#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 6.69 -0.17 0.00 1.11 -1.26 -5.02 116.67 118.01 1cff s ASP 2 Ca 0.00 2.66 0.01 0.00 0.18 0.00 0.00 52.55 55.40 1cff s ASP 2 Cb 0.00 -2.64 0.02 0.00 1.07 0.00 0.00 42.92 41.36 1cff s ASP 2 CO 0.00 -0.59 -0.19 0.00 1.18 0.00 0.00 175.17 175.57 1cff s GLN 3 N -1.89 3.03 -0.03 8.23 -2.07 -1.26 -4.95 119.66 120.72 1cff s GLN 3 Ca 0.51 -0.82 0.04 0.00 -1.82 0.00 0.00 55.36 53.27 1cff s GLN 3 Cb -0.39 -2.58 0.06 0.00 -1.09 0.00 0.00 33.01 29.01 1cff s GLN 3 CO 0.51 -0.16 0.89 1.47 -1.32 0.00 0.00 175.29 176.68 1cff n LEU 4 N 4.51 1.16 -1.63 2.60 -0.00 -1.26 -5.12 117.00 117.26 1cff n LEU 4 Ca -0.21 -1.48 0.00 0.00 -0.00 0.00 0.00 56.01 54.32 1cff n LEU 4 Cb 0.50 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1cff n LEU 4 CO 0.27 0.36 -0.40 0.35 -0.00 0.00 0.00 177.39 177.97 1cff n THR 5 N -0.46 -4.60 0.60 1.47 -2.24 -1.26 -4.37 114.28 103.42 1cff n THR 5 Ca 0.03 2.12 0.12 0.00 -2.27 0.00 0.00 64.05 64.04 1cff n THR 5 Cb 0.48 -2.88 0.11 0.00 -2.10 0.00 0.00 70.33 65.93 1cff n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cff n GLU 6 N -0.68 0.27 0.12 -0.78 1.02 -1.26 -3.68 120.64 115.65 1cff n GLU 6 Ca 0.00 0.04 -0.05 0.00 -0.02 0.00 0.00 57.16 57.13 1cff n GLU 6 Cb 0.00 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 29.77 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 -0.33 -0.02 3.49 3.07 -1.99 -2.15 114.58 116.66 1cff h GLU 7 Ca 0.00 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1cff h GLU 7 Cb 0.72 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1cff h GLU 7 CO 0.00 -0.22 -0.03 1.96 -1.40 0.00 0.00 179.01 179.32 1cff h GLN 8 N -0.56 0.06 -0.89 2.33 4.20 -1.88 -2.98 115.11 115.39 1cff h GLN 8 Ca -0.03 -0.03 0.22 0.00 0.06 0.00 0.00 58.65 58.86 1cff h GLN 8 Cb 0.26 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1cff h GLN 8 CO 0.06 0.59 0.60 0.97 -0.67 0.00 0.00 178.83 180.38 1cff h ILE 9 N -0.47 0.64 -0.88 2.54 -0.00 -1.74 0.81 117.51 118.40 1cff h ILE 9 Ca 0.00 -0.09 0.11 0.00 -0.00 0.00 0.00 64.86 64.88 1cff h ILE 9 Cb 0.59 0.34 -0.07 0.00 -0.00 0.00 0.00 36.82 37.68 1cff h ILE 9 CO 0.01 0.05 0.57 0.00 -0.00 0.00 0.00 178.15 178.78 1cff h ALA 10 N 1.60 1.69 -0.33 0.18 0.00 -1.22 0.26 119.26 121.45 1cff h ALA 10 Ca 0.45 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.41 1cff h ALA 10 Cb 1.33 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1cff h ALA 10 CO -0.13 0.12 0.08 0.93 0.00 0.00 0.00 179.25 180.25 1cff h GLU 11 N 0.83 0.20 -0.63 0.00 4.39 0.61 0.80 114.58 120.78 1cff h GLU 11 Ca 0.42 -0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.25 1cff h GLU 11 Cb 0.48 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1cff h GLU 11 CO -0.18 0.13 0.44 0.35 -1.16 0.00 0.00 179.01 178.59 1cff h PHE 12 N 0.21 0.23 -0.29 4.33 3.57 -0.45 0.82 116.94 125.37 1cff h PHE 12 Ca 0.15 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.53 1cff h PHE 12 Cb 0.15 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1cff h PHE 12 CO -0.16 0.09 -0.36 -0.22 -2.23 0.00 0.00 178.31 175.43 1cff h LYS 13 N 0.20 0.65 -1.02 1.11 3.11 0.20 -1.62 116.57 119.21 1cff h LYS 13 Ca 0.30 -0.31 0.25 0.00 -2.81 0.00 0.00 60.65 58.08 1cff h LYS 13 Cb 0.92 -0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 32.04 1cff h LYS 13 CO -0.06 0.91 0.64 1.05 -2.81 0.00 0.00 179.45 179.19 1cff h GLU 14 N 0.55 0.47 0.20 1.90 4.11 0.50 1.00 114.58 123.31 1cff h GLU 14 Ca 0.05 -0.03 -0.31 0.00 0.07 0.00 0.00 59.36 59.14 1cff h GLU 14 Cb 0.87 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 30.04 1cff h GLU 14 CO 0.08 0.31 -1.38 0.00 0.07 0.00 0.00 179.01 178.09 1cff h ALA 15 N 1.64 -0.06 -0.18 1.06 0.00 -1.28 -1.45 119.26 119.00 1cff h ALA 15 Ca 0.59 -0.86 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1cff h ALA 15 Cb 1.34 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1cff h ALA 15 CO -0.32 0.79 0.15 0.35 0.00 0.00 0.00 179.25 180.22 1cff h PHE 16 N 0.14 0.00 0.00 0.00 3.57 0.16 2.12 116.94 122.93 1cff h PHE 16 Ca -0.21 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 60.99 1cff h PHE 16 Cb 2.08 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.76 1cff h PHE 16 CO 0.11 0.00 -1.90 -1.13 -2.23 0.00 0.00 178.31 173.15 1cff n SER 17 N -4.16 0.59 -0.07 0.41 3.41 0.25 -3.75 113.62 110.30 1cff n SER 17 Ca 0.01 0.28 -0.19 0.00 -0.26 0.00 0.00 58.87 58.71 1cff n SER 17 Cb 0.28 0.31 -0.13 0.00 -0.26 0.00 0.00 64.21 64.42 1cff n SER 17 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1cff h LEU 18 N 0.00 0.08 -1.92 1.04 4.07 -0.24 -3.29 115.31 115.06 1cff h LEU 18 Ca -0.35 -0.76 0.16 0.00 0.08 0.00 0.00 57.88 57.00 1cff h LEU 18 Cb 2.04 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 43.73 1cff h LEU 18 CO 0.06 1.33 0.53 0.15 -1.08 0.00 0.00 178.44 179.44 1cff h PHE 19 N -0.85 0.00 0.00 1.13 3.57 0.32 1.21 116.94 122.32 1cff h PHE 19 Ca -0.21 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.22 1cff h PHE 19 Cb 1.29 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1cff h PHE 19 CO 0.17 0.00 -0.36 0.22 -2.23 0.00 0.00 178.31 176.11 1cff h ASP 20 N 0.00 0.00 -6.47 0.41 3.58 -1.65 -3.45 116.42 108.84 1cff h ASP 20 Ca 0.26 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 57.22 1cff h ASP 20 Cb 1.32 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.40 1cff h ASP 20 CO -0.00 0.36 -0.95 1.17 -2.88 0.00 0.00 179.24 176.94 1cff n LYS 21 N -3.60 -1.37 0.00 0.28 0.00 0.42 -4.64 118.16 109.25 1cff n LYS 21 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 58.31 58.65 1cff n LYS 21 Cb 0.48 -3.80 0.00 0.00 0.00 0.00 0.00 35.03 31.71 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 -2.61 0.00 -1.02 3.14 5.75 -1.26 -4.99 116.55 115.55 1cff n ASP 22 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1cff n ASP 22 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 -0.35 0.52 0.08 6.12 0.00 -1.26 -5.01 105.19 105.29 1cff n GLY 23 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.02 2.50 0.00 1.61 2.03 -1.26 -5.03 116.55 115.37 1cff n ASP 24 Ca 0.00 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1cff n ASP 24 Cb 0.48 0.00 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 2.59 0.94 3.59 0.27 0.00 -1.26 -5.08 105.19 106.23 1cff n GLY 25 Ca -0.27 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 -0.00 -0.63 2.61 -4.23 -1.26 -4.63 115.64 105.50 1cff s THR 26 Ca 0.00 0.01 -0.22 0.00 -1.18 0.00 0.00 61.69 60.31 1cff s THR 26 Cb 0.00 -0.94 0.07 0.00 1.34 0.00 0.00 72.50 72.97 1cff s THR 26 CO 0.00 0.01 0.89 -0.63 -0.54 0.00 0.00 174.62 174.35 1cff s ILE 27 N 1.60 4.46 0.46 2.99 -1.09 -0.93 -4.84 121.20 123.85 1cff s ILE 27 Ca -0.10 -0.44 0.07 0.00 -2.23 0.00 0.00 60.65 57.94 1cff s ILE 27 Cb -0.05 -4.61 -0.01 0.00 -1.58 0.00 0.00 42.46 36.20 1cff s ILE 27 CO -0.19 -1.33 0.32 -0.89 -1.23 0.00 0.00 174.94 171.62 1cff s THR 28 N 3.71 2.16 0.65 2.92 2.01 -1.26 -1.73 115.64 124.09 1cff s THR 28 Ca 0.20 -1.51 0.36 0.00 0.31 0.00 0.00 61.69 61.05 1cff s THR 28 Cb -0.18 -2.67 0.38 0.00 0.01 0.00 0.00 72.50 70.03 1cff s THR 28 CO 0.10 0.00 2.16 0.71 -0.69 0.00 0.00 174.62 176.90 1cff h THR 29 N 1.05 0.11 0.87 -0.82 1.35 -1.93 -0.19 112.91 113.34 1cff h THR 29 Ca -0.40 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.42 1cff h THR 29 Cb 1.28 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1cff h THR 29 CO 0.61 0.00 -0.49 0.50 -0.25 0.00 0.00 175.52 175.90 1cff h LYS 30 N 0.00 -1.21 0.11 4.72 3.64 -1.97 0.67 116.57 122.53 1cff h LYS 30 Ca 0.02 0.08 -0.23 0.00 -1.27 0.00 0.00 60.65 59.25 1cff h LYS 30 Cb 0.33 0.27 0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1cff h LYS 30 CO -0.00 -0.81 -0.95 1.05 -2.27 0.00 0.00 179.45 176.47 1cff h GLU 31 N -1.25 0.45 -0.97 1.90 9.09 -1.71 -2.69 114.58 119.39 1cff h GLU 31 Ca -0.12 -0.63 0.02 0.00 0.05 0.00 0.00 59.36 58.68 1cff h GLU 31 Cb 0.99 0.21 -0.05 0.00 -1.65 0.00 0.00 28.75 28.25 1cff h GLU 31 CO 0.15 1.27 0.64 1.25 0.05 0.00 0.00 179.01 182.37 1cff h LEU 32 N -0.06 1.09 -0.65 3.06 5.85 -1.11 -1.98 115.31 121.52 1cff h LEU 32 Ca -0.15 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.42 1cff h LEU 32 Cb 1.69 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 1cff h LEU 32 CO 0.18 0.78 -0.37 1.23 -0.34 0.00 0.00 178.44 179.92 1cff h GLY 33 N 1.28 0.70 0.27 3.75 0.00 0.30 -1.72 103.07 107.65 1cff h GLY 33 Ca 0.37 -0.68 0.05 0.00 0.00 0.00 0.00 47.33 47.07 1cff h GLY 33 CO -0.09 0.61 -0.24 -0.84 0.00 0.00 0.00 176.54 175.98 1cff h THR 34 N 0.53 0.42 -0.31 4.70 2.02 -1.01 0.15 112.91 119.41 1cff h THR 34 Ca 0.05 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 1cff h THR 34 Cb 0.89 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1cff h THR 34 CO 0.08 0.00 -0.29 0.58 0.37 0.00 0.00 175.52 176.26 1cff h VAL 35 N -0.30 1.28 0.00 3.16 2.07 -1.50 -2.22 116.25 118.75 1cff h VAL 35 Ca 0.11 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1cff h VAL 35 Cb 0.46 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1cff h VAL 35 CO -0.32 0.45 0.00 0.80 0.02 0.00 0.00 177.57 178.52 1cff n MET 36 N -4.09 0.06 -0.13 1.57 1.56 -0.62 0.88 117.12 116.36 1cff n MET 36 Ca -0.01 0.36 -0.19 0.00 -0.27 0.00 0.00 57.70 57.60 1cff n MET 36 Cb 0.45 -1.63 -0.12 0.00 2.15 0.00 0.00 33.22 34.07 1cff n MET 36 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1cff n ARG 37 N -1.75 0.65 0.03 2.12 0.63 0.41 0.21 116.66 118.97 1cff n ARG 37 Ca 0.02 0.16 0.12 0.00 -0.92 0.00 0.00 57.85 57.23 1cff n ARG 37 Cb 0.15 -1.52 0.12 0.00 0.45 0.00 0.00 32.46 31.66 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1cff n SER 38 N -3.32 0.63 0.02 6.15 7.64 -0.88 -4.26 113.62 119.61 1cff n SER 38 Ca -0.46 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1cff n SER 38 Cb 0.98 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 1cff n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cff n LEU 39 N -1.91 0.04 0.16 -3.43 4.32 0.25 -4.83 117.00 111.60 1cff n LEU 39 Ca 0.03 0.08 0.11 0.00 -0.02 0.00 0.00 56.01 56.21 1cff n LEU 39 Cb 0.41 0.04 0.57 0.00 -1.62 0.00 0.00 43.42 42.82 1cff n LEU 39 CO 0.38 -0.56 0.83 0.61 -1.22 0.00 0.00 177.39 177.43 1cff n GLY 40 N 2.12 -0.89 3.29 -0.72 0.00 0.53 -4.70 105.19 104.82 1cff n GLY 40 Ca 0.00 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1cff n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cff n GLN 41 N -2.24 0.00 0.09 1.61 10.64 0.58 -4.00 117.38 124.06 1cff n GLN 41 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1cff n GLN 41 Cb 0.05 -1.04 0.00 0.00 -0.86 0.00 0.00 30.24 28.39 1cff n GLN 41 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1cff n ASN 42 N 6.16 -1.61 -3.30 2.61 5.03 -1.26 -5.02 115.26 117.86 1cff n ASN 42 Ca 0.63 0.38 0.00 0.00 0.87 0.00 0.00 54.58 56.47 1cff n ASN 42 Cb 0.11 1.76 0.00 0.00 -1.02 0.00 0.00 39.78 40.63 1cff n ASN 42 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1cff n PRO 43 N -2.80 0.32 -2.03 3.52 -0.04 -1.26 -4.96 135.00 127.76 1cff n PRO 43 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1cff n PRO 43 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 1cff n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1cff s THR 44 N -0.31 2.59 0.25 0.52 -4.23 -1.26 -4.92 115.64 108.29 1cff s THR 44 Ca 0.00 0.48 -0.05 0.00 -1.18 0.00 0.00 61.69 60.94 1cff s THR 44 Cb 0.00 -3.26 0.23 0.00 1.34 0.00 0.00 72.50 70.81 1cff s THR 44 CO 0.00 0.03 1.87 -0.08 -0.54 0.00 0.00 174.62 175.91 1cff h GLU 45 N 2.17 1.06 0.00 3.99 4.81 -2.00 -1.14 114.58 123.48 1cff h GLU 45 Ca -0.50 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.65 1cff h GLU 45 Cb 1.26 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1cff h GLU 45 CO 0.60 0.70 -0.10 0.00 -0.73 0.00 0.00 179.01 179.49 1cff h ALA 46 N 1.41 1.01 -1.49 2.92 0.00 -2.02 -3.27 119.26 117.81 1cff h ALA 46 Ca 0.39 -0.09 0.48 0.00 0.00 0.00 0.00 54.91 55.69 1cff h ALA 46 Cb 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 1cff h ALA 46 CO -0.15 0.12 0.99 1.05 0.00 0.00 0.00 179.25 181.26 1cff h GLU 47 N 0.00 0.03 -0.57 0.00 -0.00 -1.57 1.36 114.58 113.83 1cff h GLU 47 Ca -0.00 -0.00 0.05 0.00 -0.00 0.00 0.00 59.36 59.41 1cff h GLU 47 Cb 0.66 -0.01 -0.05 0.00 -0.00 0.00 0.00 28.75 29.36 1cff h GLU 47 CO 0.01 0.02 0.30 1.37 -0.00 0.00 0.00 179.01 180.71 1cff h LEU 48 N 0.03 0.44 -1.38 3.06 8.10 -1.75 1.13 115.31 124.95 1cff h LEU 48 Ca 0.87 0.03 -0.03 0.00 0.11 0.00 0.00 57.88 58.86 1cff h LEU 48 Cb 2.95 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 43.10 1cff h LEU 48 CO -0.35 0.30 0.07 -0.61 -4.11 0.00 0.00 178.44 173.74 1cff h GLN 49 N 0.58 0.49 -0.06 0.17 5.75 0.15 0.47 115.11 122.65 1cff h GLN 49 Ca 0.25 -0.08 -0.14 0.00 -0.15 0.00 0.00 58.65 58.53 1cff h GLN 49 Cb 0.15 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1cff h GLN 49 CO -0.17 0.46 -0.59 0.22 -2.65 0.00 0.00 178.83 176.11 1cff h ASP 50 N 0.48 0.24 0.93 -0.69 3.58 -0.13 0.85 116.42 121.68 1cff h ASP 50 Ca 0.11 -0.13 -0.14 0.00 0.42 0.00 0.00 57.03 57.29 1cff h ASP 50 Cb 0.21 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 1cff h ASP 50 CO -0.00 0.77 -0.65 -0.03 -2.88 0.00 0.00 179.24 176.45 1cff h MET 51 N 0.16 0.00 0.12 0.28 4.05 0.29 -0.69 114.93 119.14 1cff h MET 51 Ca -0.00 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.09 1cff h MET 51 Cb 1.08 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 1cff h MET 51 CO 0.09 0.65 -1.70 0.82 0.23 0.00 0.00 176.91 176.99 1cff h ILE 52 N 0.00 0.95 -0.00 1.77 1.08 0.16 -3.33 117.51 118.15 1cff h ILE 52 Ca -0.01 -2.62 0.00 0.00 -0.39 0.00 0.00 64.86 61.84 1cff h ILE 52 Cb 1.28 2.66 0.00 0.00 -3.07 0.00 0.00 36.82 37.70 1cff h ILE 52 CO 0.08 0.81 -0.13 0.59 -0.69 0.00 0.00 178.15 178.81 1cff n ASN 53 N -3.44 0.29 0.02 1.72 4.13 0.29 -3.40 115.26 114.88 1cff n ASN 53 Ca -0.22 -0.19 -0.13 0.00 1.68 0.00 0.00 54.58 55.73 1cff n ASN 53 Cb 1.05 -0.16 -0.01 0.00 -1.54 0.00 0.00 39.78 39.13 1cff n ASN 53 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1cff h GLU 54 N 0.25 0.56 -0.54 3.52 4.39 -1.22 -3.22 114.58 118.33 1cff h GLU 54 Ca 0.00 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1cff h GLU 54 Cb 0.41 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1cff h GLU 54 CO 0.00 1.08 0.00 1.55 -1.16 0.00 0.00 179.01 180.48 1cff n VAL 55 N -3.88 1.18 -0.61 3.13 3.14 -1.25 -4.81 118.33 115.24 1cff n VAL 55 Ca -0.05 -1.07 -0.20 0.00 -2.96 0.00 0.00 64.34 60.05 1cff n VAL 55 Cb 0.72 0.41 -0.02 0.00 -1.06 0.00 0.00 33.84 33.89 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 0.99 3.30 -0.17 6.55 8.00 -1.22 -4.56 116.55 129.44 1cff n ASP 56 Ca 0.19 -2.30 -0.02 0.00 0.71 0.00 0.00 54.79 53.37 1cff n ASP 56 Cb 0.59 -0.93 0.07 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 7.07 0.66 0.00 2.24 0.00 -1.90 -1.77 119.26 125.56 1cff h ALA 57 Ca 0.36 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1cff h ALA 57 Cb 0.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1cff h ALA 57 CO 1.43 -0.19 -1.38 -0.40 0.00 0.00 0.00 179.25 178.70 1cff n ASP 58 N -4.99 0.47 -4.38 0.00 5.68 -1.26 -4.98 116.55 107.08 1cff n ASP 58 Ca 0.06 -0.08 -0.35 0.00 -0.50 0.00 0.00 54.79 53.91 1cff n ASP 58 Cb 0.21 1.19 -0.09 0.00 -1.14 0.00 0.00 41.12 41.29 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 1.30 -0.23 0.24 6.12 0.00 -0.67 -4.79 105.19 107.16 1cff n GLY 59 Ca -0.01 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.41 0.00 0.00 1.61 -1.07 -1.94 -3.45 115.58 109.32 1cff h ASN 60 Ca -0.63 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.74 1cff h ASN 60 Cb 1.38 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.63 1cff h ASN 60 CO 0.77 0.20 0.00 0.61 0.07 0.00 0.00 177.43 179.09 1cff n GLY 61 N -0.36 0.82 3.63 9.14 0.00 -1.26 -5.13 105.19 112.03 1cff n GLY 61 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1cff n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cff s THR 62 N 0.00 0.00 0.20 2.61 -4.23 -1.26 -4.98 115.64 107.98 1cff s THR 62 Ca 0.00 -1.33 -0.30 0.00 -1.18 0.00 0.00 61.69 58.88 1cff s THR 62 Cb 0.00 -2.82 -0.08 0.00 1.34 0.00 0.00 72.50 70.94 1cff s THR 62 CO 0.00 0.00 1.03 -0.63 -0.54 0.00 0.00 174.62 174.48 1cff s ILE 63 N -2.56 3.97 0.07 2.99 -1.09 -0.71 -4.86 121.20 119.02 1cff s ILE 63 Ca 0.24 1.81 0.04 0.00 -2.23 0.00 0.00 60.65 60.51 1cff s ILE 63 Cb -0.03 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.67 1cff s ILE 63 CO 0.17 0.36 -0.11 1.51 -1.23 0.00 0.00 174.94 175.65 1cff s ASP 64 N -0.53 1.38 0.19 3.58 -4.77 -1.26 -2.18 116.67 113.08 1cff s ASP 64 Ca 0.46 -0.67 -0.21 0.00 -3.30 0.00 0.00 52.55 48.82 1cff s ASP 64 Cb -0.28 -0.01 0.11 0.00 -1.09 0.00 0.00 42.92 41.66 1cff s ASP 64 CO 0.34 -0.18 1.42 0.33 0.70 0.00 0.00 175.17 177.79 1cff n PHE 65 N 1.05 -0.14 0.24 2.11 7.35 -1.26 0.57 117.46 127.38 1cff n PHE 65 Ca -0.20 1.14 0.08 0.00 -0.76 0.00 0.00 57.45 57.71 1cff n PHE 65 Cb 0.56 -0.74 0.59 0.00 0.35 0.00 0.00 39.48 40.23 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 0.00 0.18 -7.13 0.13 -1.98 0.34 132.00 123.54 1cff h PRO 66 Ca 0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.37 1cff h PRO 66 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1cff h PRO 66 CO -0.90 0.14 -0.09 1.49 -0.23 0.00 0.00 178.00 178.42 1cff h GLU 67 N 0.00 -0.24 -0.88 0.86 4.81 -0.22 -2.84 114.58 116.07 1cff h GLU 67 Ca -0.00 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1cff h GLU 67 Cb 0.28 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1cff h GLU 67 CO 0.02 -0.16 0.56 0.35 -0.73 0.00 0.00 179.01 179.06 1cff h PHE 68 N -0.87 1.05 0.44 0.92 3.04 -0.65 -2.80 116.94 118.07 1cff h PHE 68 Ca -0.02 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1cff h PHE 68 Cb 0.19 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 38.34 1cff h PHE 68 CO 0.01 0.58 -0.40 1.25 -2.02 0.00 0.00 178.31 177.73 1cff h LEU 69 N 1.07 -1.08 -1.61 0.59 5.85 -1.05 -1.90 115.31 117.18 1cff h LEU 69 Ca 0.37 0.08 0.37 0.00 0.84 0.00 0.00 57.88 59.54 1cff h LEU 69 Cb 0.07 0.35 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 1cff h LEU 69 CO -0.14 -0.54 0.85 0.71 -0.34 0.00 0.00 178.44 178.98 1cff h THR 70 N -0.82 0.31 0.69 1.05 1.35 -1.35 0.49 112.91 114.63 1cff h THR 70 Ca -0.06 -0.05 -0.03 0.00 -0.55 0.00 0.00 66.41 65.72 1cff h THR 70 Cb 0.70 0.15 0.01 0.00 -1.73 0.00 0.00 68.15 67.28 1cff h THR 70 CO -0.03 0.03 -0.33 -0.03 -0.25 0.00 0.00 175.52 174.91 1cff h MET 71 N 0.15 -0.90 0.00 4.72 1.85 -1.09 -2.67 114.93 116.99 1cff h MET 71 Ca 0.69 0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.84 1cff h MET 71 Cb 2.28 0.20 0.00 0.00 0.43 0.00 0.00 31.60 34.51 1cff h MET 71 CO -0.23 -0.60 0.00 0.52 -0.40 0.00 0.00 176.91 176.20 1cff h MET 72 N -0.95 0.00 0.52 0.39 2.07 -0.83 -3.27 114.93 112.86 1cff h MET 72 Ca -0.10 0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.51 1cff h MET 72 Cb 0.71 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.45 1cff h MET 72 CO 0.16 0.00 -0.25 0.00 1.07 0.00 0.00 176.91 177.89 1cff h ALA 73 N 2.05 -1.05 -1.38 6.32 0.00 0.10 -3.13 119.26 122.17 1cff h ALA 73 Ca 0.00 -0.15 -0.79 0.00 0.00 0.00 0.00 54.91 53.97 1cff h ALA 73 Cb 0.44 0.27 -0.23 0.00 0.00 0.00 0.00 17.79 18.27 1cff h ALA 73 CO 0.00 -1.00 1.30 2.89 0.00 0.00 0.00 179.25 182.44 1cff n ARG 74 N -4.10 4.59 0.00 0.00 1.85 -1.03 -4.25 116.66 113.72 1cff n ARG 74 Ca -0.09 -4.25 0.00 0.00 -1.00 0.00 0.00 57.85 52.52 1cff n ARG 74 Cb 0.28 -2.59 0.00 0.00 -1.05 0.00 0.00 32.46 29.09 1cff n ARG 74 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1cff n LYS 75 N 1.50 0.00 0.00 2.89 4.76 -1.25 -4.98 118.16 121.08 1cff n LYS 75 Ca 0.39 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1cff n LYS 75 Cb 0.31 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.50 1cff n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1cff n MET 76 N -2.16 -0.54 0.00 1.97 2.81 -1.18 -5.11 117.12 112.91 1cff n MET 76 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1cff n MET 76 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1cff n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1cff n LYS 77 N -0.26 0.00 0.00 0.03 3.00 -1.26 -4.50 118.16 115.17 1cff n LYS 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1cff n LYS 77 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 35.03 34.86 1cff n LYS 77 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 78 N -2.28 0.00 -2.74 3.14 5.68 -1.26 -4.98 116.55 114.11 1cff n ASP 78 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.25 1cff n ASP 78 Cb 0.00 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.04 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 0.00 0.88 -0.67 2.12 -2.24 -1.26 -5.13 114.28 107.98 1cff n THR 79 Ca 0.00 -2.57 -0.31 0.00 -2.27 0.00 0.00 64.05 58.90 1cff n THR 79 Cb 0.00 1.01 0.17 0.00 -2.10 0.00 0.00 70.33 69.42 1cff n THR 79 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1cff n ASP 80 N -0.53 -0.28 0.00 3.42 5.75 -1.26 -4.89 116.55 118.76 1cff n ASP 80 Ca 0.03 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 1cff n ASP 80 Cb 0.82 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 1cff n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1cff n SER 81 N -3.87 0.00 -4.56 -1.12 7.64 -1.26 -5.15 113.62 105.30 1cff n SER 81 Ca 0.10 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.69 1cff n SER 81 Cb 0.53 0.02 0.22 0.00 -1.01 0.00 0.00 64.21 63.96 1cff n SER 81 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1cff s GLU 82 N -1.06 -0.27 0.00 1.43 2.02 -1.26 -4.88 118.70 114.67 1cff s GLU 82 Ca 0.00 0.92 0.00 0.00 0.02 0.00 0.00 54.97 55.91 1cff s GLU 82 Cb 0.00 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.61 1cff s GLU 82 CO 0.00 -3.31 0.00 -0.85 0.02 0.00 0.00 175.26 171.12 1cff n GLU 83 N -4.64 0.00 -0.10 1.61 0.28 -1.26 -4.97 120.64 111.56 1cff n GLU 83 Ca 0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.91 1cff n GLU 83 Cb 0.54 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.32 1cff n GLU 83 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1cff n GLU 84 N 0.00 0.51 0.00 3.44 0.28 -1.26 -4.34 120.64 119.26 1cff n GLU 84 Ca 0.00 0.12 0.08 0.00 -0.16 0.00 0.00 57.16 57.20 1cff n GLU 84 Cb 0.00 -1.40 0.34 0.00 1.43 0.00 0.00 31.44 31.81 1cff n GLU 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1cff n ILE 85 N -3.13 0.88 -0.65 3.84 5.41 -1.26 -3.47 119.36 120.98 1cff n ILE 85 Ca -0.36 0.22 0.50 0.00 1.00 0.00 0.00 62.75 64.11 1cff n ILE 85 Cb 0.88 -0.95 0.81 0.00 -0.71 0.00 0.00 39.64 39.67 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 0.12 0.38 2.43 -1.94 1.67 114.38 117.04 1cff h ARG 86 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1cff h ARG 86 Cb 0.26 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1cff h ARG 86 CO 0.00 0.00 -0.06 0.93 -1.51 0.00 0.00 179.97 179.34 1cff h GLU 87 N 0.00 -0.15 0.00 0.20 5.08 -1.90 -2.53 114.58 115.28 1cff h GLU 87 Ca 0.89 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 59.23 1cff h GLU 87 Cb 3.53 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 32.82 1cff h GLU 87 CO -0.04 0.27 -0.14 0.00 -1.00 0.00 0.00 179.01 178.10 1cff h ALA 88 N -0.46 1.53 -0.76 3.43 0.00 -0.49 0.11 119.26 122.62 1cff h ALA 88 Ca -0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1cff h ALA 88 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1cff h ALA 88 CO 0.03 0.18 0.25 0.35 0.00 0.00 0.00 179.25 180.05 1cff h PHE 89 N 0.00 1.21 0.00 0.00 3.57 0.22 0.38 116.94 122.32 1cff h PHE 89 Ca -0.00 -0.12 -0.17 0.00 3.53 0.00 0.00 57.97 61.21 1cff h PHE 89 Cb 0.29 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1cff h PHE 89 CO 0.00 0.94 -0.92 -0.09 -2.23 0.00 0.00 178.31 176.02 1cff h ARG 90 N 1.13 0.00 -0.17 1.11 1.12 -0.92 -2.21 114.38 114.44 1cff h ARG 90 Ca 0.25 0.00 -0.11 0.00 -1.11 0.00 0.00 59.98 59.00 1cff h ARG 90 Cb 0.29 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 1cff h ARG 90 CO -0.01 0.70 -0.39 0.28 -3.11 0.00 0.00 179.97 177.45 1cff h VAL 91 N 0.00 1.30 0.00 0.20 2.07 -0.44 -3.06 116.25 116.33 1cff h VAL 91 Ca -0.05 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1cff h VAL 91 Cb 1.63 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1cff h VAL 91 CO 0.09 0.46 -1.11 0.49 0.02 0.00 0.00 177.57 177.53 1cff n PHE 92 N -4.04 0.63 0.65 1.57 3.72 0.13 -4.04 117.46 116.08 1cff n PHE 92 Ca -0.01 0.18 0.11 0.00 -0.05 0.00 0.00 57.45 57.69 1cff n PHE 92 Cb 0.48 -0.75 0.46 0.00 -0.94 0.00 0.00 39.48 38.73 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1cff n ASP 93 N -2.40 0.34 0.00 4.37 -0.08 -0.83 -4.69 116.55 113.26 1cff n ASP 93 Ca 0.00 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1cff n ASP 93 Cb 0.52 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.34 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 -1.84 0.00 0.31 -0.67 0.00 -1.22 -1.10 118.16 113.63 1cff n LYS 94 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.23 1cff n LYS 94 Cb 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.26 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 -0.68 0.00 3.14 3.04 -1.92 -3.49 116.42 116.52 1cff h ASP 95 Ca 0.00 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 1cff h ASP 95 Cb 0.00 0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 1cff h ASP 95 CO 0.00 -0.44 0.00 0.61 -2.04 0.00 0.00 179.24 177.37 1cff n GLY 96 N -1.01 -0.16 1.47 7.15 0.00 -0.26 -5.10 105.19 107.28 1cff n GLY 96 Ca -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.29 0.00 1.61 4.13 -1.26 -5.06 115.26 114.97 1cff n ASN 97 Ca 0.00 0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.43 1cff n ASN 97 Cb 0.00 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 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 2.46 1.26 3.83 7.41 0.00 -1.26 -5.12 105.19 113.77 1cff n GLY 98 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.36 3.30 -0.73 1.61 2.02 -1.26 -3.65 117.35 118.28 1cff s TYR 99 Ca 0.00 0.11 -0.02 0.00 -0.37 0.00 0.00 57.07 56.79 1cff s TYR 99 Cb 0.00 -1.65 0.18 0.00 -0.40 0.00 0.00 41.96 40.10 1cff s TYR 99 CO 0.00 0.54 0.56 0.42 -1.57 0.00 0.00 175.55 175.50 1cff s ILE 100 N -1.50 3.87 0.07 2.71 1.01 0.34 -4.90 121.20 122.80 1cff s ILE 100 Ca 0.31 -3.39 -0.26 0.00 0.00 0.00 0.00 60.65 57.31 1cff s ILE 100 Cb -0.12 -3.48 -0.17 0.00 0.01 0.00 0.00 42.46 38.70 1cff s ILE 100 CO 0.24 -0.96 1.61 -1.28 0.00 0.00 0.00 174.94 174.55 1cff h SER 101 N 6.53 -0.23 0.00 3.58 0.87 -1.92 -3.34 113.55 119.05 1cff h SER 101 Ca 0.06 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1cff h SER 101 Cb 0.89 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1cff h SER 101 CO 0.76 -0.09 0.00 0.00 -0.53 0.00 0.00 176.83 176.97 1cff n ALA 102 N -2.25 0.00 -0.26 6.23 0.00 -1.26 -4.82 120.51 118.14 1cff n ALA 102 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 1cff n ALA 102 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.20 0.08 0.00 0.00 -1.97 0.54 119.26 117.71 1cff h ALA 103 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1cff h ALA 103 Cb 0.00 0.98 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1cff h ALA 103 CO 0.00 -0.77 -0.47 0.93 0.00 0.00 0.00 179.25 178.94 1cff h GLU 104 N -0.15 -0.62 -0.64 0.00 5.08 -1.91 -1.49 114.58 114.86 1cff h GLU 104 Ca 0.22 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.74 1cff h GLU 104 Cb 0.55 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.82 1cff h GLU 104 CO -0.78 -0.41 -0.32 -0.07 -1.00 0.00 0.00 179.01 176.44 1cff h LEU 105 N -0.64 -1.11 -0.11 1.33 3.38 -1.45 1.44 115.31 118.16 1cff h LEU 105 Ca -0.00 0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1cff h LEU 105 Cb 0.65 0.57 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1cff h LEU 105 CO -0.27 -0.29 -0.14 -0.09 0.09 0.00 0.00 178.44 177.74 1cff h ARG 106 N -0.13 -0.09 0.23 1.13 9.65 0.80 0.65 114.38 126.63 1cff h ARG 106 Ca 0.26 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.13 1cff h ARG 106 Cb 0.55 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1cff h ARG 106 CO -0.71 -0.06 -0.11 1.25 2.80 0.00 0.00 179.97 183.13 1cff h HIS 107 N -0.10 -0.29 -0.77 2.20 2.76 -0.75 -1.70 115.15 116.51 1cff h HIS 107 Ca 0.02 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.32 1cff h HIS 107 Cb 0.15 0.10 -0.14 0.00 1.55 0.00 0.00 27.41 29.06 1cff h HIS 107 CO -0.65 -0.18 -0.31 0.28 -1.30 0.00 0.00 177.93 175.77 1cff h VAL 108 N -0.78 0.13 0.00 5.26 2.07 0.19 0.63 116.25 123.75 1cff h VAL 108 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1cff h VAL 108 Cb 0.24 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1cff h VAL 108 CO 0.05 0.00 0.00 0.80 0.02 0.00 0.00 177.57 178.44 1cff n MET 109 N -5.48 0.22 0.04 1.57 0.00 0.23 -2.36 117.12 111.34 1cff n MET 109 Ca 0.08 0.24 -0.13 0.00 0.00 0.00 0.00 57.70 57.89 1cff n MET 109 Cb 0.39 -1.79 -0.14 0.00 0.00 0.00 0.00 33.22 31.68 1cff n MET 109 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1cff h THR 110 N 0.00 1.17 0.00 1.12 2.02 0.76 -2.56 112.91 115.42 1cff h THR 110 Ca 0.00 -2.87 -0.13 0.00 0.77 0.00 0.00 66.41 64.17 1cff h THR 110 Cb 0.64 2.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.72 1cff h THR 110 CO 0.00 0.78 -0.63 -1.13 0.37 0.00 0.00 175.52 174.91 1cff h ASN 111 N 0.04 0.00 0.77 4.18 -0.00 0.08 -1.67 115.58 118.99 1cff h ASN 111 Ca -0.22 0.00 -0.25 0.00 -0.00 0.00 0.00 56.30 55.84 1cff h ASN 111 Cb 1.97 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 40.26 1cff h ASN 111 CO 0.13 0.63 -1.27 0.25 -0.00 0.00 0.00 177.43 177.17 1cff h LEU 112 N 0.00 0.07 0.00 0.34 5.85 -1.54 -3.45 115.31 116.58 1cff h LEU 112 Ca -0.01 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1cff h LEU 112 Cb 1.16 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1cff h LEU 112 CO 0.08 1.08 0.00 0.61 -0.34 0.00 0.00 178.44 179.87 1cff n GLY 113 N 1.45 -2.03 2.89 3.75 0.00 -0.96 -5.10 105.19 105.19 1cff n GLY 113 Ca -0.07 0.97 -0.53 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.87 1.61 1.02 -0.63 -4.70 120.64 117.07 1cff n GLU 114 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1cff n GLU 114 Cb 0.00 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 1cff n GLU 114 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1cff n LYS 115 N 6.27 0.00 -2.84 3.49 3.00 -1.26 -5.05 118.16 121.76 1cff n LYS 115 Ca 0.46 -0.75 -0.13 0.00 -0.00 0.00 0.00 58.31 57.89 1cff n LYS 115 Cb -0.04 0.39 -0.01 0.00 0.00 0.00 0.00 35.03 35.37 1cff n LYS 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1cff n LEU 116 N 0.00 0.00 -3.63 3.14 4.77 -1.26 -4.97 117.00 115.05 1cff n LEU 116 Ca -0.21 -1.36 -0.04 0.00 -0.03 0.00 0.00 56.01 54.37 1cff n LEU 116 Cb 0.64 0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.74 1cff n LEU 116 CO -0.11 -0.32 1.08 0.42 -1.33 0.00 0.00 177.39 177.14 1cff s THR 117 N -1.49 0.00 0.50 -5.08 -4.23 -1.26 -4.90 115.64 99.18 1cff s THR 117 Ca 0.08 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.86 1cff s THR 117 Cb -0.01 -1.00 0.45 0.00 1.34 0.00 0.00 72.50 73.28 1cff s THR 117 CO 0.05 0.00 1.88 -0.78 -0.54 0.00 0.00 174.62 175.23 1cff h ASP 118 N 2.33 0.12 0.01 3.99 1.82 -2.01 1.36 116.42 124.05 1cff h ASP 118 Ca -0.13 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 1cff h ASP 118 Cb 1.18 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1cff h ASP 118 CO 0.23 0.04 -0.09 -0.33 -1.61 0.00 0.00 179.24 177.48 1cff h GLU 119 N 0.12 0.04 -0.06 0.28 5.08 -1.99 -2.89 114.58 115.16 1cff h GLU 119 Ca 0.44 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.62 1cff h GLU 119 Cb 1.54 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.82 1cff h GLU 119 CO -0.06 0.99 -0.44 1.05 -1.00 0.00 0.00 179.01 179.56 1cff h GLU 120 N -0.89 0.41 -0.67 2.33 -0.00 -1.61 -2.88 114.58 111.28 1cff h GLU 120 Ca -0.02 -0.35 -0.02 0.00 -0.00 0.00 0.00 59.36 58.97 1cff h GLU 120 Cb 1.04 0.08 -0.03 0.00 -0.00 0.00 0.00 28.75 29.83 1cff h GLU 120 CO 0.02 1.00 0.32 -0.24 -0.00 0.00 0.00 179.01 180.11 1cff h VAL 121 N -0.07 1.22 -0.37 -1.06 3.04 0.16 1.27 116.25 120.45 1cff h VAL 121 Ca -0.04 -0.61 -0.04 0.00 -1.01 0.00 0.00 66.70 65.01 1cff h VAL 121 Cb 1.10 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 1cff h VAL 121 CO 0.09 0.25 0.08 -0.78 -1.01 0.00 0.00 177.57 176.21 1cff h ASP 122 N 0.95 0.56 0.17 3.17 3.58 -1.55 -2.74 116.42 120.55 1cff h ASP 122 Ca 0.23 -0.24 -0.28 0.00 0.42 0.00 0.00 57.03 57.16 1cff h ASP 122 Cb 0.10 -0.15 0.02 0.00 1.72 0.00 0.00 39.33 41.02 1cff h ASP 122 CO -0.03 0.66 -1.16 -0.33 -2.88 0.00 0.00 179.24 175.49 1cff h GLU 123 N 0.44 0.58 -0.63 0.28 5.08 -1.23 -2.69 114.58 116.41 1cff h GLU 123 Ca 0.11 -0.74 0.13 0.00 -1.00 0.00 0.00 59.36 57.87 1cff h GLU 123 Cb 0.32 0.23 -0.10 0.00 0.50 0.00 0.00 28.75 29.70 1cff h GLU 123 CO 0.00 1.32 0.05 1.98 -1.00 0.00 0.00 179.01 181.36 1cff h MET 124 N 0.28 0.16 -0.01 2.33 4.05 0.17 0.82 114.93 122.72 1cff h MET 124 Ca -0.16 -0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.10 1cff h MET 124 Cb 1.83 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.58 1cff h MET 124 CO 0.22 0.10 -0.70 0.82 0.23 0.00 0.00 176.91 177.58 1cff h ILE 125 N 0.16 1.48 -0.04 1.77 1.08 -1.56 0.22 117.51 120.61 1cff h ILE 125 Ca 0.34 -2.34 -0.00 0.00 -0.39 0.00 0.00 64.86 62.46 1cff h ILE 125 Cb 0.55 2.26 -0.00 0.00 -3.07 0.00 0.00 36.82 36.55 1cff h ILE 125 CO -0.51 0.67 0.01 0.03 -0.69 0.00 0.00 178.15 177.67 1cff h ARG 126 N 0.05 0.07 -0.26 2.37 3.08 -0.33 1.28 114.38 120.63 1cff h ARG 126 Ca -0.01 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1cff h ARG 126 Cb 1.25 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1cff h ARG 126 CO 0.10 0.30 -0.46 1.49 -1.07 0.00 0.00 179.97 180.32 1cff h GLU 127 N -0.17 0.69 -0.12 0.04 4.22 0.50 -2.89 114.58 116.85 1cff h GLU 127 Ca 0.01 -0.39 -0.11 0.00 0.08 0.00 0.00 59.36 58.96 1cff h GLU 127 Cb 0.26 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1cff h GLU 127 CO 0.00 1.00 -0.41 0.00 -2.18 0.00 0.00 179.01 177.42 1cff h ALA 128 N 0.93 1.09 -0.61 2.92 0.00 -0.41 -3.40 119.26 119.78 1cff h ALA 128 Ca 0.03 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 1cff h ALA 128 Cb 1.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1cff h ALA 128 CO 0.10 0.59 0.45 0.34 0.00 0.00 0.00 179.25 180.73 1cff s ASP 129 N -6.88 4.47 0.09 0.00 2.15 0.44 -4.81 116.67 112.13 1cff s ASP 129 Ca -0.05 -0.17 -0.34 0.00 0.43 0.00 0.00 52.55 52.43 1cff s ASP 129 Cb 0.13 -2.55 -0.16 0.00 -0.30 0.00 0.00 42.92 40.04 1cff s ASP 129 CO 0.78 -3.31 1.60 0.40 -0.17 0.00 0.00 175.17 174.46 1cff h ILE 130 N 7.48 0.17 -0.41 4.11 5.03 -1.84 -2.78 117.51 129.28 1cff h ILE 130 Ca 0.02 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.83 1cff h ILE 130 Cb 1.02 0.17 -0.07 0.00 -3.03 0.00 0.00 36.82 34.92 1cff h ILE 130 CO 1.10 0.00 -0.01 0.44 -0.68 0.00 0.00 178.15 179.00 1cff h ASP 131 N -0.91 -0.20 -1.37 1.72 3.32 -1.93 -3.46 116.42 113.58 1cff h ASP 131 Ca -0.06 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1cff h ASP 131 Cb 0.78 0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.52 1cff h ASP 131 CO 0.00 -0.06 -0.05 0.61 -1.72 0.00 0.00 179.24 178.02 1cff n GLY 132 N -1.28 0.84 0.13 2.75 0.00 -1.05 -4.96 105.19 101.61 1cff n GLY 132 Ca 0.03 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1cff n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cff h ASP 133 N -0.18 0.00 0.00 1.61 3.32 -1.90 -3.46 116.42 115.81 1cff h ASP 133 Ca -0.04 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1cff h ASP 133 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1cff h ASP 133 CO 0.04 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 1cff n GLY 134 N 1.24 0.95 3.57 2.75 0.00 -1.26 -5.10 105.19 107.34 1cff n GLY 134 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 0.69 -0.32 1.61 0.74 -1.26 -4.95 119.66 116.17 1cff s GLN 135 Ca 0.00 0.25 -0.22 0.00 0.05 0.00 0.00 55.36 55.44 1cff s GLN 135 Cb 0.00 0.33 -0.00 0.00 1.10 0.00 0.00 33.01 34.43 1cff s GLN 135 CO 0.00 -0.20 0.70 0.54 -0.55 0.00 0.00 175.29 175.78 1cff s VAL 136 N -0.93 4.86 -0.15 1.34 0.11 -1.25 -4.77 120.40 119.60 1cff s VAL 136 Ca -0.03 0.92 -0.08 0.00 -2.93 0.00 0.00 61.98 59.86 1cff s VAL 136 Cb -0.01 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.71 1cff s VAL 136 CO 0.03 -0.24 0.13 0.54 -3.33 0.00 0.00 175.10 172.23 1cff s ASN 137 N 1.68 6.28 0.41 3.54 6.03 -1.26 -0.50 114.94 131.12 1cff s ASN 137 Ca 0.28 0.36 0.24 0.00 -1.03 0.00 0.00 52.86 52.71 1cff s ASN 137 Cb -0.14 -2.07 1.26 0.00 -3.03 0.00 0.00 41.25 37.27 1cff s ASN 137 CO 0.13 0.31 1.69 0.22 -2.03 0.00 0.00 177.10 177.42 1cff h TYR 138 N 5.70 0.62 -0.95 1.54 3.20 -1.97 0.18 116.97 125.29 1cff h TYR 138 Ca -0.49 0.02 0.27 0.00 3.14 0.00 0.00 58.73 61.67 1cff h TYR 138 Cb 1.20 -0.17 -0.14 0.00 1.54 0.00 0.00 36.73 39.16 1cff h TYR 138 CO 0.68 -0.09 0.46 1.05 -1.64 0.00 0.00 178.16 178.62 1cff h GLU 139 N 0.24 0.34 0.06 1.82 4.11 -1.93 1.00 114.58 120.21 1cff h GLU 139 Ca 0.71 -0.02 -0.27 0.00 0.07 0.00 0.00 59.36 59.85 1cff h GLU 139 Cb 2.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.18 1cff h GLU 139 CO -0.39 0.23 -1.41 1.05 0.07 0.00 0.00 179.01 178.56 1cff h GLU 140 N 0.35 0.12 0.47 1.06 4.11 -1.07 -2.40 114.58 117.23 1cff h GLU 140 Ca 0.64 -0.21 -0.01 0.00 0.07 0.00 0.00 59.36 59.85 1cff h GLU 140 Cb 1.34 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1cff h GLU 140 CO -0.58 0.95 -0.33 0.35 0.07 0.00 0.00 179.01 179.47 1cff h PHE 141 N 0.03 -0.87 -0.06 2.06 3.04 0.60 0.26 116.94 122.01 1cff h PHE 141 Ca -0.18 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 1cff h PHE 141 Cb 1.94 0.32 -0.00 0.00 2.56 0.00 0.00 35.95 40.77 1cff h PHE 141 CO 0.03 -0.49 0.00 -0.39 -2.02 0.00 0.00 178.31 175.44 1cff h VAL 142 N -0.78 1.23 -1.09 1.41 -1.51 0.59 0.96 116.25 117.06 1cff h VAL 142 Ca -0.05 -0.72 0.30 0.00 -1.23 0.00 0.00 66.70 65.01 1cff h VAL 142 Cb 0.65 1.61 -0.10 0.00 -2.13 0.00 0.00 31.29 31.32 1cff h VAL 142 CO 0.03 0.20 0.70 1.56 -1.23 0.00 0.00 177.57 178.82 1cff h GLN 143 N -0.17 0.32 0.00 5.19 4.20 -1.34 1.37 115.11 124.68 1cff h GLN 143 Ca 0.02 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1cff h GLN 143 Cb 0.31 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1cff h GLN 143 CO 0.00 0.21 -1.51 -0.12 -0.67 0.00 0.00 178.83 176.74 1cff n MET 144 N -4.66 0.63 -0.03 1.46 1.56 0.07 -3.71 117.12 112.44 1cff n MET 144 Ca 0.28 0.17 -0.02 0.00 -0.27 0.00 0.00 57.70 57.87 1cff n MET 144 Cb 0.99 -1.77 -0.01 0.00 2.15 0.00 0.00 33.22 34.58 1cff n MET 144 CO 0.00 0.00 0.00 -0.12 -0.73 0.00 0.00 175.97 175.12 1cff n MET 145 N -2.83 0.16 0.12 2.12 0.00 0.33 -4.45 117.12 112.57 1cff n MET 145 Ca -0.11 0.33 0.11 0.00 -0.00 0.00 0.00 57.70 58.04 1cff n MET 145 Cb 0.84 -1.07 0.61 0.00 0.00 0.00 0.00 33.22 33.59 1cff n MET 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1cff h THR 146 N -0.36 0.93 -3.19 1.12 1.03 0.13 -3.42 112.91 109.15 1cff h THR 146 Ca 0.00 -0.04 -0.53 0.00 -0.01 0.00 0.00 66.41 65.83 1cff h THR 146 Cb 0.19 0.80 0.08 0.00 -1.07 0.00 0.00 68.15 68.15 1cff h THR 146 CO 0.00 0.02 0.91 0.00 -0.01 0.00 0.00 175.52 176.45 1cff s ALA 147 N -5.15 3.79 -1.14 0.00 0.00 -1.08 -5.05 121.76 113.12 1cff s ALA 147 Ca -0.06 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1cff s ALA 147 Cb 0.18 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1cff s ALA 147 CO 0.70 -0.97 0.29 1.63 0.00 0.00 0.00 175.76 177.40