#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cff s ASP 2 N 0.00 6.27 0.56 0.00 1.11 -1.26 -4.94 116.67 118.41 1cff s ASP 2 Ca 0.00 -0.16 0.23 0.00 0.18 0.00 0.00 52.55 52.80 1cff s ASP 2 Cb 0.00 -2.25 1.54 0.00 1.07 0.00 0.00 42.92 43.29 1cff s ASP 2 CO 0.00 -0.47 2.18 -0.61 1.18 0.00 0.00 175.17 177.45 1cff h GLN 3 N 8.51 0.00 -1.76 8.23 -0.00 -2.11 -3.40 115.11 124.58 1cff h GLN 3 Ca -0.28 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.40 1cff h GLN 3 Cb 1.13 0.00 -0.22 0.00 0.00 0.00 0.00 27.48 28.38 1cff h GLN 3 CO 0.76 0.00 -0.24 -1.17 0.00 0.00 0.00 178.83 178.18 1cff s LEU 4 N -8.34 -1.10 0.38 -2.39 1.98 -1.26 -5.15 118.68 102.80 1cff s LEU 4 Ca -0.05 1.15 -0.23 0.00 -2.89 0.00 0.00 54.13 52.11 1cff s LEU 4 Cb 0.16 2.01 -0.10 0.00 0.66 0.00 0.00 46.19 48.92 1cff s LEU 4 CO 0.61 -0.24 0.95 0.42 -1.89 0.00 0.00 176.35 176.20 1cff s THR 5 N 2.81 4.28 -0.61 3.68 -4.23 -1.26 -4.96 115.64 115.34 1cff s THR 5 Ca 0.05 1.62 0.24 0.00 -1.18 0.00 0.00 61.69 62.41 1cff s THR 5 Cb -0.13 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.93 1cff s THR 5 CO -0.18 -0.11 1.22 1.21 -0.54 0.00 0.00 174.62 176.22 1cff n GLU 6 N -0.12 0.31 0.08 3.99 2.13 -1.26 -3.61 120.64 122.16 1cff n GLU 6 Ca 0.05 0.06 -0.04 0.00 0.66 0.00 0.00 57.16 57.89 1cff n GLU 6 Cb 0.52 -1.67 -0.02 0.00 0.27 0.00 0.00 31.44 30.55 1cff n GLU 6 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1cff h GLU 7 N 0.00 -0.23 0.34 5.31 5.08 -1.98 -2.32 114.58 120.77 1cff h GLU 7 Ca 0.00 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1cff h GLU 7 Cb 0.75 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1cff h GLU 7 CO 0.00 -0.15 -0.16 1.96 -1.00 0.00 0.00 179.01 179.66 1cff h GLN 8 N -0.49 -0.44 -0.67 2.33 1.08 -2.01 -2.99 115.11 111.93 1cff h GLN 8 Ca -0.02 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.35 1cff h GLN 8 Cb 0.18 0.10 -0.11 0.00 -0.05 0.00 0.00 27.48 27.60 1cff h GLN 8 CO 0.04 -0.19 0.06 0.97 -0.95 0.00 0.00 178.83 178.76 1cff h ILE 9 N -0.62 0.49 -0.99 2.54 2.10 -1.75 0.35 117.51 119.64 1cff h ILE 9 Ca -0.05 -0.06 0.30 0.00 1.08 0.00 0.00 64.86 66.14 1cff h ILE 9 Cb 0.45 0.31 -0.14 0.00 -1.09 0.00 0.00 36.82 36.34 1cff h ILE 9 CO 0.08 0.03 0.55 0.00 -1.08 0.00 0.00 178.15 177.73 1cff h ALA 10 N 1.59 1.87 -0.42 0.18 0.00 -1.27 1.45 119.26 122.66 1cff h ALA 10 Ca 0.36 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.48 1cff h ALA 10 Cb 0.60 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1cff h ALA 10 CO -0.53 -0.50 0.21 0.93 0.00 0.00 0.00 179.25 179.36 1cff h GLU 11 N 0.37 0.41 -0.27 0.00 5.08 -0.21 1.57 114.58 121.53 1cff h GLU 11 Ca 0.70 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1cff h GLU 11 Cb 1.54 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1cff h GLU 11 CO -0.58 0.27 0.17 0.35 -1.00 0.00 0.00 179.01 178.22 1cff h PHE 12 N 0.42 0.34 -0.48 4.33 3.57 0.19 0.67 116.94 125.99 1cff h PHE 12 Ca 0.18 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.56 1cff h PHE 12 Cb 0.08 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1cff h PHE 12 CO -0.10 0.22 -0.21 -0.22 -2.23 0.00 0.00 178.31 175.77 1cff h LYS 13 N 0.37 0.98 -0.83 1.11 3.11 0.43 -1.02 116.57 120.71 1cff h LYS 13 Ca 0.10 -0.41 0.20 0.00 -2.81 0.00 0.00 60.65 57.72 1cff h LYS 13 Cb -0.03 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.11 1cff h LYS 13 CO -0.02 1.08 0.56 0.93 -2.81 0.00 0.00 179.45 179.19 1cff h GLU 14 N 0.84 0.29 0.17 1.90 5.08 0.44 0.73 114.58 124.02 1cff h GLU 14 Ca 0.11 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.14 1cff h GLU 14 Cb 0.78 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1cff h GLU 14 CO 0.06 0.19 -1.46 0.00 -1.00 0.00 0.00 179.01 176.81 1cff h ALA 15 N 1.62 0.09 0.00 3.43 0.00 -1.19 -2.71 119.26 120.50 1cff h ALA 15 Ca 0.42 -0.98 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1cff h ALA 15 Cb 1.17 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1cff h ALA 15 CO -0.12 0.96 -0.00 0.35 0.00 0.00 0.00 179.25 180.44 1cff h PHE 16 N 0.10 0.00 0.04 0.00 3.57 0.14 2.18 116.94 122.96 1cff h PHE 16 Ca -0.23 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 60.94 1cff h PHE 16 Cb 2.05 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.75 1cff h PHE 16 CO 0.08 0.00 -1.94 0.43 -2.23 0.00 0.00 178.31 174.66 1cff n SER 17 N -3.10 1.29 0.04 0.41 7.64 0.20 -3.98 113.62 116.12 1cff n SER 17 Ca -0.02 0.26 -0.16 0.00 1.01 0.00 0.00 58.87 59.96 1cff n SER 17 Cb 0.14 -0.25 -0.14 0.00 -1.01 0.00 0.00 64.21 62.94 1cff n SER 17 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1cff h LEU 18 N 0.03 0.31 -1.99 -3.43 4.07 -1.06 -3.27 115.31 109.96 1cff h LEU 18 Ca -0.38 -0.50 0.16 0.00 0.08 0.00 0.00 57.88 57.24 1cff h LEU 18 Cb 2.04 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 43.65 1cff h LEU 18 CO 0.07 1.42 0.47 0.15 -1.08 0.00 0.00 178.44 179.46 1cff h PHE 19 N 0.05 0.00 0.00 1.13 3.57 0.34 1.18 116.94 123.21 1cff h PHE 19 Ca -0.27 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.06 1cff h PHE 19 Cb 2.01 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.73 1cff h PHE 19 CO 0.05 0.00 -0.81 0.22 -2.23 0.00 0.00 178.31 175.54 1cff h ASP 20 N 0.00 0.00 -6.97 0.41 1.82 -1.69 -3.46 116.42 106.54 1cff h ASP 20 Ca 0.26 0.00 -0.60 0.00 -0.39 0.00 0.00 57.03 56.31 1cff h ASP 20 Cb 1.19 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 41.04 1cff h ASP 20 CO -0.00 0.81 -0.96 1.17 -1.61 0.00 0.00 179.24 178.65 1cff n LYS 21 N -3.38 -1.25 0.00 0.28 0.00 0.40 -4.72 118.16 109.49 1cff n LYS 21 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 58.31 58.46 1cff n LYS 21 Cb 0.83 -3.63 0.00 0.00 0.00 0.00 0.00 35.03 32.23 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 22 N -2.82 0.00 -0.01 3.14 5.68 -1.26 -5.05 116.55 116.21 1cff n ASP 22 Ca -0.30 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.99 1cff n ASP 22 Cb 0.68 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 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 0.19 1.61 0.33 6.12 0.00 -1.26 -5.01 105.19 107.17 1cff n GLY 23 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 0.22 1.95 0.00 1.61 2.03 -1.26 -5.05 116.55 116.06 1cff n ASP 24 Ca 0.00 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1cff n ASP 24 Cb 0.06 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 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 2.51 1.45 3.86 0.27 0.00 -1.26 -5.08 105.19 106.94 1cff n GLY 25 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.78 5.18 -0.45 2.61 -4.23 -1.26 -4.78 115.64 110.93 1cff s THR 26 Ca 0.00 0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 60.90 1cff s THR 26 Cb 0.00 -3.62 0.08 0.00 1.34 0.00 0.00 72.50 70.31 1cff s THR 26 CO 0.00 0.47 0.32 -0.63 -0.54 0.00 0.00 174.62 174.25 1cff s ILE 27 N -1.19 4.64 0.42 2.99 -1.09 -0.98 -4.89 121.20 121.10 1cff s ILE 27 Ca 0.25 -1.30 0.04 0.00 -2.23 0.00 0.00 60.65 57.41 1cff s ILE 27 Cb -0.15 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1cff s ILE 27 CO 0.13 -0.56 0.05 -0.89 -1.23 0.00 0.00 174.94 172.44 1cff s THR 28 N 1.51 1.22 0.57 2.92 2.01 -1.26 -2.57 115.64 120.04 1cff s THR 28 Ca 0.04 -2.00 0.32 0.00 0.31 0.00 0.00 61.69 60.36 1cff s THR 28 Cb -0.24 -2.53 0.46 0.00 0.01 0.00 0.00 72.50 70.20 1cff s THR 28 CO 0.04 0.00 1.74 0.71 -0.69 0.00 0.00 174.62 176.41 1cff h THR 29 N 1.72 0.30 -0.14 -0.82 1.35 -1.95 0.86 112.91 114.22 1cff h THR 29 Ca -0.41 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.44 1cff h THR 29 Cb 1.27 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1cff h THR 29 CO 0.71 0.00 0.06 0.50 -0.25 0.00 0.00 175.52 176.53 1cff h LYS 30 N 0.00 0.21 0.00 4.72 1.63 -1.97 0.67 116.57 121.83 1cff h LYS 30 Ca 0.43 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1cff h LYS 30 Cb 2.03 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 33.62 1cff h LYS 30 CO -0.00 0.30 -0.02 0.93 -3.45 0.00 0.00 179.45 177.20 1cff h GLU 31 N 0.07 0.00 -1.00 1.90 3.07 -0.03 -2.59 114.58 116.00 1cff h GLU 31 Ca 0.05 0.00 0.22 0.00 -0.50 0.00 0.00 59.36 59.13 1cff h GLU 31 Cb 0.17 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.98 1cff h GLU 31 CO -0.00 0.52 0.62 1.25 -1.40 0.00 0.00 179.01 180.00 1cff h LEU 32 N -1.00 0.62 -0.74 1.33 6.46 0.30 0.73 115.31 123.01 1cff h LEU 32 Ca -0.00 0.09 -0.09 0.00 -0.12 0.00 0.00 57.88 57.76 1cff h LEU 32 Cb 0.53 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 1cff h LEU 32 CO -0.00 0.18 -0.00 1.23 -0.62 0.00 0.00 178.44 179.22 1cff h GLY 33 N 0.58 1.03 0.24 3.75 0.00 0.29 -2.18 103.07 106.78 1cff h GLY 33 Ca 0.58 -0.73 0.20 0.00 0.00 0.00 0.00 47.33 47.38 1cff h GLY 33 CO -0.35 0.67 0.61 0.00 0.00 0.00 0.00 176.54 177.48 1cff h THR 34 N 0.88 0.68 -0.53 4.70 1.03 0.89 0.62 112.91 121.18 1cff h THR 34 Ca 0.16 -0.17 -0.11 0.00 -0.01 0.00 0.00 66.41 66.28 1cff h THR 34 Cb 0.52 0.13 -0.02 0.00 -1.07 0.00 0.00 68.15 67.71 1cff h THR 34 CO 0.03 0.09 -0.08 0.58 -0.01 0.00 0.00 175.52 176.13 1cff h VAL 35 N 0.51 1.27 0.00 0.00 2.07 -0.98 1.23 116.25 120.34 1cff h VAL 35 Ca 0.50 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1cff h VAL 35 Cb 1.11 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1cff h VAL 35 CO -0.23 0.43 0.00 -0.03 0.02 0.00 0.00 177.57 177.76 1cff h MET 36 N 0.86 0.00 0.00 1.57 -1.53 0.45 0.19 114.93 116.47 1cff h MET 36 Ca 0.14 0.00 -0.25 0.00 -3.44 0.00 0.00 59.70 56.15 1cff h MET 36 Cb 0.64 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.65 1cff h MET 36 CO 0.04 0.00 -1.80 -2.13 0.14 0.00 0.00 176.91 173.16 1cff n ARG 37 N -2.37 0.34 0.16 0.39 0.63 -0.61 -0.89 116.66 114.32 1cff n ARG 37 Ca -0.02 0.15 0.12 0.00 -0.92 0.00 0.00 57.85 57.18 1cff n ARG 37 Cb 0.04 -1.07 0.59 0.00 0.45 0.00 0.00 32.46 32.47 1cff n ARG 37 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1cff h SER 38 N -0.58 0.00 0.00 6.15 0.87 0.16 -1.10 113.55 119.06 1cff h SER 38 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1cff h SER 38 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1cff h SER 38 CO -0.23 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.25 1cff n LEU 39 N -2.29 0.49 -3.07 2.23 7.99 0.64 -5.00 117.00 117.99 1cff n LEU 39 Ca -0.01 -0.70 -0.23 0.00 -0.01 0.00 0.00 56.01 55.07 1cff n LEU 39 Cb 0.08 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.43 1cff n LEU 39 CO 0.13 0.12 0.02 0.61 -1.51 0.00 0.00 177.39 176.76 1cff n GLY 40 N 0.42 -0.53 3.83 -0.72 0.00 -0.42 -4.96 105.19 102.81 1cff n GLY 40 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.76 2.26 -0.47 1.61 -0.21 -0.06 -4.95 119.66 112.08 1cff s GLN 41 Ca 0.33 0.56 0.07 0.00 0.02 0.00 0.00 55.36 56.35 1cff s GLN 41 Cb -0.14 -1.94 0.39 0.00 1.00 0.00 0.00 33.01 32.31 1cff s GLN 41 CO 0.41 -1.48 0.99 0.09 -2.12 0.00 0.00 175.29 173.17 1cff n ASN 42 N -3.33 3.76 -4.65 5.90 5.03 -1.26 -4.73 115.26 115.98 1cff n ASN 42 Ca 0.07 -3.50 -0.43 0.00 0.87 0.00 0.00 54.58 51.59 1cff n ASN 42 Cb 0.57 -0.52 -0.02 0.00 -1.02 0.00 0.00 39.78 38.78 1cff n ASN 42 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1cff s PRO 43 N -3.33 4.14 0.48 3.52 0.04 -1.26 -4.97 135.00 133.61 1cff s PRO 43 Ca 0.45 1.52 -0.19 0.00 0.04 0.00 0.00 61.00 62.81 1cff s PRO 43 Cb 0.36 -3.79 -0.14 0.00 0.04 0.00 0.00 34.50 30.97 1cff s PRO 43 CO -0.13 -0.83 0.10 0.25 0.04 0.00 0.00 177.00 176.44 1cff n THR 44 N 5.62 0.70 -0.33 1.26 -2.24 -1.26 -4.62 114.28 113.41 1cff n THR 44 Ca 0.14 -0.50 0.24 0.00 -2.27 0.00 0.00 64.05 61.66 1cff n THR 44 Cb 0.45 -0.16 0.52 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.20 0.35 0.00 -0.78 4.39 -2.03 0.39 114.58 117.10 1cff h GLU 45 Ca -0.41 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.19 1cff h GLU 45 Cb 1.44 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 1cff h GLU 45 CO 0.45 0.23 -1.01 0.00 -1.16 0.00 0.00 179.01 177.52 1cff h ALA 46 N 1.62 0.63 0.71 3.43 0.00 -1.99 -3.37 119.26 120.29 1cff h ALA 46 Ca 0.61 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1cff h ALA 46 Cb 1.60 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1cff h ALA 46 CO -0.30 0.44 -0.48 1.49 0.00 0.00 0.00 179.25 180.40 1cff h GLU 47 N 0.00 -1.09 -0.80 0.00 4.57 -0.50 1.24 114.58 118.00 1cff h GLU 47 Ca -0.06 0.07 0.16 0.00 -1.18 0.00 0.00 59.36 58.35 1cff h GLU 47 Cb 1.28 0.25 -0.10 0.00 -0.16 0.00 0.00 28.75 30.02 1cff h GLU 47 CO 0.03 -0.73 0.33 -0.07 -1.18 0.00 0.00 179.01 177.39 1cff h LEU 48 N -1.13 0.32 -1.33 1.64 4.07 -1.71 1.73 115.31 118.89 1cff h LEU 48 Ca -0.09 0.12 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1cff h LEU 48 Cb 0.92 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 1cff h LEU 48 CO 0.07 0.10 -0.09 -0.61 -1.08 0.00 0.00 178.44 176.82 1cff h GLN 49 N 0.46 0.33 -0.28 1.13 5.75 -1.59 0.37 115.11 121.29 1cff h GLN 49 Ca 0.45 -0.08 -0.18 0.00 -0.15 0.00 0.00 58.65 58.69 1cff h GLN 49 Cb 0.71 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.22 1cff h GLN 49 CO -0.43 0.44 -0.53 0.22 -2.65 0.00 0.00 178.83 175.88 1cff h ASP 50 N 0.32 0.95 0.49 -0.69 3.58 1.12 0.27 116.42 122.46 1cff h ASP 50 Ca 0.07 -0.54 -0.09 0.00 0.42 0.00 0.00 57.03 56.89 1cff h ASP 50 Cb 0.37 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1cff h ASP 50 CO 0.02 1.31 -0.44 -0.03 -2.88 0.00 0.00 179.24 177.22 1cff h MET 51 N 0.62 0.00 0.19 0.28 4.05 0.28 0.70 114.93 121.05 1cff h MET 51 Ca 0.01 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.12 1cff h MET 51 Cb 1.14 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.96 1cff h MET 51 CO 0.12 0.44 -1.44 0.82 0.23 0.00 0.00 176.91 177.08 1cff h ILE 52 N 0.00 1.30 -0.01 1.77 1.08 -0.11 -3.31 117.51 118.24 1cff h ILE 52 Ca -0.00 -2.82 0.00 0.00 -0.39 0.00 0.00 64.86 61.64 1cff h ILE 52 Cb 0.80 2.94 0.00 0.00 -3.07 0.00 0.00 36.82 37.50 1cff h ILE 52 CO 0.06 0.85 -0.27 -3.20 -0.69 0.00 0.00 178.15 174.89 1cff n ASN 53 N -3.60 1.27 0.11 1.72 2.85 0.95 -3.75 115.26 114.80 1cff n ASN 53 Ca -0.15 -1.07 -0.23 0.00 -0.11 0.00 0.00 54.58 53.02 1cff n ASN 53 Cb 1.07 0.18 -0.14 0.00 1.24 0.00 0.00 39.78 42.13 1cff n ASN 53 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1cff h GLU 54 N 1.58 0.59 -0.47 1.20 4.39 0.33 -3.27 114.58 118.93 1cff h GLU 54 Ca 0.00 -0.86 0.00 0.00 0.34 0.00 0.00 59.36 58.84 1cff h GLU 54 Cb 0.56 0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1cff h GLU 54 CO 0.00 1.40 0.00 1.33 -1.16 0.00 0.00 179.01 180.58 1cff n VAL 55 N -3.76 0.62 -0.62 3.13 0.24 -1.25 -4.71 118.33 111.99 1cff n VAL 55 Ca -0.15 -0.73 -0.18 0.00 -2.04 0.00 0.00 64.34 61.25 1cff n VAL 55 Cb 1.03 0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 33.99 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1cff n ASP 56 N 1.24 4.10 0.00 -1.34 8.00 -1.24 -4.49 116.55 122.83 1cff n ASP 56 Ca 0.20 -2.26 0.09 0.00 0.71 0.00 0.00 54.79 53.53 1cff n ASP 56 Cb 0.53 -0.99 0.50 0.00 -0.02 0.00 0.00 41.12 41.14 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 6.46 1.92 0.00 2.24 0.00 -1.88 -1.13 119.26 126.87 1cff h ALA 57 Ca 0.40 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1cff h ALA 57 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cff h ALA 57 CO 1.32 0.00 -1.87 -0.40 0.00 0.00 0.00 179.25 178.31 1cff n ASP 58 N -4.48 0.70 -3.71 0.00 5.68 -1.26 -4.98 116.55 108.50 1cff n ASP 58 Ca 0.05 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.05 1cff n ASP 58 Cb 0.23 1.85 -0.05 0.00 -1.14 0.00 0.00 41.12 42.00 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 1.44 -0.35 0.20 6.12 0.00 -0.43 -4.78 105.19 107.39 1cff n GLY 59 Ca -0.04 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1cff n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1cff h ASN 60 N -0.59 0.75 0.00 1.61 -1.07 -1.94 -3.47 115.58 110.87 1cff h ASN 60 Ca -0.41 -0.55 0.00 0.00 0.07 0.00 0.00 56.30 55.41 1cff h ASN 60 Cb 1.11 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 37.14 1cff h ASN 60 CO 0.61 1.16 0.00 0.61 0.07 0.00 0.00 177.43 179.89 1cff n GLY 61 N 0.43 -0.41 0.21 9.14 0.00 -1.26 -5.17 105.19 108.14 1cff n GLY 61 Ca -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.28 0.00 -2.41 2.61 -2.24 -1.26 -5.07 114.28 103.62 1cff n THR 62 Ca 0.00 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1cff n THR 62 Cb 0.00 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.58 4.06 0.08 2.28 -1.09 -1.06 -4.90 121.20 117.99 1cff s ILE 63 Ca 0.02 1.46 0.04 0.00 -2.23 0.00 0.00 60.65 59.94 1cff s ILE 63 Cb -0.00 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 1cff s ILE 63 CO 0.01 0.07 -0.12 -0.62 -1.23 0.00 0.00 174.94 173.06 1cff s ASP 64 N 1.24 1.50 0.30 3.58 2.15 -1.26 -2.32 116.67 121.86 1cff s ASP 64 Ca 0.58 -0.71 0.09 0.00 0.43 0.00 0.00 52.55 52.94 1cff s ASP 64 Cb -0.28 -0.02 0.91 0.00 -0.30 0.00 0.00 42.92 43.23 1cff s ASP 64 CO 0.27 -0.18 1.42 0.33 -0.17 0.00 0.00 175.17 176.84 1cff n PHE 65 N 0.92 0.77 0.06 -5.34 7.35 -1.26 -1.46 117.46 118.50 1cff n PHE 65 Ca -0.19 1.08 -0.02 0.00 -0.76 0.00 0.00 57.45 57.56 1cff n PHE 65 Cb 0.56 -1.30 -0.01 0.00 0.35 0.00 0.00 39.48 39.08 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 -0.16 -0.74 -7.13 0.11 -1.97 0.99 132.00 123.10 1cff h PRO 66 Ca 0.64 0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.92 1cff h PRO 66 Cb 1.50 0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.54 1cff h PRO 66 CO -0.78 -0.10 0.21 1.05 -0.21 0.00 0.00 178.00 178.16 1cff h GLU 67 N -0.22 0.29 -0.41 1.05 4.11 -1.81 0.31 114.58 117.91 1cff h GLU 67 Ca -0.02 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 59.29 1cff h GLU 67 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1cff h GLU 67 CO 0.03 0.19 -0.17 0.35 0.07 0.00 0.00 179.01 179.48 1cff h PHE 68 N 0.30 0.86 -0.45 2.06 3.04 -1.35 -2.52 116.94 118.88 1cff h PHE 68 Ca 0.42 -0.18 -0.02 0.00 3.98 0.00 0.00 57.97 62.17 1cff h PHE 68 Cb 0.71 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 1cff h PHE 68 CO -0.24 0.89 0.19 1.25 -2.02 0.00 0.00 178.31 178.38 1cff h LEU 69 N 0.68 0.61 0.87 0.59 5.85 0.20 -2.40 115.31 121.71 1cff h LEU 69 Ca 0.10 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1cff h LEU 69 Cb 0.67 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.55 1cff h LEU 69 CO 0.05 0.60 -0.42 0.71 -0.34 0.00 0.00 178.44 179.04 1cff h THR 70 N 0.58 0.14 -0.67 1.05 1.35 -0.38 0.97 112.91 115.95 1cff h THR 70 Ca 0.15 -0.01 0.14 0.00 -0.55 0.00 0.00 66.41 66.14 1cff h THR 70 Cb 0.17 0.15 -0.12 0.00 -1.73 0.00 0.00 68.15 66.61 1cff h THR 70 CO -0.01 0.00 -0.06 -0.03 -0.25 0.00 0.00 175.52 175.17 1cff h MET 71 N -1.17 0.06 -0.05 4.72 1.85 -1.45 0.97 114.93 119.85 1cff h MET 71 Ca -0.12 -0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 58.80 1cff h MET 71 Cb 0.89 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.90 1cff h MET 71 CO 0.20 0.04 -0.69 1.98 -0.40 0.00 0.00 176.91 178.04 1cff h MET 72 N 0.07 0.25 0.54 0.39 1.85 -1.32 -3.32 114.93 113.39 1cff h MET 72 Ca 0.35 -0.20 -0.03 0.00 -0.61 0.00 0.00 59.70 59.21 1cff h MET 72 Cb 0.57 0.04 0.01 0.00 0.43 0.00 0.00 31.60 32.65 1cff h MET 72 CO -0.63 0.85 -0.26 0.00 -0.40 0.00 0.00 176.91 176.47 1cff h ALA 73 N 1.10 -0.73 -2.01 0.39 0.00 0.38 -3.41 119.26 114.99 1cff h ALA 73 Ca -0.02 -0.18 -0.62 0.00 0.00 0.00 0.00 54.91 54.10 1cff h ALA 73 Cb 1.23 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 19.18 1cff h ALA 73 CO 0.11 -0.70 0.44 -0.98 0.00 0.00 0.00 179.25 178.12 1cff s ARG 74 N -4.16 3.46 -0.86 0.00 1.70 0.31 -4.94 118.95 114.45 1cff s ARG 74 Ca -0.12 0.00 -0.03 0.00 -0.47 0.00 0.00 55.73 55.12 1cff s ARG 74 Cb 0.01 -3.93 0.24 0.00 -0.57 0.00 0.00 34.95 30.70 1cff s ARG 74 CO 0.38 -1.15 2.22 0.36 -1.08 0.00 0.00 175.30 176.03 1cff n LYS 75 N 6.86 3.58 -3.55 3.89 2.85 -1.26 -4.66 118.16 125.87 1cff n LYS 75 Ca 0.04 -3.49 -0.38 0.00 -1.05 0.00 0.00 58.31 53.42 1cff n LYS 75 Cb 0.48 -2.34 -0.11 0.00 -0.65 0.00 0.00 35.03 32.42 1cff n LYS 75 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1cff s MET 76 N -3.12 3.90 -0.43 -1.58 -1.94 -1.26 -5.01 119.30 109.87 1cff s MET 76 Ca 0.51 -0.30 0.04 0.00 -1.71 0.00 0.00 55.69 54.23 1cff s MET 76 Cb 0.33 -3.68 0.17 0.00 2.01 0.00 0.00 34.83 33.66 1cff s MET 76 CO -0.25 -0.23 0.45 0.21 -0.01 0.00 0.00 175.02 175.19 1cff s LYS 77 N 1.81 0.86 0.08 2.03 2.47 -1.26 -5.13 119.74 120.60 1cff s LYS 77 Ca 0.08 -1.42 -0.04 0.00 -1.56 0.00 0.00 55.97 53.04 1cff s LYS 77 Cb -0.16 -0.82 0.02 0.00 -1.46 0.00 0.00 37.83 35.40 1cff s LYS 77 CO 0.11 -1.31 0.21 -0.40 0.16 0.00 0.00 175.35 174.12 1cff n ASP 78 N 3.34 -0.52 -2.64 1.43 5.68 -1.26 -5.08 116.55 117.51 1cff n ASP 78 Ca 0.20 -1.34 -0.10 0.00 -0.50 0.00 0.00 54.79 53.06 1cff n ASP 78 Cb 0.49 0.85 0.03 0.00 -1.14 0.00 0.00 41.12 41.36 1cff n ASP 78 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1cff n THR 79 N -0.14 1.40 -3.16 2.12 -2.24 -1.26 -5.07 114.28 105.92 1cff n THR 79 Ca -0.02 -3.35 -0.41 0.00 -2.27 0.00 0.00 64.05 58.00 1cff n THR 79 Cb 0.14 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.77 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 -3.44 6.48 -0.05 3.42 -4.77 -1.26 -4.90 116.67 112.15 1cff s ASP 80 Ca 0.32 0.49 0.08 0.00 -3.30 0.00 0.00 52.55 50.14 1cff s ASP 80 Cb 0.40 -2.31 0.12 0.00 -1.09 0.00 0.00 42.92 40.04 1cff s ASP 80 CO -0.02 -0.39 1.00 -1.54 0.70 0.00 0.00 175.17 174.92 1cff n SER 81 N 5.71 1.45 0.00 2.11 3.41 -1.26 -5.04 113.62 120.01 1cff n SER 81 Ca -0.02 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1cff n SER 81 Cb 0.49 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1cff n SER 81 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1cff n GLU 82 N -0.71 0.00 -2.38 4.33 2.13 -1.26 -4.81 120.64 117.93 1cff n GLU 82 Ca 0.07 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.88 1cff n GLU 82 Cb 0.54 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.24 1cff n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1cff n GLU 83 N 0.00 -4.98 -0.96 5.31 2.13 -1.26 -4.90 120.64 115.98 1cff n GLU 83 Ca 0.00 3.62 0.09 0.00 0.66 0.00 0.00 57.16 61.53 1cff n GLU 83 Cb 0.00 -4.63 -0.05 0.00 0.27 0.00 0.00 31.44 27.03 1cff n GLU 83 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1cff n GLU 84 N 1.86 -2.28 -2.11 5.31 4.71 -1.26 -4.69 120.64 122.17 1cff n GLU 84 Ca -0.05 1.85 -0.04 0.00 -0.01 0.00 0.00 57.16 58.91 1cff n GLU 84 Cb 0.07 -2.57 -0.01 0.00 -1.01 0.00 0.00 31.44 27.92 1cff n GLU 84 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1cff n ILE 85 N -3.30 -0.15 0.16 -3.67 -0.00 -1.26 -4.71 119.36 106.42 1cff n ILE 85 Ca -0.05 0.00 0.09 0.00 -0.00 0.00 0.00 62.75 62.79 1cff n ILE 85 Cb 0.43 -0.57 0.08 0.00 -0.00 0.00 0.00 39.64 39.58 1cff n ILE 85 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 1cff h ARG 86 N 0.00 0.00 0.02 6.28 2.43 -1.91 -1.21 114.38 119.99 1cff h ARG 86 Ca -0.10 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.69 1cff h ARG 86 Cb 0.86 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 1cff h ARG 86 CO 0.12 0.11 -2.17 -0.85 -1.51 0.00 0.00 179.97 175.67 1cff n GLU 87 N -3.00 0.62 0.31 0.20 0.00 -1.26 -2.64 120.64 114.87 1cff n GLU 87 Ca 0.02 0.31 0.18 0.00 0.00 0.00 0.00 57.16 57.67 1cff n GLU 87 Cb 0.59 -1.59 0.96 0.00 0.00 0.00 0.00 31.44 31.40 1cff n GLU 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1cff h ALA 88 N -0.52 1.33 0.06 -1.84 0.00 -1.94 1.81 119.26 118.17 1cff h ALA 88 Ca -0.56 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 1cff h ALA 88 Cb 1.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1cff h ALA 88 CO -0.23 -0.23 -0.89 0.35 0.00 0.00 0.00 179.25 178.24 1cff h PHE 89 N 0.00 0.23 0.00 0.00 3.57 -1.32 -2.56 116.94 116.86 1cff h PHE 89 Ca 0.02 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 1cff h PHE 89 Cb 0.43 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1cff h PHE 89 CO 0.00 1.35 -0.14 -0.09 -2.23 0.00 0.00 178.31 177.20 1cff h ARG 90 N -0.68 0.00 0.13 1.11 9.65 -0.80 -1.60 114.38 122.19 1cff h ARG 90 Ca -0.21 0.00 -0.28 0.00 -1.10 0.00 0.00 59.98 58.39 1cff h ARG 90 Cb 1.42 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 30.01 1cff h ARG 90 CO -0.01 0.14 -1.24 -0.24 2.80 0.00 0.00 179.97 181.42 1cff h VAL 91 N 0.00 1.45 -0.01 0.20 3.04 0.26 -3.29 116.25 117.90 1cff h VAL 91 Ca -0.00 -2.91 0.00 0.00 -1.01 0.00 0.00 66.70 62.78 1cff h VAL 91 Cb 0.99 2.89 0.00 0.00 -2.01 0.00 0.00 31.29 33.15 1cff h VAL 91 CO 0.02 0.86 -0.43 0.49 -1.01 0.00 0.00 177.57 177.50 1cff n PHE 92 N -3.60 0.00 0.84 3.17 3.01 -0.96 -3.93 117.46 115.98 1cff n PHE 92 Ca -0.10 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.49 1cff n PHE 92 Cb 1.01 -0.13 0.43 0.00 -0.01 0.00 0.00 39.48 40.78 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 -0.89 0.40 0.00 4.37 -0.08 -0.61 -4.65 116.55 115.10 1cff n ASP 93 Ca 0.09 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1cff n ASP 93 Cb 0.36 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.48 1cff n ASP 93 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cff n LYS 94 N -1.78 0.00 -0.08 -0.67 4.81 -1.25 0.69 118.16 119.88 1cff n LYS 94 Ca 0.06 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.43 1cff n LYS 94 Cb 0.38 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.42 1cff n LYS 94 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1cff h ASP 95 N 0.00 -0.14 0.00 3.14 3.04 -1.94 -3.47 116.42 117.04 1cff h ASP 95 Ca 0.00 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 1cff h ASP 95 Cb 0.00 0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.42 1cff h ASP 95 CO 0.00 -0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.77 1cff n GLY 96 N -1.23 0.49 0.84 7.15 0.00 0.22 -5.09 105.19 107.57 1cff n GLY 96 Ca -0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 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 0.73 0.00 1.61 4.13 -1.26 -5.06 115.26 115.42 1cff n ASN 97 Ca 0.00 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1cff n ASN 97 Cb 0.00 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 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 2.83 1.26 3.84 7.41 0.00 -1.26 -5.12 105.19 114.15 1cff n GLY 98 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.30 3.30 -0.58 1.61 2.02 -1.26 -4.38 117.35 117.75 1cff s TYR 99 Ca 0.00 0.09 0.04 0.00 -0.37 0.00 0.00 57.07 56.84 1cff s TYR 99 Cb 0.00 -1.63 0.14 0.00 -0.40 0.00 0.00 41.96 40.08 1cff s TYR 99 CO 0.00 0.53 0.34 0.42 -1.57 0.00 0.00 175.55 175.27 1cff s ILE 100 N -1.59 2.70 0.01 2.71 1.01 -1.08 -4.85 121.20 120.12 1cff s ILE 100 Ca 0.32 -3.65 -0.23 0.00 0.00 0.00 0.00 60.65 57.09 1cff s ILE 100 Cb -0.11 -2.84 -0.13 0.00 0.01 0.00 0.00 42.46 39.39 1cff s ILE 100 CO 0.25 -0.87 1.08 -1.28 0.00 0.00 0.00 174.94 174.12 1cff h SER 101 N 6.12 -0.69 0.00 3.58 0.87 -1.93 -3.37 113.55 118.12 1cff h SER 101 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1cff h SER 101 Cb 0.84 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1cff h SER 101 CO 0.70 -0.39 0.00 0.00 -0.53 0.00 0.00 176.83 176.61 1cff n ALA 102 N -2.57 0.00 -0.02 6.23 0.00 -1.26 -4.73 120.51 118.15 1cff n ALA 102 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1cff n ALA 102 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.40 -0.86 0.00 0.00 -1.97 1.92 119.26 117.95 1cff h ALA 103 Ca 0.00 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.12 1cff h ALA 103 Cb 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 17.79 18.44 1cff h ALA 103 CO 0.00 -0.44 0.33 1.05 0.00 0.00 0.00 179.25 180.19 1cff h GLU 104 N -0.08 0.35 0.58 0.00 9.09 -1.93 0.70 114.58 123.29 1cff h GLU 104 Ca 0.01 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.37 1cff h GLU 104 Cb 0.11 -0.08 0.01 0.00 -1.65 0.00 0.00 28.75 27.14 1cff h GLU 104 CO -0.11 0.23 -0.28 -0.07 0.05 0.00 0.00 179.01 178.84 1cff h LEU 105 N 0.36 -0.66 -0.45 3.06 -0.00 -1.46 0.22 115.31 116.37 1cff h LEU 105 Ca 0.53 -0.02 0.09 0.00 -0.00 0.00 0.00 57.88 58.48 1cff h LEU 105 Cb 0.99 0.17 -0.08 0.00 -0.00 0.00 0.00 40.66 41.74 1cff h LEU 105 CO -0.54 -0.39 -0.08 -0.09 -0.00 0.00 0.00 178.44 177.35 1cff h ARG 106 N -0.90 0.03 0.29 1.13 1.12 0.46 1.76 114.38 118.28 1cff h ARG 106 Ca -0.08 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.77 1cff h ARG 106 Cb 0.64 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 1cff h ARG 106 CO 0.13 0.02 -0.14 1.25 -3.11 0.00 0.00 179.97 178.12 1cff h HIS 107 N 0.03 -0.37 0.10 2.20 2.76 0.43 -2.30 115.15 118.01 1cff h HIS 107 Ca 0.22 -0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 58.20 1cff h HIS 107 Cb 0.34 0.12 0.02 0.00 1.55 0.00 0.00 27.41 29.44 1cff h HIS 107 CO -0.36 -0.08 -0.78 -0.39 -1.30 0.00 0.00 177.93 175.02 1cff h VAL 108 N -0.63 1.47 0.00 5.26 -1.51 -0.33 -2.82 116.25 117.69 1cff h VAL 108 Ca -0.04 -2.38 -0.00 0.00 -1.23 0.00 0.00 66.70 63.05 1cff h VAL 108 Cb 0.45 2.97 -0.00 0.00 -2.13 0.00 0.00 31.29 32.58 1cff h VAL 108 CO 0.07 0.68 -0.00 -0.03 -1.23 0.00 0.00 177.57 177.06 1cff h MET 109 N -0.24 0.00 0.09 5.19 -1.53 0.26 1.27 114.93 119.96 1cff h MET 109 Ca -0.12 0.00 -0.32 0.00 -3.44 0.00 0.00 59.70 55.81 1cff h MET 109 Cb 1.55 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 32.58 1cff h MET 109 CO 0.15 0.00 -1.76 0.00 0.14 0.00 0.00 176.91 175.44 1cff h THR 110 N 0.00 0.86 0.00 -0.77 1.03 -1.47 -2.95 112.91 109.62 1cff h THR 110 Ca -0.00 -2.60 -0.12 0.00 -0.01 0.00 0.00 66.41 63.68 1cff h THR 110 Cb 0.36 2.56 -0.02 0.00 -1.07 0.00 0.00 68.15 69.99 1cff h THR 110 CO 0.00 0.75 -0.64 0.78 -0.01 0.00 0.00 175.52 176.40 1cff h ASN 111 N 0.05 0.00 0.15 0.00 4.21 -1.19 -3.24 115.58 115.57 1cff h ASN 111 Ca -0.32 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.16 1cff h ASN 111 Cb 2.02 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.22 1cff h ASN 111 CO 0.11 0.57 -0.13 -0.07 -1.29 0.00 0.00 177.43 176.62 1cff h LEU 112 N 0.00 0.00 0.00 1.61 3.38 0.15 -3.46 115.31 116.99 1cff h LEU 112 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1cff h LEU 112 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1cff h LEU 112 CO 0.07 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1cff n GLY 113 N -1.10 2.38 3.84 0.83 0.00 -1.22 -5.07 105.19 104.84 1cff n GLY 113 Ca -0.03 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1cff n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cff s GLU 114 N 0.00 -0.04 -0.30 1.61 0.41 -1.11 -5.00 118.70 114.26 1cff s GLU 114 Ca 0.00 -0.38 0.13 0.00 -0.41 0.00 0.00 54.97 54.31 1cff s GLU 114 Cb 0.00 -1.76 0.47 0.00 -1.78 0.00 0.00 34.13 31.06 1cff s GLU 114 CO 0.00 -2.88 1.14 0.36 -0.49 0.00 0.00 175.26 173.39 1cff n LYS 115 N -4.10 2.80 -2.01 1.61 2.85 -1.26 -4.11 118.16 113.94 1cff n LYS 115 Ca 0.16 -3.93 -0.29 0.00 -1.05 0.00 0.00 58.31 53.20 1cff n LYS 115 Cb 0.59 -1.98 -0.05 0.00 -0.65 0.00 0.00 35.03 32.95 1cff n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1cff s LEU 116 N -3.62 3.19 1.28 -5.58 1.43 -1.26 -4.96 118.68 109.16 1cff s LEU 116 Ca 0.41 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.99 1cff s LEU 116 Cb 0.38 -2.55 0.29 0.00 0.03 0.00 0.00 46.19 44.35 1cff s LEU 116 CO -0.01 -2.72 0.69 0.35 0.23 0.00 0.00 176.35 174.88 1cff n THR 117 N 7.76 0.00 0.22 5.49 -2.24 -1.26 -4.24 114.28 120.01 1cff n THR 117 Ca 0.35 -0.14 0.18 0.00 -2.27 0.00 0.00 64.05 62.17 1cff n THR 117 Cb 0.48 -0.84 0.85 0.00 -2.10 0.00 0.00 70.33 68.72 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 -3.11 0.00 0.06 3.42 1.82 -1.94 -0.76 116.42 115.91 1cff h ASP 118 Ca -0.43 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.21 1cff h ASP 118 Cb 1.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1cff h ASP 118 CO 0.29 0.00 -0.03 -0.33 -1.61 0.00 0.00 179.24 177.56 1cff h GLU 119 N 0.00 -0.08 -0.41 0.28 5.08 -1.99 -2.43 114.58 115.04 1cff h GLU 119 Ca 0.08 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1cff h GLU 119 Cb 0.55 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 1cff h GLU 119 CO -0.00 0.30 -0.10 0.93 -1.00 0.00 0.00 179.01 179.13 1cff h GLU 120 N -0.98 -0.00 -0.03 2.33 4.39 -1.67 0.78 114.58 119.40 1cff h GLU 120 Ca -0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1cff h GLU 120 Cb 0.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1cff h GLU 120 CO 0.01 -0.00 -0.17 -0.24 -1.16 0.00 0.00 179.01 177.46 1cff h VAL 121 N -0.00 1.14 0.30 3.13 3.04 -1.30 -0.05 116.25 122.50 1cff h VAL 121 Ca 0.20 -0.63 -0.01 0.00 -1.01 0.00 0.00 66.70 65.24 1cff h VAL 121 Cb 0.30 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 1cff h VAL 121 CO -0.42 0.18 -0.25 -0.78 -1.01 0.00 0.00 177.57 175.29 1cff h ASP 122 N 0.04 -0.67 -0.55 3.17 1.82 -0.32 0.10 116.42 120.01 1cff h ASP 122 Ca 0.01 0.05 -0.09 0.00 -0.39 0.00 0.00 57.03 56.61 1cff h ASP 122 Cb 0.32 0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 1cff h ASP 122 CO 0.02 -0.35 0.01 -0.33 -1.61 0.00 0.00 179.24 176.99 1cff h GLU 123 N -0.54 0.99 -0.07 0.28 5.08 -1.44 -1.58 114.58 117.30 1cff h GLU 123 Ca -0.04 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1cff h GLU 123 Cb 0.45 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 1cff h GLU 123 CO -0.00 0.97 -0.34 1.98 -1.00 0.00 0.00 179.01 180.62 1cff h MET 124 N 0.92 -0.43 0.00 2.33 4.05 -0.89 0.81 114.93 121.72 1cff h MET 124 Ca 0.17 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1cff h MET 124 Cb 0.51 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.41 1cff h MET 124 CO 0.03 -0.29 -0.14 0.82 0.23 0.00 0.00 176.91 177.55 1cff h ILE 125 N -0.45 0.58 -0.16 1.77 1.08 -0.72 -0.00 117.51 119.61 1cff h ILE 125 Ca 0.08 -0.66 -0.08 0.00 -0.39 0.00 0.00 64.86 63.81 1cff h ILE 125 Cb 0.57 1.43 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1cff h ILE 125 CO -0.32 0.14 -0.23 0.03 -0.69 0.00 0.00 178.15 177.08 1cff h ARG 126 N 0.00 0.43 -0.10 2.37 3.08 0.26 0.45 114.38 120.87 1cff h ARG 126 Ca -0.00 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.72 1cff h ARG 126 Cb 0.42 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1cff h ARG 126 CO 0.02 0.84 -0.26 0.93 -1.07 0.00 0.00 179.97 180.43 1cff h GLU 127 N 0.06 0.18 -0.08 0.04 5.08 0.10 -2.23 114.58 117.74 1cff h GLU 127 Ca 0.02 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.12 1cff h GLU 127 Cb 0.79 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1cff h GLU 127 CO 0.05 0.44 -0.76 0.00 -1.00 0.00 0.00 179.01 177.73 1cff h ALA 128 N 1.57 0.51 -0.25 3.43 0.00 -0.76 -3.40 119.26 120.36 1cff h ALA 128 Ca 0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1cff h ALA 128 Cb 0.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1cff h ALA 128 CO 0.04 0.75 0.09 -3.47 0.00 0.00 0.00 179.25 176.67 1cff n ASP 129 N -3.85 1.49 0.00 0.00 2.03 0.16 -4.79 116.55 111.59 1cff n ASP 129 Ca -0.05 -1.74 0.00 0.00 0.52 0.00 0.00 54.79 53.51 1cff n ASP 129 Cb 0.73 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 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 8.71 0.00 -0.39 5.18 -0.00 -1.26 -3.51 119.36 128.09 1cff n ILE 130 Ca 0.45 0.98 0.31 0.00 -0.00 0.00 0.00 62.75 64.50 1cff n ILE 130 Cb 0.43 -1.85 0.59 0.00 -0.00 0.00 0.00 39.64 38.81 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 0.32 -3.70 4.38 3.04 -1.94 -3.46 116.42 115.07 1cff h ASP 131 Ca 0.00 0.13 -0.02 0.00 -3.24 0.00 0.00 57.03 53.90 1cff h ASP 131 Cb 0.00 0.10 0.02 0.00 -1.04 0.00 0.00 39.33 38.40 1cff h ASP 131 CO 0.00 -0.10 -0.07 0.61 -2.04 0.00 0.00 179.24 177.64 1cff n GLY 132 N -1.48 -0.34 0.04 7.15 0.00 -1.23 -4.99 105.19 104.34 1cff n GLY 132 Ca 0.33 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.43 0.36 0.00 1.61 8.00 -1.26 -4.96 116.55 118.86 1cff n ASP 133 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1cff n ASP 133 Cb 0.51 1.55 0.00 0.00 -0.02 0.00 0.00 41.12 43.16 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 1.54 0.98 0.00 0.44 0.00 -1.26 -5.09 105.19 101.80 1cff n GLY 134 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -3.66 1.61 0.00 -1.26 -5.04 117.38 109.02 1cff n GLN 135 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.71 1cff n GLN 135 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.09 1cff n GLN 135 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1cff s VAL 136 N 1.44 0.53 -0.00 1.69 1.01 -1.26 -4.56 120.40 119.25 1cff s VAL 136 Ca 0.00 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 60.62 1cff s VAL 136 Cb 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1cff s VAL 136 CO 0.00 -0.69 0.57 0.54 0.00 0.00 0.00 175.10 175.52 1cff s ASN 137 N 1.79 6.95 0.53 3.32 2.20 -1.26 -2.62 114.94 125.85 1cff s ASN 137 Ca 0.09 1.13 0.47 0.00 -0.94 0.00 0.00 52.86 53.62 1cff s ASN 137 Cb -0.17 -2.35 1.66 0.00 -2.00 0.00 0.00 41.25 38.40 1cff s ASN 137 CO -0.29 0.14 1.51 0.00 -2.94 0.00 0.00 177.10 175.52 1cff n TYR 138 N 2.59 0.07 -0.34 1.54 9.36 -1.26 0.29 117.16 129.41 1cff n TYR 138 Ca -0.08 0.07 0.21 0.00 3.32 0.00 0.00 57.90 61.42 1cff n TYR 138 Cb 0.51 -0.55 0.43 0.00 -0.63 0.00 0.00 39.34 39.11 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 0.45 0.19 2.98 -0.00 -1.96 0.25 114.58 116.48 1cff h GLU 139 Ca 0.91 -0.03 -0.31 0.00 -0.00 0.00 0.00 59.36 59.93 1cff h GLU 139 Cb 3.59 -0.10 0.02 0.00 -0.00 0.00 0.00 28.75 32.26 1cff h GLU 139 CO -0.05 0.30 -1.46 0.93 -0.00 0.00 0.00 179.01 178.72 1cff h GLU 140 N 0.46 0.40 -0.39 1.06 5.08 -0.55 -2.68 114.58 117.96 1cff h GLU 140 Ca 0.68 -0.69 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1cff h GLU 140 Cb 1.45 0.26 -0.09 0.00 0.50 0.00 0.00 28.75 30.87 1cff h GLU 140 CO -0.51 1.33 -0.50 0.35 -1.00 0.00 0.00 179.01 178.68 1cff h PHE 141 N -0.03 -1.49 -0.17 4.33 3.57 -0.58 0.82 116.94 123.40 1cff h PHE 141 Ca -0.28 0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.21 1cff h PHE 141 Cb 1.99 0.70 -0.00 0.00 2.79 0.00 0.00 35.95 41.43 1cff h PHE 141 CO 0.13 -0.47 -0.24 -0.39 -2.23 0.00 0.00 178.31 175.11 1cff h VAL 142 N -0.38 1.35 -0.48 1.41 -1.51 -0.95 -2.73 116.25 112.96 1cff h VAL 142 Ca 0.10 -1.45 0.14 0.00 -1.23 0.00 0.00 66.70 64.27 1cff h VAL 142 Cb 0.60 1.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.62 1cff h VAL 142 CO -0.58 0.43 0.35 1.56 -1.23 0.00 0.00 177.57 178.10 1cff h GLN 143 N 0.10 0.00 0.17 5.19 1.08 -1.05 1.38 115.11 121.98 1cff h GLN 143 Ca 0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1cff h GLN 143 Cb 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1cff h GLN 143 CO 0.06 0.00 -0.08 0.52 -0.95 0.00 0.00 178.83 178.37 1cff h MET 144 N 0.00 -0.22 0.03 1.46 2.86 0.78 -2.75 114.93 117.10 1cff h MET 144 Ca 0.23 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1cff h MET 144 Cb 0.92 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1cff h MET 144 CO -0.00 0.01 -0.02 1.98 1.06 0.00 0.00 176.91 179.94 1cff h MET 145 N -1.02 -0.04 -0.00 1.72 1.85 -1.16 -3.39 114.93 112.88 1cff h MET 145 Ca -0.02 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1cff h MET 145 Cb 0.34 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.37 1cff h MET 145 CO 0.04 -0.03 -0.00 1.79 -0.40 0.00 0.00 176.91 178.31 1cff h THR 146 N -0.90 1.36 -3.40 -0.77 1.35 0.10 -3.50 112.91 107.17 1cff h THR 146 Ca -0.00 -1.07 0.34 0.00 -0.55 0.00 0.00 66.41 65.12 1cff h THR 146 Cb 0.03 2.08 -0.17 0.00 -1.73 0.00 0.00 68.15 68.36 1cff h THR 146 CO 0.01 0.28 -1.14 0.00 -0.25 0.00 0.00 175.52 174.42 1cff n ALA 147 N -2.33 -3.71 -0.44 6.62 0.00 0.37 -4.93 120.51 116.09 1cff n ALA 147 Ca -0.08 0.85 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1cff n ALA 147 Cb 0.24 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13