -0.14 5.21 0.20 2.99 -1.09 -0.91 -4.81 121.20 122.64 1cff s ILE 27 Ca -0.03 0.86 0.01 0.00 -2.23 0.00 0.00 60.65 59.27 1cff s ILE 27 Cb -0.14 -3.78 -0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1cff s ILE 27 CO 0.04 0.32 0.23 0.41 -1.23 0.00 0.00 174.94 174.71 1cff n THR 28 N 3.76 0.00 0.24 2.92 -1.04 -1.26 0.64 114.28 119.54 1cff n THR 28 Ca -0.08 -1.18 0.16 0.00 -2.04 0.00 0.00 64.05 60.91 1cff n THR 28 Cb 0.52 0.66 0.85 0.00 -1.82 0.00 0.00 70.33 70.53 1cff n THR 28 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1cff h THR 29 N 1.60 0.54 0.25 12.58 1.35 -1.96 -1.35 112.91 125.91 1cff h THR 29 Ca -0.15 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.71 1cff h THR 29 Cb 0.69 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 1cff h THR 29 CO 0.21 0.00 -0.26 0.50 -0.25 0.00 0.00 175.52 175.72 1cff h LYS 30 N 0.00 -0.49 -0.14 4.72 1.63 -1.96 1.22 116.57 121.55 1cff h LYS 30 Ca 0.05 0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.80 1cff h LYS 30 Cb 0.28 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1cff h LYS 30 CO -0.00 -0.32 -0.24 1.05 -3.45 0.00 0.00 179.45 176.48 1cff h GLU 31 N -0.50 0.41 -0.47 1.90 9.09 -1.78 -0.81 114.58 122.41 1cff h GLU 31 Ca -0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 59.36 59.11 1cff h GLU 31 Cb 0.44 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.54 1cff h GLU 31 CO -0.04 0.85 0.23 1.25 0.05 0.00 0.00 179.01 181.36 1cff h LEU 32 N 0.02 0.58 -0.08 3.06 6.46 -1.28 -2.17 115.31 121.91 1cff h LEU 32 Ca 0.01 -0.05 -0.22 0.00 -0.12 0.00 0.00 57.88 57.51 1cff h LEU 32 Cb 0.83 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1cff h LEU 32 CO 0.06 0.50 -1.00 1.23 -0.62 0.00 0.00 178.44 178.60 1cff h GLY 33 N 0.76 0.10 1.55 3.75 0.00 0.16 -2.83 103.07 106.56 1cff h GLY 33 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1cff h GLY 33 CO -0.02 0.19 0.18 -0.84 0.00 0.00 0.00 176.54 176.05 1cff h THR 34 N 0.03 1.15 0.07 4.70 2.02 -0.52 -1.23 112.91 119.13 1cff h THR 34 Ca -0.04 -0.45 -0.26 0.00 0.77 0.00 0.00 66.41 66.43 1cff h THR 34 Cb 1.72 0.64 0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1cff h THR 34 CO 0.14 0.18 -1.10 1.62 0.37 0.00 0.00 175.52 176.73 1cff h VAL 35 N 0.59 1.39 0.00 3.16 3.04 -1.47 0.86 116.25 123.81 1cff h VAL 35 Ca 0.15 -2.59 0.00 0.00 -1.01 0.00 0.00 66.70 63.25 1cff h VAL 35 Cb 0.09 2.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.99 1cff h VAL 35 CO -0.02 0.77 0.00 0.23 -1.01 0.00 0.00 177.57 177.55 1cff n MET 36 N -3.71 0.14 -0.04 4.17 2.81 -0.84 -1.99 117.12 117.66 1cff n MET 36 Ca -0.09 0.39 -0.08 0.00 -1.81 0.00 0.00 57.70 56.11 1cff n MET 36 Cb 0.92 -1.78 -0.03 0.00 -0.71 0.00 0.00 33.22 31.62 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 -2.06 0.19 0.31 0.03 3.00 -0.52 -1.15 116.66 116.46 1cff n ARG 37 Ca 0.02 0.07 0.21 0.00 -0.00 0.00 0.00 57.85 58.15 1cff n ARG 37 Cb 0.20 -0.96 1.11 0.00 0.00 0.00 0.00 32.46 32.81 1cff n ARG 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1cff h SER 38 N -0.18 0.00 0.00 6.15 0.87 0.70 -0.13 113.55 120.96 1cff h SER 38 Ca -0.20 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1cff h SER 38 Cb 1.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1cff h SER 38 CO -0.09 0.00 -1.43 0.18 -0.53 0.00 0.00 176.83 174.96 1cff n LEU 39 N -2.93 0.00 -1.84 2.23 4.32 -0.84 -5.00 117.00 112.93 1cff n LEU 39 Ca -0.03 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.86 1cff n LEU 39 Cb 0.08 0.01 0.03 0.00 -1.62 0.00 0.00 43.42 41.92 1cff n LEU 39 CO 0.18 0.01 0.10 0.61 -1.22 0.00 0.00 177.39 177.07 1cff n GLY 40 N 2.02 0.26 3.76 -0.72 0.00 -0.06 -4.97 105.19 105.48 1cff n GLY 40 Ca -0.03 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 1cff n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cff s GLN 41 N -5.52 4.51 0.26 1.61 -0.21 -0.30 -4.95 119.66 115.06 1cff s GLN 41 Ca 0.25 1.74 -0.11 0.00 0.02 0.00 0.00 55.36 57.26 1cff s GLN 41 Cb -0.11 -3.03 0.37 0.00 1.00 0.00 0.00 33.01 31.24 1cff s GLN 41 CO 0.31 0.11 1.57 -0.91 -2.12 0.00 0.00 175.29 174.25 1cff h ASN 42 N 3.48 -1.00 -0.77 5.90 -0.26 -1.93 -3.42 115.58 117.57 1cff h ASN 42 Ca -0.47 0.29 -0.68 0.00 -0.56 0.00 0.00 56.30 54.88 1cff h ASN 42 Cb 1.21 0.62 0.01 0.00 -1.06 0.00 0.00 38.32 39.10 1cff h ASN 42 CO 0.66 -0.31 0.53 -2.65 -1.06 0.00 0.00 177.43 174.60 1cff n PRO 43 N -5.56 0.00 -0.77 0.81 -0.02 -1.26 -4.84 135.00 123.35 1cff n PRO 43 Ca 0.13 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.28 1cff n PRO 43 Cb 0.45 -1.15 0.13 0.00 -0.02 0.00 0.00 33.50 32.91 1cff n PRO 43 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1cff n THR 44 N 3.07 0.00 0.03 3.45 -2.24 -1.26 -4.89 114.28 112.44 1cff n THR 44 Ca 0.24 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 1cff n THR 44 Cb -0.05 -0.56 0.12 0.00 -2.10 0.00 0.00 70.33 67.75 1cff n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1cff h GLU 45 N -1.71 0.45 0.00 -0.78 5.08 -1.94 -3.09 114.58 112.60 1cff h GLU 45 Ca -0.47 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 57.53 1cff h GLU 45 Cb 1.32 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1cff h GLU 45 CO 0.35 0.83 -0.92 0.00 -1.00 0.00 0.00 179.01 178.26 1cff h ALA 46 N 1.13 0.66 -0.99 3.43 0.00 -2.01 -3.35 119.26 118.13 1cff h ALA 46 Ca 0.02 -0.53 0.32 0.00 0.00 0.00 0.00 54.91 54.72 1cff h ALA 46 Cb 0.96 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1cff h ALA 46 CO 0.08 0.63 0.54 1.49 0.00 0.00 0.00 179.25 182.00 1cff h GLU 47 N 0.00 0.29 -0.77 0.00 4.57 -1.88 0.85 114.58 117.64 1cff h GLU 47 Ca -0.07 -0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.26 1cff h GLU 47 Cb 1.40 -0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 29.81 1cff h GLU 47 CO 0.04 0.19 0.23 1.37 -1.18 0.00 0.00 179.01 179.67 1cff h LEU 48 N 0.30 0.11 -0.99 1.64 8.10 -1.72 1.10 115.31 123.84 1cff h LEU 48 Ca 0.73 0.14 0.05 0.00 0.11 0.00 0.00 57.88 58.92 1cff h LEU 48 Cb 1.67 0.17 -0.06 0.00 -0.44 0.00 0.00 40.66 42.00 1cff h LEU 48 CO -0.62 -0.01 0.64 -0.61 -4.11 0.00 0.00 178.44 173.73 1cff h GLN 49 N 0.32 1.16 -0.08 0.17 5.75 0.47 0.99 115.11 123.89 1cff h GLN 49 Ca 0.44 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.81 1cff h GLN 49 Cb 0.75 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 1cff h GLN 49 CO -0.50 0.77 -0.21 0.22 -2.65 0.00 0.00 178.83 176.46 1cff h ASP 50 N 1.20 0.13 0.19 -0.69 3.58 0.12 0.44 116.42 121.38 1cff h ASP 50 Ca 0.41 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.83 1cff h ASP 50 Cb 0.10 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1cff h ASP 50 CO -0.15 0.35 -0.09 -0.03 -2.88 0.00 0.00 179.24 176.43 1cff h MET 51 N 0.12 -0.24 -0.79 0.28 1.85 0.51 -1.78 114.93 114.88 1cff h MET 51 Ca 0.02 0.02 0.10 0.00 -0.61 0.00 0.00 59.70 59.23 1cff h MET 51 Cb 0.45 0.06 -0.08 0.00 0.43 0.00 0.00 31.60 32.46 1cff h MET 51 CO 0.03 -0.16 0.43 -0.84 -0.40 0.00 0.00 176.91 175.96 1cff h ILE 52 N -0.54 0.86 0.00 1.77 3.07 0.74 0.14 117.51 123.55 1cff h ILE 52 Ca -0.03 -0.24 -0.03 0.00 1.55 0.00 0.00 64.86 66.11 1cff h ILE 52 Cb 0.19 0.10 -0.00 0.00 -0.27 0.00 0.00 36.82 36.84 1cff h ILE 52 CO 0.04 0.13 -0.16 -1.13 -1.05 0.00 0.00 178.15 175.98 1cff h ASN 53 N 0.70 0.00 1.56 2.16 -0.73 -0.23 1.00 115.58 120.04 1cff h ASN 53 Ca 0.39 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.47 1cff h ASN 53 Cb 0.41 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 1cff h ASN 53 CO -0.27 0.16 -0.44 -0.08 -0.37 0.00 0.00 177.43 176.43 1cff h GLU 54 N 0.00 0.00 -0.02 6.67 4.81 0.17 -3.24 114.58 122.97 1cff h GLU 54 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1cff h GLU 54 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1cff h GLU 54 CO 0.02 0.44 -0.23 1.55 -0.73 0.00 0.00 179.01 180.06 1cff n VAL 55 N -3.21 0.00 -0.64 0.32 3.14 -0.58 -4.74 118.33 112.62 1cff n VAL 55 Ca 0.02 -0.38 -0.21 0.00 -2.96 0.00 0.00 64.34 60.81 1cff n VAL 55 Cb 0.71 1.30 -0.02 0.00 -1.06 0.00 0.00 33.84 34.77 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 0.41 3.58 -0.35 6.55 8.00 0.28 -4.56 116.55 130.46 1cff n ASP 56 Ca 0.09 -2.31 0.09 0.00 0.71 0.00 0.00 54.79 53.37 1cff n ASP 56 Cb 0.43 -0.97 0.26 0.00 -0.02 0.00 0.00 41.12 40.83 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 6.93 1.54 0.00 2.24 0.00 -1.88 -0.79 119.26 127.30 1cff h ALA 57 Ca 0.38 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1cff h ALA 57 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1cff h ALA 57 CO 1.44 0.13 -1.71 -0.40 0.00 0.00 0.00 179.25 178.71 1cff n ASP 58 N -4.68 0.37 -3.83 0.00 5.68 -1.26 -5.03 116.55 107.80 1cff n ASP 58 Ca 0.20 -0.25 -0.27 0.00 -0.50 0.00 0.00 54.79 53.97 1cff n ASP 58 Cb 0.42 1.72 0.00 0.00 -1.14 0.00 0.00 41.12 42.12 1cff n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 59 N 1.35 -1.26 0.01 6.12 0.00 -0.30 -4.89 105.19 106.21 1cff n GLY 59 Ca -0.02 0.58 0.10 0.00 0.00 0.00 0.00 46.02 46.68 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 -2.58 0.60 0.00 1.61 6.94 -1.26 -5.00 115.26 115.57 1cff n ASN 60 Ca -0.31 -0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.23 1cff n ASN 60 Cb 0.68 1.86 0.00 0.00 -2.36 0.00 0.00 39.78 39.96 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 1.41 1.50 0.00 4.83 0.00 -1.26 -5.14 105.19 106.53 1cff n GLY 61 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.38 2.61 -2.24 -1.26 -5.04 114.28 104.97 1cff n THR 62 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1cff n THR 62 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1cff n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1cff s ILE 63 N -1.29 4.97 0.06 2.28 -1.09 0.21 -4.88 121.20 121.45 1cff s ILE 63 Ca 0.00 0.99 0.03 0.00 -2.23 0.00 0.00 60.65 59.45 1cff s ILE 63 Cb 0.00 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 1cff s ILE 63 CO 0.00 0.51 -0.10 1.51 -1.23 0.00 0.00 174.94 175.63 1cff s ASP 64 N -0.70 1.19 0.22 3.58 1.47 -1.26 -2.15 116.67 119.01 1cff s ASP 64 Ca 0.26 -0.62 -0.17 0.00 1.18 0.00 0.00 52.55 53.20 1cff s ASP 64 Cb -0.17 0.01 0.23 0.00 -0.34 0.00 0.00 42.92 42.64 1cff s ASP 64 CO 0.15 -0.18 1.49 0.33 0.68 0.00 0.00 175.17 177.63 1cff n PHE 65 N 1.25 0.02 0.19 2.11 7.35 -1.26 -1.15 117.46 125.96 1cff n PHE 65 Ca -0.21 1.18 -0.15 0.00 -0.76 0.00 0.00 57.45 57.51 1cff n PHE 65 Cb 0.55 -0.85 -0.07 0.00 0.35 0.00 0.00 39.48 39.46 1cff n PHE 65 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1cff h PRO 66 N 0.00 -0.62 -0.35 -7.13 0.13 -1.98 0.52 132.00 122.57 1cff h PRO 66 Ca 0.33 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.51 1cff h PRO 66 Cb 0.57 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 1cff h PRO 66 CO -0.95 -0.42 0.23 1.05 -0.23 0.00 0.00 178.00 177.68 1cff h GLU 67 N -0.65 0.46 -0.54 0.86 4.11 -1.69 -0.98 114.58 116.15 1cff h GLU 67 Ca -0.01 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.32 1cff h GLU 67 Cb 0.61 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1cff h GLU 67 CO -0.09 0.32 0.03 0.35 0.07 0.00 0.00 179.01 179.68 1cff h PHE 68 N 0.47 0.96 0.81 2.06 3.04 -1.05 -1.54 116.94 121.70 1cff h PHE 68 Ca 0.13 -0.14 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1cff h PHE 68 Cb -0.04 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.20 1cff h PHE 68 CO -0.05 0.86 -0.49 1.25 -2.02 0.00 0.00 178.31 177.86 1cff h LEU 69 N 0.84 -1.24 -1.01 0.59 5.85 0.52 -2.58 115.31 118.29 1cff h LEU 69 Ca 0.16 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1cff h LEU 69 Cb 0.46 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 1cff h LEU 69 CO 0.02 -0.76 0.66 0.71 -0.34 0.00 0.00 178.44 178.73 1cff h THR 70 N -1.22 1.16 -0.91 1.05 1.35 -1.17 -1.57 112.91 111.61 1cff h THR 70 Ca -0.11 -0.43 0.13 0.00 -0.55 0.00 0.00 66.41 65.45 1cff h THR 70 Cb 0.97 -0.21 -0.07 0.00 -1.73 0.00 0.00 68.15 67.11 1cff h THR 70 CO 0.11 0.23 0.58 0.24 -0.25 0.00 0.00 175.52 176.44 1cff h MET 71 N 1.26 0.76 0.00 4.72 2.86 -1.12 -0.02 114.93 123.39 1cff h MET 71 Ca 0.41 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1cff h MET 71 Cb 0.03 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1cff h MET 71 CO -0.14 0.50 -0.57 0.52 1.06 0.00 0.00 176.91 178.29 1cff h MET 72 N 0.78 0.00 0.28 1.72 2.86 -0.98 -3.38 114.93 116.21 1cff h MET 72 Ca 0.45 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.08 1cff h MET 72 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1cff h MET 72 CO -0.21 0.00 -0.13 0.00 1.06 0.00 0.00 176.91 177.62 1cff h ALA 73 N 2.05 -0.49 -2.41 6.32 0.00 -0.07 -3.46 119.26 121.19 1cff h ALA 73 Ca 0.00 -0.08 -0.51 0.00 0.00 0.00 0.00 54.91 54.32 1cff h ALA 73 Cb 0.98 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1cff h ALA 73 CO 0.00 -0.46 -0.35 -0.98 0.00 0.00 0.00 179.25 177.46 1cff s ARG 74 N -2.83 3.49 0.00 0.00 1.70 -0.75 -5.01 118.95 115.54 1cff s ARG 74 Ca -0.05 -0.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 1cff s ARG 74 Cb 0.01 -2.84 0.00 0.00 -0.57 0.00 0.00 34.95 31.55 1cff s ARG 74 CO 0.16 0.38 0.00 1.63 -1.08 0.00 0.00 175.30 176.40 1cff n LYS 75 N -0.99 0.00 0.08 3.89 5.02 -1.26 -4.75 118.16 120.14 1cff n LYS 75 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1cff n LYS 75 Cb 0.55 -0.38 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 1cff n LYS 75 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1cff n MET 76 N -2.17 0.00 -1.45 1.97 1.56 -1.26 -5.16 117.12 110.62 1cff n MET 76 Ca 0.00 0.00 0.17 0.00 -0.27 0.00 0.00 57.70 57.60 1cff n MET 76 Cb 0.12 -0.26 -0.10 0.00 2.15 0.00 0.00 33.22 35.14 1cff n MET 76 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1cff n LYS 77 N -3.33 -3.30 0.00 2.12 3.00 -1.26 -5.01 118.16 110.38 1cff n LYS 77 Ca 0.00 2.71 0.00 0.00 -0.00 0.00 0.00 58.31 61.02 1cff n LYS 77 Cb 0.06 -3.88 0.00 0.00 0.00 0.00 0.00 35.03 31.21 1cff n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1cff n ASP 78 N -4.36 0.00 0.00 3.14 8.00 -1.26 -5.17 116.55 116.91 1cff n ASP 78 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1cff n ASP 78 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1cff n ASP 78 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1cff n THR 79 N -0.84 0.00 -2.67 -3.53 5.66 -1.26 -5.14 114.28 106.51 1cff n THR 79 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cff n THR 79 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 1cff n THR 79 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1cff s ASP 80 N 0.00 -0.06 0.00 1.09 2.15 -1.26 -5.16 116.67 113.43 1cff s ASP 80 Ca 0.00 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.93 1cff s ASP 80 Cb 0.00 0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.70 1cff s ASP 80 CO 0.00 -0.00 0.00 -1.54 -0.17 0.00 0.00 175.17 173.46 1cff n SER 81 N 3.08 0.00 0.34 -0.34 3.41 -1.26 -4.97 113.62 113.88 1cff n SER 81 Ca 0.07 -0.47 0.18 0.00 -0.26 0.00 0.00 58.87 58.39 1cff n SER 81 Cb 0.65 0.00 0.94 0.00 -0.26 0.00 0.00 64.21 65.54 1cff n SER 81 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1cff h GLU 82 N 0.00 0.00 -6.20 4.33 4.81 -2.02 -3.41 114.58 112.09 1cff h GLU 82 Ca 0.00 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.52 1cff h GLU 82 Cb 0.00 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.42 1cff h GLU 82 CO 0.00 0.00 0.57 0.39 -0.73 0.00 0.00 179.01 179.24 1cff n GLU 83 N -2.94 1.03 0.00 1.92 1.02 -1.26 0.13 120.64 120.54 1cff n GLU 83 Ca -0.02 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1cff n GLU 83 Cb 0.29 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1cff n GLU 83 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1cff n GLU 84 N 3.34 0.00 0.17 3.49 4.07 -1.26 -4.45 120.64 126.00 1cff n GLU 84 Ca 0.21 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.50 1cff n GLU 84 Cb 0.16 0.00 0.80 0.00 -0.06 0.00 0.00 31.44 32.34 1cff n GLU 84 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1cff h ILE 85 N 0.00 0.35 -1.28 6.31 1.08 -1.51 0.79 117.51 123.25 1cff h ILE 85 Ca 0.00 0.00 0.37 0.00 -0.39 0.00 0.00 64.86 64.84 1cff h ILE 85 Cb 0.00 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 34.43 1cff h ILE 85 CO 0.00 0.00 1.00 -0.09 -0.69 0.00 0.00 178.15 178.37 1cff h ARG 86 N 0.00 0.00 0.05 2.37 2.43 0.89 1.69 114.38 121.81 1cff h ARG 86 Ca 0.12 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1cff h ARG 86 Cb 0.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1cff h ARG 86 CO -0.00 0.00 -0.03 0.93 -1.51 0.00 0.00 179.97 179.36 1cff h GLU 87 N 0.00 -0.07 -0.30 0.20 5.08 -1.10 -1.44 114.58 116.95 1cff h GLU 87 Ca 0.61 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.98 1cff h GLU 87 Cb 2.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.86 1cff h GLU 87 CO -0.01 0.50 0.20 0.00 -1.00 0.00 0.00 179.01 178.70 1cff h ALA 88 N -0.28 1.82 -0.68 3.43 0.00 -0.52 0.82 119.26 123.84 1cff h ALA 88 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1cff h ALA 88 Cb 0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1cff h ALA 88 CO 0.01 0.16 0.19 0.35 0.00 0.00 0.00 179.25 179.97 1cff h PHE 89 N 0.38 1.11 0.01 0.00 3.57 0.23 0.39 116.94 122.62 1cff h PHE 89 Ca 0.11 -0.12 -0.21 0.00 3.53 0.00 0.00 57.97 61.28 1cff h PHE 89 Cb -0.00 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 1cff h PHE 89 CO -0.00 0.90 -0.99 -0.09 -2.23 0.00 0.00 178.31 175.89 1cff h ARG 90 N 1.00 0.02 -0.25 1.11 1.12 -0.01 -1.09 114.38 116.28 1cff h ARG 90 Ca 0.22 -0.04 -0.08 0.00 -1.11 0.00 0.00 59.98 58.97 1cff h ARG 90 Cb 0.32 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.28 1cff h ARG 90 CO -0.00 0.99 -0.18 0.28 -3.11 0.00 0.00 179.97 177.94 1cff h VAL 91 N 0.01 1.24 -0.01 0.20 2.07 0.11 -2.71 116.25 117.16 1cff h VAL 91 Ca -0.02 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1cff h VAL 91 Cb 1.74 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1cff h VAL 91 CO 0.13 0.35 -0.55 0.49 0.02 0.00 0.00 177.57 178.01 1cff n PHE 92 N -4.17 0.00 0.80 1.57 3.01 0.13 -4.11 117.46 114.69 1cff n PHE 92 Ca -0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 1cff n PHE 92 Cb 0.35 -0.06 0.28 0.00 -0.01 0.00 0.00 39.48 40.04 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1cff n ASP 93 N -0.67 0.54 0.00 4.37 2.03 -0.42 -4.62 116.55 117.77 1cff n ASP 93 Ca 0.08 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1cff n ASP 93 Cb 0.39 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1cff n ASP 93 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1cff n LYS 94 N -1.80 0.00 -0.06 -0.67 3.00 -1.18 0.10 118.16 117.55 1cff n LYS 94 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.28 1cff n LYS 94 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.40 1cff n LYS 94 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1cff h ASP 95 N 0.00 -0.36 0.00 3.14 3.04 -1.92 -3.47 116.42 116.85 1cff h ASP 95 Ca 0.00 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 1cff h ASP 95 Cb 0.00 0.21 0.00 0.00 -1.04 0.00 0.00 39.33 38.50 1cff h ASP 95 CO 0.00 -0.14 0.00 0.61 -2.04 0.00 0.00 179.24 177.67 1cff n GLY 96 N -1.27 0.48 1.01 7.15 0.00 0.28 -5.09 105.19 107.74 1cff n GLY 96 Ca -0.01 -0.79 -0.00 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 0.17 0.00 1.61 4.13 -1.26 -5.06 115.26 114.86 1cff n ASN 97 Ca 0.00 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1cff n ASN 97 Cb 0.00 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1cff n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cff n GLY 98 N 3.08 1.26 3.63 7.41 0.00 -1.26 -5.12 105.19 114.18 1cff n GLY 98 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.32 2.83 -0.93 1.61 2.02 -1.26 -4.34 117.35 116.97 1cff s TYR 99 Ca 0.00 -0.12 -0.10 0.00 -0.37 0.00 0.00 57.07 56.48 1cff s TYR 99 Cb 0.00 -1.45 0.24 0.00 -0.40 0.00 0.00 41.96 40.35 1cff s TYR 99 CO 0.00 0.47 0.87 0.42 -1.57 0.00 0.00 175.55 175.74 1cff s ILE 100 N -1.37 5.52 0.09 2.71 1.01 -1.10 -4.85 121.20 123.20 1cff s ILE 100 Ca 0.24 -2.99 -0.35 0.00 0.00 0.00 0.00 60.65 57.55 1cff s ILE 100 Cb -0.11 -4.38 -0.16 0.00 0.01 0.00 0.00 42.46 37.82 1cff s ILE 100 CO 0.16 -1.08 1.57 -1.28 0.00 0.00 0.00 174.94 174.31 1cff h SER 101 N 7.16 -1.35 0.00 3.58 0.87 -1.90 -3.36 113.55 118.55 1cff h SER 101 Ca 0.13 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1cff h SER 101 Cb 0.95 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1cff h SER 101 CO 0.85 -0.64 0.00 0.00 -0.53 0.00 0.00 176.83 176.51 1cff n ALA 102 N -2.80 0.00 0.16 6.23 0.00 -1.26 -4.90 120.51 117.94 1cff n ALA 102 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1cff n ALA 102 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.97 -1.34 0.00 0.00 -1.97 -0.11 119.26 114.87 1cff h ALA 103 Ca 0.00 -0.11 0.40 0.00 0.00 0.00 0.00 54.91 55.20 1cff h ALA 103 Cb 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1cff h ALA 103 CO 0.00 -1.00 0.92 1.05 0.00 0.00 0.00 179.25 180.22 1cff h GLU 104 N -0.58 0.11 0.10 0.00 9.09 -1.92 -1.70 114.58 119.67 1cff h GLU 104 Ca -0.03 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.36 1cff h GLU 104 Cb 0.51 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 1cff h GLU 104 CO -0.05 0.07 -0.05 -0.07 0.05 0.00 0.00 179.01 178.96 1cff h LEU 105 N 0.11 -0.11 -0.48 3.06 3.38 -1.56 -2.77 115.31 116.94 1cff h LEU 105 Ca 0.72 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.74 1cff h LEU 105 Cb 2.47 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 43.20 1cff h LEU 105 CO -0.20 -0.04 -0.28 -2.11 0.09 0.00 0.00 178.44 175.90 1cff n ARG 106 N -2.59 -0.21 0.04 1.13 1.85 -0.16 0.19 116.66 116.91 1cff n ARG 106 Ca -0.02 1.24 -0.08 0.00 -1.00 0.00 0.00 57.85 58.00 1cff n ARG 106 Cb 0.05 -1.84 -0.05 0.00 -1.05 0.00 0.00 32.46 29.58 1cff n ARG 106 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1cff h HIS 107 N 0.00 -0.74 -0.60 2.89 2.76 -1.58 0.77 115.15 118.64 1cff h HIS 107 Ca 0.08 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.17 1cff h HIS 107 Cb 0.19 0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 1cff h HIS 107 CO -0.98 -0.28 0.00 -0.39 -1.30 0.00 0.00 177.93 174.98 1cff h VAL 108 N -0.34 1.27 0.00 5.26 -1.51 -1.25 -0.90 116.25 118.78 1cff h VAL 108 Ca 0.00 -1.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 1cff h VAL 108 Cb 0.35 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1cff h VAL 108 CO -0.16 0.42 0.00 -0.03 -1.23 0.00 0.00 177.57 176.57 1cff h MET 109 N 0.96 0.00 0.00 5.19 -1.53 0.21 0.45 114.93 120.22 1cff h MET 109 Ca 0.17 0.00 -0.25 0.00 -3.44 0.00 0.00 59.70 56.18 1cff h MET 109 Cb 0.56 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.57 1cff h MET 109 CO 0.03 0.00 -1.66 2.41 0.14 0.00 0.00 176.91 177.83 1cff n THR 110 N -2.52 1.43 0.04 -0.77 -1.04 0.27 -2.32 114.28 109.36 1cff n THR 110 Ca 0.04 -0.76 -0.21 0.00 -2.04 0.00 0.00 64.05 61.08 1cff n THR 110 Cb 0.40 -0.88 -0.14 0.00 -1.82 0.00 0.00 70.33 67.88 1cff n THR 110 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1cff h ASN 111 N 0.00 0.48 -0.97 8.00 -0.73 -1.05 -3.21 115.58 118.10 1cff h ASN 111 Ca -0.26 -0.87 0.18 0.00 1.87 0.00 0.00 56.30 57.23 1cff h ASN 111 Cb 1.87 -0.16 -0.11 0.00 0.27 0.00 0.00 38.32 40.20 1cff h ASN 111 CO 0.06 1.76 0.57 0.25 -0.37 0.00 0.00 177.43 179.70 1cff h LEU 112 N 0.08 0.73 0.00 0.34 5.85 -0.26 -3.43 115.31 118.63 1cff h LEU 112 Ca -0.37 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1cff h LEU 112 Cb 2.06 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.06 1cff h LEU 112 CO 0.13 0.26 0.00 0.61 -0.34 0.00 0.00 178.44 179.10 1cff n GLY 113 N -1.33 0.00 0.00 3.75 0.00 -1.25 -5.09 105.19 101.27 1cff n GLY 113 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1cff n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cff n GLU 114 N 0.00 0.00 -2.87 1.61 -0.58 -0.98 -5.02 120.64 112.80 1cff n GLU 114 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 1cff n GLU 114 Cb 0.00 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.90 1cff n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1cff n LYS 115 N 0.00 0.88 -2.66 3.49 3.00 -1.26 -4.25 118.16 117.36 1cff n LYS 115 Ca 0.00 -2.24 -0.42 0.00 -0.00 0.00 0.00 58.31 55.65 1cff n LYS 115 Cb 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 35.03 33.68 1cff n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1cff s LEU 116 N -1.53 3.69 1.22 3.14 1.43 -1.26 -5.01 118.68 120.35 1cff s LEU 116 Ca 0.30 -0.86 -0.16 0.00 -1.03 0.00 0.00 54.13 52.38 1cff s LEU 116 Cb 0.26 -2.51 0.27 0.00 0.03 0.00 0.00 46.19 44.23 1cff s LEU 116 CO -0.14 -1.63 0.74 0.35 0.23 0.00 0.00 176.35 175.90 1cff n THR 117 N 6.27 0.00 0.28 5.49 -2.24 -1.26 -4.36 114.28 118.46 1cff n THR 117 Ca 0.07 -0.39 0.16 0.00 -2.27 0.00 0.00 64.05 61.63 1cff n THR 117 Cb 0.48 -0.89 0.82 0.00 -2.10 0.00 0.00 70.33 68.64 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 -2.73 0.00 0.00 3.42 1.82 -1.96 0.56 116.42 117.52 1cff h ASP 118 Ca -0.58 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.06 1cff h ASP 118 Cb 1.33 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.34 1cff h ASP 118 CO 0.43 0.06 -0.02 -0.33 -1.61 0.00 0.00 179.24 177.77 1cff h GLU 119 N 0.00 0.00 -0.13 0.28 3.07 -1.99 -2.67 114.58 113.14 1cff h GLU 119 Ca -0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.66 1cff h GLU 119 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1cff h GLU 119 CO 0.01 0.56 -0.73 1.05 -1.40 0.00 0.00 179.01 178.50 1cff h GLU 120 N -1.00 0.62 -0.41 2.33 4.11 -1.88 -2.82 114.58 115.53 1cff h GLU 120 Ca -0.01 -0.49 -0.11 0.00 0.07 0.00 0.00 59.36 58.83 1cff h GLU 120 Cb 0.57 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1cff h GLU 120 CO -0.00 1.11 -0.17 -0.24 0.07 0.00 0.00 179.01 179.78 1cff h VAL 121 N 0.43 1.26 0.45 -1.06 3.04 -0.04 0.26 116.25 120.59 1cff h VAL 121 Ca -0.03 -1.26 -0.02 0.00 -1.01 0.00 0.00 66.70 64.37 1cff h VAL 121 Cb 1.32 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 1cff h VAL 121 CO 0.14 0.43 -0.22 -0.78 -1.01 0.00 0.00 177.57 176.13 1cff h ASP 122 N 0.70 -0.51 0.29 3.17 3.58 -1.46 -1.92 116.42 120.26 1cff h ASP 122 Ca 0.11 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 1cff h ASP 122 Cb 0.67 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1cff h ASP 122 CO 0.05 -0.31 -0.28 -0.33 -2.88 0.00 0.00 179.24 175.48 1cff h GLU 123 N -0.68 0.00 -0.84 0.28 4.39 -1.45 -1.97 114.58 114.32 1cff h GLU 123 Ca -0.06 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1cff h GLU 123 Cb 0.50 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 1cff h GLU 123 CO 0.10 0.28 0.54 1.98 -1.16 0.00 0.00 179.01 180.76 1cff h MET 124 N 0.00 1.05 0.00 2.33 4.05 -0.10 0.37 114.93 122.62 1cff h MET 124 Ca -0.00 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1cff h MET 124 Cb 0.50 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1cff h MET 124 CO 0.04 0.69 -0.08 0.82 0.23 0.00 0.00 176.91 178.61 1cff h ILE 125 N 1.08 0.00 0.21 1.77 1.08 -0.93 -0.73 117.51 119.99 1cff h ILE 125 Ca 0.32 -0.69 -0.32 0.00 -0.39 0.00 0.00 64.86 63.78 1cff h ILE 125 Cb -0.04 1.64 0.03 0.00 -3.07 0.00 0.00 36.82 35.37 1cff h ILE 125 CO -0.10 0.00 -1.47 0.03 -0.69 0.00 0.00 178.15 175.93 1cff h ARG 126 N 0.00 0.45 0.05 2.37 3.08 -0.42 -0.82 114.38 119.09 1cff h ARG 126 Ca 0.00 -0.77 -0.23 0.00 0.07 0.00 0.00 59.98 59.05 1cff h ARG 126 Cb 0.84 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1cff h ARG 126 CO 0.00 1.36 -1.08 0.93 -1.07 0.00 0.00 179.97 180.11 1cff h GLU 127 N 0.12 0.13 -0.21 0.04 5.08 -0.36 -3.25 114.58 116.13 1cff h GLU 127 Ca -0.24 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 57.73 1cff h GLU 127 Cb 2.11 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.44 1cff h GLU 127 CO 0.24 1.08 -0.61 0.00 -1.00 0.00 0.00 179.01 178.72 1cff h ALA 128 N 0.84 0.53 -1.25 3.43 0.00 -1.19 -3.43 119.26 118.19 1cff h ALA 128 Ca -0.06 -0.54 -0.60 0.00 0.00 0.00 0.00 54.91 53.71 1cff h ALA 128 Cb 1.81 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1cff h ALA 128 CO 0.16 0.69 1.51 -3.47 0.00 0.00 0.00 179.25 178.14 1cff n ASP 129 N -3.96 2.21 0.00 0.00 -0.08 -0.32 -4.88 116.55 109.53 1cff n ASP 129 Ca -0.04 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1cff n ASP 129 Cb 0.65 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.76 1cff n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1cff n ILE 130 N 7.49 0.00 -0.32 5.18 -0.00 -1.26 -3.77 119.36 126.68 1cff n ILE 130 Ca 0.41 0.67 0.18 0.00 -0.00 0.00 0.00 62.75 64.01 1cff n ILE 130 Cb 0.31 -1.33 0.38 0.00 -0.00 0.00 0.00 39.64 38.99 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 0.17 -2.27 4.38 3.04 -1.95 -3.46 116.42 116.33 1cff h ASP 131 Ca 0.00 0.21 0.00 0.00 -3.24 0.00 0.00 57.03 54.00 1cff h ASP 131 Cb 0.00 0.24 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 1cff h ASP 131 CO 0.00 -0.19 0.00 0.61 -2.04 0.00 0.00 179.24 177.62 1cff n GLY 132 N -1.35 0.63 0.09 7.15 0.00 -1.25 -5.02 105.19 105.45 1cff n GLY 132 Ca 0.26 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.02 0.21 0.00 1.61 9.92 -1.26 -4.98 116.55 121.03 1cff n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1cff n ASP 133 Cb 0.38 1.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.87 1cff n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cff n GLY 134 N 1.78 1.03 0.00 0.44 0.00 -1.26 -5.10 105.19 102.08 1cff n GLY 134 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1cff n GLY 134 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cff n GLN 135 N 0.00 2.05 -3.67 1.61 7.27 -1.26 -4.94 117.38 118.44 1cff n GLN 135 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.79 1cff n GLN 135 Cb 0.00 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.49 1cff n GLN 135 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1cff s VAL 136 N 1.25 0.35 -0.23 1.69 1.01 -1.26 -4.62 120.40 118.60 1cff s VAL 136 Ca 0.00 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1cff s VAL 136 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1cff s VAL 136 CO 0.00 -0.42 0.43 0.54 0.00 0.00 0.00 175.10 175.65 1cff s ASN 137 N 1.91 6.40 0.36 3.32 4.22 -1.26 -2.71 114.94 127.19 1cff s ASN 137 Ca 0.04 0.48 0.30 0.00 -2.14 0.00 0.00 52.86 51.53 1cff s ASN 137 Cb -0.17 -2.24 1.19 0.00 1.28 0.00 0.00 41.25 41.31 1cff s ASN 137 CO -0.17 -0.16 1.15 0.00 -2.04 0.00 0.00 177.10 175.88 1cff n TYR 138 N 4.96 0.28 -0.34 1.54 9.36 -1.26 0.16 117.16 131.86 1cff n TYR 138 Ca -0.07 0.28 0.16 0.00 3.32 0.00 0.00 57.90 61.59 1cff n TYR 138 Cb 0.51 -0.67 0.36 0.00 -0.63 0.00 0.00 39.34 38.91 1cff n TYR 138 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1cff h GLU 139 N 0.00 0.59 0.13 2.98 4.57 -1.96 0.23 114.58 121.13 1cff h GLU 139 Ca 0.67 -0.04 -0.34 0.00 -1.18 0.00 0.00 59.36 58.47 1cff h GLU 139 Cb 2.42 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.87 1cff h GLU 139 CO -0.19 0.39 -1.82 1.05 -1.18 0.00 0.00 179.01 177.27 1cff h GLU 140 N 0.61 0.28 -0.86 1.92 4.11 0.12 -2.83 114.58 117.92 1cff h GLU 140 Ca 0.62 -0.48 0.19 0.00 0.07 0.00 0.00 59.36 59.76 1cff h GLU 140 Cb 1.11 0.18 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 1cff h GLU 140 CO -0.45 1.16 0.38 0.35 0.07 0.00 0.00 179.01 180.51 1cff h PHE 141 N 0.08 0.63 0.05 2.06 3.04 -0.81 0.81 116.94 122.79 1cff h PHE 141 Ca -0.36 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.49 1cff h PHE 141 Cb 2.05 -0.14 0.01 0.00 2.56 0.00 0.00 35.95 40.43 1cff h PHE 141 CO 0.08 0.00 -0.60 -0.39 -2.02 0.00 0.00 178.31 175.38 1cff h VAL 142 N 0.44 1.49 -0.41 1.41 -1.51 -0.74 -2.84 116.25 114.08 1cff h VAL 142 Ca 0.52 -2.22 0.12 0.00 -1.23 0.00 0.00 66.70 63.89 1cff h VAL 142 Cb 0.92 2.85 -0.02 0.00 -2.13 0.00 0.00 31.29 32.91 1cff h VAL 142 CO -0.49 0.63 0.31 -0.61 -1.23 0.00 0.00 177.57 176.19 1cff h GLN 143 N -0.28 0.00 0.31 5.19 4.15 -0.87 1.44 115.11 125.05 1cff h GLN 143 Ca -0.09 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1cff h GLN 143 Cb 1.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.06 1cff h GLN 143 CO 0.12 0.00 -0.15 0.52 -1.93 0.00 0.00 178.83 177.39 1cff h MET 144 N 0.00 -0.40 0.07 1.69 2.86 0.59 -2.72 114.93 117.02 1cff h MET 144 Ca 0.19 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1cff h MET 144 Cb 0.81 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1cff h MET 144 CO -0.00 -0.20 -0.03 1.98 1.06 0.00 0.00 176.91 179.72 1cff h MET 145 N -1.08 -0.09 0.64 1.72 1.85 -1.19 -3.40 114.93 113.38 1cff h MET 145 Ca -0.04 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.02 1cff h MET 145 Cb 0.39 0.02 0.01 0.00 0.43 0.00 0.00 31.60 32.45 1cff h MET 145 CO 0.07 -0.06 -0.31 1.79 -0.40 0.00 0.00 176.91 178.01 1cff h THR 146 N -0.75 0.11 -5.60 -0.77 1.35 0.14 -3.48 112.91 103.92 1cff h THR 146 Ca -0.01 -0.35 -0.37 0.00 -0.55 0.00 0.00 66.41 65.12 1cff h THR 146 Cb 0.07 0.16 0.14 0.00 -1.73 0.00 0.00 68.15 66.79 1cff h THR 146 CO 0.02 0.02 -0.66 0.00 -0.25 0.00 0.00 175.52 174.65 1cff n ALA 147 N -2.67 -1.33 -0.50 6.62 0.00 0.18 -4.94 120.51 117.87 1cff n ALA 147 Ca -0.11 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1cff n ALA 147 Cb 0.35 -4.95 0.00 0.00 0.00 0.00 0.00 19.45 14.85 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13