#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 1.72 -0.22 0.00 -4.77 -1.26 -5.07 116.67 107.07 1cff s ASP 2 Ca 0.00 -1.32 0.03 0.00 -3.30 0.00 0.00 52.55 47.96 1cff s ASP 2 Cb 0.00 0.04 0.11 0.00 -1.09 0.00 0.00 42.92 41.98 1cff s ASP 2 CO 0.00 -0.62 0.96 1.67 0.70 0.00 0.00 175.17 177.88 1cff n GLN 3 N -0.50 0.34 0.00 2.11 0.00 -1.26 -5.13 117.38 112.94 1cff n GLN 3 Ca -0.03 -0.62 0.00 0.00 -0.00 0.00 0.00 57.00 56.35 1cff n GLN 3 Cb 0.65 0.04 0.00 0.00 0.00 0.00 0.00 30.24 30.94 1cff n GLN 3 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1cff n LEU 4 N -0.48 -0.86 -4.77 1.69 -0.00 -1.26 -5.00 117.00 106.33 1cff n LEU 4 Ca -0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.47 1cff n LEU 4 Cb 0.64 0.65 -0.06 0.00 -0.00 0.00 0.00 43.42 44.65 1cff n LEU 4 CO -0.08 0.00 0.63 0.42 -0.00 0.00 0.00 177.39 178.36 1cff s THR 5 N -1.34 4.17 -0.64 1.47 -4.23 -1.26 -4.96 115.64 108.84 1cff s THR 5 Ca 0.00 1.92 0.24 0.00 -1.18 0.00 0.00 61.69 62.67 1cff s THR 5 Cb 0.00 -4.15 -0.00 0.00 1.34 0.00 0.00 72.50 69.69 1cff s THR 5 CO 0.00 0.32 1.23 1.21 -0.54 0.00 0.00 174.62 176.84 1cff n GLU 6 N 1.02 0.28 0.13 3.99 2.13 -1.26 -3.59 120.64 123.34 1cff n GLU 6 Ca -0.00 0.05 -0.05 0.00 0.66 0.00 0.00 57.16 57.82 1cff n GLU 6 Cb 0.49 -1.65 -0.03 0.00 0.27 0.00 0.00 31.44 30.52 1cff n GLU 6 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1cff h GLU 7 N 0.00 -0.35 0.22 5.31 4.81 -1.99 -2.42 114.58 120.17 1cff h GLU 7 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1cff h GLU 7 Cb 0.73 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1cff h GLU 7 CO 0.00 -0.23 -0.11 1.96 -0.73 0.00 0.00 179.01 179.90 1cff h GLN 8 N -0.55 -0.29 -0.69 1.92 1.08 -2.01 -3.22 115.11 111.34 1cff h GLN 8 Ca -0.04 0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.33 1cff h GLN 8 Cb 0.27 0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 27.65 1cff h GLN 8 CO 0.06 0.07 -0.02 0.97 -0.95 0.00 0.00 178.83 178.97 1cff h ILE 9 N -0.73 0.41 -0.96 2.54 2.10 -1.74 0.33 117.51 119.45 1cff h ILE 9 Ca -0.03 -0.03 0.30 0.00 1.08 0.00 0.00 64.86 66.18 1cff h ILE 9 Cb 0.50 0.30 -0.15 0.00 -1.09 0.00 0.00 36.82 36.37 1cff h ILE 9 CO 0.05 0.02 0.39 0.00 -1.08 0.00 0.00 178.15 177.53 1cff h ALA 10 N 1.64 1.67 -0.53 0.18 0.00 -1.44 1.48 119.26 122.26 1cff h ALA 10 Ca 0.36 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.54 1cff h ALA 10 Cb 0.61 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1cff h ALA 10 CO -0.61 -0.59 0.28 0.93 0.00 0.00 0.00 179.25 179.27 1cff h GLU 11 N 0.21 0.53 -0.35 0.00 4.39 -0.38 0.65 114.58 119.63 1cff h GLU 11 Ca 0.67 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 60.42 1cff h GLU 11 Cb 1.51 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.02 1cff h GLU 11 CO -0.68 0.35 0.25 0.35 -1.16 0.00 0.00 179.01 178.12 1cff h PHE 12 N 0.55 0.14 -0.47 4.33 3.57 0.21 0.30 116.94 125.57 1cff h PHE 12 Ca 0.23 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.60 1cff h PHE 12 Cb 0.11 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1cff h PHE 12 CO -0.09 0.07 -0.22 -0.22 -2.23 0.00 0.00 178.31 175.63 1cff h LYS 13 N 0.13 0.95 -0.95 1.11 3.11 0.21 -1.22 116.57 119.91 1cff h LYS 13 Ca 0.16 -0.40 0.17 0.00 -2.81 0.00 0.00 60.65 57.77 1cff h LYS 13 Cb 0.47 -0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.59 1cff h LYS 13 CO -0.02 1.07 0.60 0.93 -2.81 0.00 0.00 179.45 179.22 1cff h GLU 14 N 0.82 0.65 0.07 1.90 5.08 0.29 0.55 114.58 123.95 1cff h GLU 14 Ca 0.11 -0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 58.15 1cff h GLU 14 Cb 0.78 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.91 1cff h GLU 14 CO 0.06 0.43 -1.14 0.00 -1.00 0.00 0.00 179.01 177.36 1cff h ALA 15 N 1.61 0.11 0.00 3.43 0.00 -1.24 -2.76 119.26 120.41 1cff h ALA 15 Ca 0.50 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1cff h ALA 15 Cb 0.89 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1cff h ALA 15 CO -0.26 0.75 0.00 0.35 0.00 0.00 0.00 179.25 180.08 1cff h PHE 16 N 0.27 0.00 0.07 0.00 3.04 0.92 2.06 116.94 123.29 1cff h PHE 16 Ca -0.15 0.00 -0.35 0.00 3.98 0.00 0.00 57.97 61.45 1cff h PHE 16 Cb 1.81 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.28 1cff h PHE 16 CO 0.10 0.00 -2.01 0.43 -2.02 0.00 0.00 178.31 174.81 1cff n SER 17 N -2.43 1.64 0.06 0.41 7.64 0.15 -3.93 113.62 117.16 1cff n SER 17 Ca -0.01 0.21 -0.20 0.00 1.01 0.00 0.00 58.87 59.88 1cff n SER 17 Cb 0.09 -0.48 -0.15 0.00 -1.01 0.00 0.00 64.21 62.67 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 0.04 0.50 -1.94 -3.43 4.07 -1.07 -3.28 115.31 110.21 1cff h LEU 18 Ca -0.41 -0.78 0.12 0.00 0.08 0.00 0.00 57.88 56.88 1cff h LEU 18 Cb 2.03 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 43.59 1cff h LEU 18 CO 0.06 1.67 0.47 0.15 -1.08 0.00 0.00 178.44 179.71 1cff h PHE 19 N 0.09 0.00 0.00 1.13 3.57 0.31 1.22 116.94 123.26 1cff h PHE 19 Ca -0.32 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1cff h PHE 19 Cb 2.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.81 1cff h PHE 19 CO 0.08 0.00 0.00 -3.47 -2.23 0.00 0.00 178.31 172.69 1cff n ASP 20 N -3.64 0.66 -4.32 0.41 2.03 -1.23 -4.85 116.55 105.61 1cff n ASP 20 Ca 0.07 0.63 -0.35 0.00 0.52 0.00 0.00 54.79 55.67 1cff n ASP 20 Cb 0.64 -0.78 -0.07 0.00 -0.72 0.00 0.00 41.12 40.19 1cff n ASP 20 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1cff n LYS 21 N -2.20 -1.65 0.00 -0.67 2.85 0.42 -4.51 118.16 112.40 1cff n LYS 21 Ca 0.03 0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1cff n LYS 21 Cb 0.28 -4.38 0.00 0.00 -0.65 0.00 0.00 35.03 30.27 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1cff n ASP 22 N -2.72 0.00 -0.52 -5.58 5.68 -1.26 -5.06 116.55 107.09 1cff n ASP 22 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1cff n ASP 22 Cb 0.58 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 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 -0.88 0.48 0.00 6.12 0.00 -1.26 -5.01 105.19 104.64 1cff n GLY 23 Ca 0.00 -0.25 0.05 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 -0.52 2.59 -0.01 1.61 2.03 -1.26 -5.00 116.55 115.99 1cff n ASP 24 Ca 0.00 -0.08 -0.00 0.00 0.52 0.00 0.00 54.79 55.22 1cff n ASP 24 Cb 0.26 1.38 -0.00 0.00 -0.72 0.00 0.00 41.12 42.03 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 1.88 0.47 2.99 0.27 0.00 -1.26 -5.01 105.19 104.54 1cff n GLY 25 Ca -0.01 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.97 -0.01 -0.39 2.61 -4.23 -1.26 -4.77 115.64 105.62 1cff s THR 26 Ca 0.00 0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 60.47 1cff s THR 26 Cb 0.00 -0.21 0.06 0.00 1.34 0.00 0.00 72.50 73.69 1cff s THR 26 CO 0.00 0.02 0.20 -0.63 -0.54 0.00 0.00 174.62 173.67 1cff s ILE 27 N 0.33 4.06 0.15 2.99 -1.09 -1.03 -4.87 121.20 121.75 1cff s ILE 27 Ca -0.02 -1.29 0.01 0.00 -2.23 0.00 0.00 60.65 57.12 1cff s ILE 27 Cb -0.03 -3.42 0.01 0.00 -1.58 0.00 0.00 42.46 37.44 1cff s ILE 27 CO -0.01 -0.38 0.09 0.41 -1.23 0.00 0.00 174.94 173.82 1cff n THR 28 N 4.87 0.00 0.27 2.92 -1.04 -1.26 -1.22 114.28 118.83 1cff n THR 28 Ca -0.11 -0.64 0.16 0.00 -2.04 0.00 0.00 64.05 61.42 1cff n THR 28 Cb 0.44 -0.24 0.73 0.00 -1.82 0.00 0.00 70.33 69.43 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 0.67 0.25 0.78 12.58 1.35 -1.95 0.20 112.91 126.79 1cff h THR 29 Ca -0.10 -0.57 -0.04 0.00 -0.55 0.00 0.00 66.41 65.15 1cff h THR 29 Cb 0.36 1.45 0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1cff h THR 29 CO 0.17 0.07 -0.37 0.50 -0.25 0.00 0.00 175.52 175.64 1cff h LYS 30 N 0.00 -1.00 0.08 4.72 1.63 -1.97 0.94 116.57 120.97 1cff h LYS 30 Ca -0.00 0.07 -0.20 0.00 -0.85 0.00 0.00 60.65 59.66 1cff h LYS 30 Cb 0.44 0.23 0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1cff h LYS 30 CO 0.01 -0.66 -0.84 1.05 -3.45 0.00 0.00 179.45 175.55 1cff h GLU 31 N -1.07 0.43 -0.15 1.90 9.09 -1.84 -2.59 114.58 120.35 1cff h GLU 31 Ca -0.11 -0.57 -0.04 0.00 0.05 0.00 0.00 59.36 58.69 1cff h GLU 31 Cb 0.81 0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 28.08 1cff h GLU 31 CO 0.18 1.22 -0.09 1.25 0.05 0.00 0.00 179.01 181.62 1cff h LEU 32 N -0.10 0.21 -0.12 3.06 7.12 -1.02 -2.63 115.31 121.83 1cff h LEU 32 Ca -0.13 -0.04 -0.22 0.00 0.13 0.00 0.00 57.88 57.63 1cff h LEU 32 Cb 1.58 -0.05 0.01 0.00 -0.53 0.00 0.00 40.66 41.67 1cff h LEU 32 CO 0.16 0.34 -0.78 1.23 -0.13 0.00 0.00 178.44 179.26 1cff h GLY 33 N 0.66 0.83 0.70 3.75 0.00 0.89 -2.00 103.07 107.90 1cff h GLY 33 Ca 0.05 -1.21 0.07 0.00 0.00 0.00 0.00 47.33 46.24 1cff h GLY 33 CO 0.02 1.07 0.58 -0.84 0.00 0.00 0.00 176.54 177.37 1cff h THR 34 N 0.46 1.05 0.00 4.70 2.02 -1.11 0.16 112.91 120.19 1cff h THR 34 Ca -0.06 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.65 1cff h THR 34 Cb 1.42 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1cff h THR 34 CO 0.16 0.19 -0.51 1.62 0.37 0.00 0.00 175.52 177.35 1cff h VAL 35 N 1.04 0.99 0.00 3.16 3.04 -1.50 -1.97 116.25 121.01 1cff h VAL 35 Ca 0.40 -2.08 0.00 0.00 -1.01 0.00 0.00 66.70 64.01 1cff h VAL 35 Cb 0.20 2.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1cff h VAL 35 CO -0.18 0.50 -0.19 0.80 -1.01 0.00 0.00 177.57 177.49 1cff n MET 36 N -3.37 0.10 -0.08 4.17 0.00 -0.29 -1.17 117.12 116.48 1cff n MET 36 Ca 0.01 0.06 -0.09 0.00 0.00 0.00 0.00 57.70 57.68 1cff n MET 36 Cb 0.67 -1.59 -0.12 0.00 0.00 0.00 0.00 33.22 32.17 1cff n MET 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1cff n ARG 37 N -1.75 1.23 0.04 2.12 0.63 0.42 0.21 116.66 119.56 1cff n ARG 37 Ca 0.06 0.02 0.12 0.00 -0.92 0.00 0.00 57.85 57.12 1cff n ARG 37 Cb 0.37 -1.41 0.11 0.00 0.45 0.00 0.00 32.46 31.98 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 -2.69 0.64 0.05 6.15 7.64 -0.75 -4.25 113.62 120.42 1cff n SER 38 Ca -0.28 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.51 1cff n SER 38 Cb 0.99 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.67 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 -1.97 -0.00 0.10 -3.43 4.32 -0.73 -4.84 117.00 110.46 1cff n LEU 39 Ca 0.03 0.18 0.08 0.00 -0.02 0.00 0.00 56.01 56.28 1cff n LEU 39 Cb 0.43 0.13 0.39 0.00 -1.62 0.00 0.00 43.42 42.74 1cff n LEU 39 CO 0.38 -0.62 0.73 0.61 -1.22 0.00 0.00 177.39 177.27 1cff n GLY 40 N 1.79 -0.80 2.77 -0.72 0.00 -0.31 -4.72 105.19 103.19 1cff n GLY 40 Ca 0.00 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.99 0.00 0.08 1.61 10.64 0.57 -3.85 117.38 124.43 1cff n GLN 41 Ca -0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1cff n GLN 41 Cb 0.05 -0.86 0.00 0.00 -0.86 0.00 0.00 30.24 28.57 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 5.05 -1.35 -3.65 2.61 5.03 -1.26 -5.03 115.26 116.66 1cff n ASN 42 Ca 0.54 0.35 0.00 0.00 0.87 0.00 0.00 54.58 56.34 1cff n ASN 42 Cb 0.10 1.51 0.00 0.00 -1.02 0.00 0.00 39.78 40.36 1cff n ASN 42 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1cff n PRO 43 N -2.78 1.82 -2.50 3.52 -0.02 -1.25 -4.99 135.00 128.80 1cff n PRO 43 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 1cff n PRO 43 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 1cff n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1cff s THR 44 N 0.00 4.32 0.34 3.45 -4.23 -1.26 -4.96 115.64 113.29 1cff s THR 44 Ca 0.00 1.24 0.03 0.00 -1.18 0.00 0.00 61.69 61.78 1cff s THR 44 Cb 0.00 -3.61 0.20 0.00 1.34 0.00 0.00 72.50 70.42 1cff s THR 44 CO 0.00 -0.51 1.92 -0.08 -0.54 0.00 0.00 174.62 175.41 1cff h GLU 45 N 1.22 0.68 0.00 3.99 4.81 -2.00 -2.41 114.58 120.88 1cff h GLU 45 Ca -0.48 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 1cff h GLU 45 Cb 1.19 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1cff h GLU 45 CO 0.61 0.57 -0.51 0.00 -0.73 0.00 0.00 179.01 178.95 1cff n ALA 46 N -2.46 2.83 -0.33 2.92 0.00 -1.26 -4.30 120.51 117.90 1cff n ALA 46 Ca 0.04 -0.21 0.23 0.00 0.00 0.00 0.00 53.44 53.49 1cff n ALA 46 Cb 0.16 -1.22 0.44 0.00 0.00 0.00 0.00 19.45 18.83 1cff n ALA 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1cff h GLU 47 N 0.00 0.05 -0.55 0.00 -0.00 -1.81 1.51 114.58 113.78 1cff h GLU 47 Ca 0.00 -0.00 0.13 0.00 -0.00 0.00 0.00 59.36 59.48 1cff h GLU 47 Cb 0.74 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 29.45 1cff h GLU 47 CO 0.00 0.03 0.38 1.37 -0.00 0.00 0.00 179.01 180.79 1cff h LEU 48 N 0.05 0.17 -0.59 3.06 -0.00 -1.77 1.73 115.31 117.96 1cff h LEU 48 Ca 0.72 0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 58.45 1cff h LEU 48 Cb 1.70 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 42.33 1cff h LEU 48 CO -0.81 0.10 -0.52 -0.61 -0.00 0.00 0.00 178.44 176.60 1cff h GLN 49 N 0.18 0.51 0.01 0.17 5.75 0.18 0.20 115.11 122.10 1cff h GLN 49 Ca 0.26 -0.30 -0.19 0.00 -0.15 0.00 0.00 58.65 58.27 1cff h GLN 49 Cb 0.78 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 1cff h GLN 49 CO -0.04 0.90 -0.87 0.22 -2.65 0.00 0.00 178.83 176.39 1cff h ASP 50 N 0.40 0.11 0.75 -0.69 3.58 0.56 0.24 116.42 121.37 1cff h ASP 50 Ca 0.01 -0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.27 1cff h ASP 50 Cb 1.04 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 1cff h ASP 50 CO 0.09 0.92 -0.47 -0.03 -2.88 0.00 0.00 179.24 176.88 1cff h MET 51 N 0.04 0.00 0.00 0.28 4.05 0.26 -0.94 114.93 118.63 1cff h MET 51 Ca -0.03 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.26 1cff h MET 51 Cb 1.51 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.29 1cff h MET 51 CO 0.12 0.47 -0.78 0.82 0.23 0.00 0.00 176.91 177.78 1cff h ILE 52 N 0.00 0.96 0.00 1.77 1.08 -0.47 -3.35 117.51 117.49 1cff h ILE 52 Ca -0.00 -1.99 0.00 0.00 -0.39 0.00 0.00 64.86 62.47 1cff h ILE 52 Cb 0.98 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.81 1cff h ILE 52 CO 0.06 0.32 0.00 -3.20 -0.69 0.00 0.00 178.15 174.65 1cff n ASN 53 N -4.52 0.23 0.08 1.72 5.15 0.82 -2.15 115.26 116.58 1cff n ASN 53 Ca -0.22 0.57 -0.05 0.00 -0.60 0.00 0.00 54.58 54.29 1cff n ASN 53 Cb 0.54 -0.61 -0.06 0.00 -0.53 0.00 0.00 39.78 39.11 1cff n ASN 53 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1cff h GLU 54 N 0.00 0.00 -0.01 1.20 4.39 -1.30 -3.25 114.58 115.62 1cff h GLU 54 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1cff h GLU 54 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1cff h GLU 54 CO 0.00 0.87 -0.67 1.55 -1.16 0.00 0.00 179.01 179.60 1cff n VAL 55 N -3.37 0.00 -0.71 3.13 3.14 -0.92 -4.73 118.33 114.88 1cff n VAL 55 Ca 0.00 -0.09 -0.37 0.00 -2.96 0.00 0.00 64.34 60.92 1cff n VAL 55 Cb 0.87 0.85 -0.07 0.00 -1.06 0.00 0.00 33.84 34.43 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 1.81 -0.14 6.55 8.00 -1.09 -4.55 116.55 126.14 1cff n ASP 56 Ca 0.07 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 53.08 1cff n ASP 56 Cb 0.37 -0.78 0.27 0.00 -0.02 0.00 0.00 41.12 40.96 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 8.64 1.44 0.00 2.24 0.00 -1.89 -2.44 119.26 127.25 1cff h ALA 57 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1cff h ALA 57 Cb 0.56 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1cff h ALA 57 CO 1.84 0.46 -1.32 -0.40 0.00 0.00 0.00 179.25 179.84 1cff n ASP 58 N -4.39 1.14 -4.26 0.00 5.68 -1.26 -5.01 116.55 108.46 1cff n ASP 58 Ca 0.06 -0.34 -0.31 0.00 -0.50 0.00 0.00 54.79 53.69 1cff n ASP 58 Cb 0.09 1.43 -0.08 0.00 -1.14 0.00 0.00 41.12 41.42 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 1.51 -0.19 0.08 6.12 0.00 -0.92 -4.87 105.19 106.91 1cff n GLY 59 Ca -0.01 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.86 0.00 0.00 1.61 7.08 -1.95 -3.48 115.58 116.98 1cff h ASN 60 Ca -0.66 -0.54 0.00 0.00 -3.08 0.00 0.00 56.30 52.02 1cff h ASN 60 Cb 1.40 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.64 1cff h ASN 60 CO 0.68 1.02 0.00 0.61 -2.08 0.00 0.00 177.43 177.66 1cff n GLY 61 N 1.59 -0.69 0.00 9.14 0.00 -1.26 -5.17 105.19 108.80 1cff n GLY 61 Ca -0.14 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.88 0.00 -2.48 2.61 -2.24 -1.26 -5.01 114.28 103.01 1cff n THR 62 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1cff n THR 62 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.41 3.85 0.08 2.28 1.09 -0.36 -4.89 121.20 120.85 1cff s ILE 63 Ca 0.00 0.71 0.01 0.00 -1.10 0.00 0.00 60.65 60.27 1cff s ILE 63 Cb 0.00 -4.62 -0.04 0.00 -1.06 0.00 0.00 42.46 36.74 1cff s ILE 63 CO 0.00 -1.35 0.22 -0.62 -0.10 0.00 0.00 174.94 173.09 1cff s ASP 64 N 3.82 6.32 0.17 3.58 2.15 -1.26 -2.46 116.67 128.99 1cff s ASP 64 Ca 0.46 0.23 -0.26 0.00 0.43 0.00 0.00 52.55 53.41 1cff s ASP 64 Cb -0.09 -1.93 0.02 0.00 -0.30 0.00 0.00 42.92 40.62 1cff s ASP 64 CO 0.23 0.14 1.49 0.33 -0.17 0.00 0.00 175.17 177.19 1cff n PHE 65 N 0.09 -0.29 0.25 -5.34 7.35 -1.26 0.67 117.46 118.93 1cff n PHE 65 Ca -0.06 1.20 0.09 0.00 -0.76 0.00 0.00 57.45 57.93 1cff n PHE 65 Cb 0.52 -0.66 0.65 0.00 0.35 0.00 0.00 39.48 40.34 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 0.32 -7.13 0.13 -1.98 0.46 132.00 123.80 1cff h PRO 66 Ca 0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.32 1cff h PRO 66 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1cff h PRO 66 CO -0.92 0.11 -0.15 1.49 -0.23 0.00 0.00 178.00 178.30 1cff h GLU 67 N 0.00 -0.41 0.00 0.86 4.81 -0.10 -1.04 114.58 118.69 1cff h GLU 67 Ca -0.00 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1cff h GLU 67 Cb 0.23 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1cff h GLU 67 CO 0.01 -0.22 -0.08 0.35 -0.73 0.00 0.00 179.01 178.35 1cff h PHE 68 N -1.09 0.00 0.46 0.92 3.04 -0.41 -2.41 116.94 117.44 1cff h PHE 68 Ca -0.04 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 1cff h PHE 68 Cb 0.38 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.89 1cff h PHE 68 CO 0.01 0.08 -0.22 1.25 -2.02 0.00 0.00 178.31 177.41 1cff h LEU 69 N 0.00 -0.52 -0.86 0.59 5.85 -0.94 -2.59 115.31 116.85 1cff h LEU 69 Ca -0.00 -0.07 0.18 0.00 0.84 0.00 0.00 57.88 58.83 1cff h LEU 69 Cb 0.15 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.20 1cff h LEU 69 CO 0.01 -0.11 0.40 0.71 -0.34 0.00 0.00 178.44 179.11 1cff h THR 70 N -1.06 0.60 -0.89 1.05 1.35 -0.97 0.35 112.91 113.35 1cff h THR 70 Ca -0.06 -0.17 0.01 0.00 -0.55 0.00 0.00 66.41 65.63 1cff h THR 70 Cb 0.56 0.06 -0.04 0.00 -1.73 0.00 0.00 68.15 67.00 1cff h THR 70 CO 0.10 0.09 0.58 -0.03 -0.25 0.00 0.00 175.52 176.02 1cff h MET 71 N 0.50 1.17 0.00 4.72 4.05 -1.46 0.32 114.93 124.23 1cff h MET 71 Ca 0.50 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.83 1cff h MET 71 Cb 0.83 -0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1cff h MET 71 CO -0.44 0.78 -0.09 1.98 0.23 0.00 0.00 176.91 179.37 1cff h MET 72 N 1.21 0.00 0.00 0.39 -1.53 -0.17 -3.37 114.93 111.45 1cff h MET 72 Ca 0.32 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.58 1cff h MET 72 Cb -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 30.92 1cff h MET 72 CO -0.07 0.09 -0.18 0.00 0.14 0.00 0.00 176.91 176.89 1cff h ALA 73 N 1.91 0.00 -3.15 0.39 0.00 0.62 -3.48 119.26 115.56 1cff h ALA 73 Ca -0.00 -0.25 -0.66 0.00 0.00 0.00 0.00 54.91 54.00 1cff h ALA 73 Cb 1.01 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 1cff h ALA 73 CO 0.01 0.18 -0.59 -0.98 0.00 0.00 0.00 179.25 177.87 1cff s ARG 74 N -1.56 3.02 -0.35 0.00 1.70 0.10 -5.02 118.95 116.84 1cff s ARG 74 Ca -0.05 -0.50 0.13 0.00 -0.47 0.00 0.00 55.73 54.84 1cff s ARG 74 Cb 0.01 -2.83 0.42 0.00 -0.57 0.00 0.00 34.95 31.98 1cff s ARG 74 CO 0.08 0.65 1.32 0.36 -1.08 0.00 0.00 175.30 176.63 1cff n LYS 75 N 1.28 1.30 -4.57 3.89 2.85 -1.26 -4.34 118.16 117.31 1cff n LYS 75 Ca -0.14 -2.06 -0.27 0.00 -1.05 0.00 0.00 58.31 54.79 1cff n LYS 75 Cb 0.53 -0.27 -0.08 0.00 -0.65 0.00 0.00 35.03 34.55 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 -0.82 1.99 0.00 -1.58 1.00 -1.26 -5.17 119.30 113.46 1cff s MET 76 Ca 0.20 -2.22 0.00 0.00 0.00 0.00 0.00 55.69 53.66 1cff s MET 76 Cb 0.42 -0.83 0.00 0.00 0.00 0.00 0.00 34.83 34.41 1cff s MET 76 CO -0.08 -0.44 0.00 1.17 0.00 0.00 0.00 175.02 175.67 1cff n LYS 77 N -0.99 1.15 0.00 2.03 3.00 -1.26 -5.09 118.16 117.00 1cff n LYS 77 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1cff n LYS 77 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.68 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 0.00 0.00 -2.95 3.14 5.68 -1.26 -5.07 116.55 116.09 1cff n ASP 78 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.31 1cff n ASP 78 Cb 0.00 -0.02 -0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1cff n ASP 78 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1cff s THR 79 N -0.06 -0.51 -0.40 2.12 -4.23 -1.26 -5.07 115.64 106.23 1cff s THR 79 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1cff s THR 79 Cb 0.00 -0.03 0.24 0.00 1.34 0.00 0.00 72.50 74.05 1cff s THR 79 CO 0.00 0.00 0.54 -0.90 -0.54 0.00 0.00 174.62 173.72 1cff n ASP 80 N 4.05 -0.24 -0.16 3.99 5.68 -1.26 -5.12 116.55 123.48 1cff n ASP 80 Ca 0.08 -2.73 0.00 0.00 -0.50 0.00 0.00 54.79 51.64 1cff n ASP 80 Cb 0.61 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1cff n ASP 80 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1cff n SER 81 N 1.58 -2.70 -4.46 -1.12 2.88 -1.26 -4.60 113.62 103.94 1cff n SER 81 Ca 0.21 0.00 -0.49 0.00 -1.33 0.00 0.00 58.87 57.25 1cff n SER 81 Cb 0.54 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 1cff n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1cff n GLU 82 N -0.33 1.13 0.08 -1.46 2.13 -1.26 -4.57 120.64 116.36 1cff n GLU 82 Ca 0.00 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1cff n GLU 82 Cb 0.00 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.17 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 8.29 0.00 -0.06 5.31 4.07 -1.26 -4.91 120.64 132.09 1cff n GLU 83 Ca 0.41 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.42 1cff n GLU 83 Cb 0.26 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.58 1cff n GLU 83 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1cff n GLU 84 N -2.98 0.28 0.24 5.31 0.28 -1.26 -4.48 120.64 118.04 1cff n GLU 84 Ca 0.00 0.08 0.16 0.00 -0.16 0.00 0.00 57.16 57.24 1cff n GLU 84 Cb 0.00 -1.17 0.85 0.00 1.43 0.00 0.00 31.44 32.55 1cff n GLU 84 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1cff h ILE 85 N -0.10 0.00 -1.08 3.84 5.03 -1.94 -2.44 117.51 120.83 1cff h ILE 85 Ca -0.27 -0.06 0.31 0.00 -0.12 0.00 0.00 64.86 64.72 1cff h ILE 85 Cb 1.37 0.81 -0.04 0.00 -3.03 0.00 0.00 36.82 35.93 1cff h ILE 85 CO -0.07 0.00 0.94 -0.09 -0.68 0.00 0.00 178.15 178.25 1cff h ARG 86 N 0.00 0.00 0.00 2.37 2.43 -1.91 1.64 114.38 118.91 1cff h ARG 86 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1cff h ARG 86 Cb 0.07 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1cff h ARG 86 CO 0.00 0.00 -0.02 1.49 -1.51 0.00 0.00 179.97 179.93 1cff h GLU 87 N 0.00 0.00 -0.46 0.20 4.57 -1.76 -2.39 114.58 114.73 1cff h GLU 87 Ca 0.51 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.75 1cff h GLU 87 Cb 2.39 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.96 1cff h GLU 87 CO -0.01 0.74 0.31 0.00 -1.18 0.00 0.00 179.01 178.87 1cff h ALA 88 N -0.27 1.95 -0.67 2.92 0.00 -0.51 0.79 119.26 123.46 1cff h ALA 88 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1cff h ALA 88 Cb 0.74 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1cff h ALA 88 CO -0.00 -0.03 0.27 0.35 0.00 0.00 0.00 179.25 179.84 1cff h PHE 89 N 0.38 1.02 0.00 0.00 3.57 0.21 0.25 116.94 122.37 1cff h PHE 89 Ca 0.20 -0.08 -0.20 0.00 3.53 0.00 0.00 57.97 61.43 1cff h PHE 89 Cb 0.31 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1cff h PHE 89 CO -0.00 0.79 -0.93 -0.09 -2.23 0.00 0.00 178.31 175.85 1cff h ARG 90 N 0.95 0.00 -0.46 1.11 9.65 -0.47 -1.39 114.38 123.76 1cff h ARG 90 Ca 0.22 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.04 1cff h ARG 90 Cb 0.21 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 1cff h ARG 90 CO -0.02 0.93 0.02 0.28 2.80 0.00 0.00 179.97 183.99 1cff h VAL 91 N 0.00 1.23 -0.01 0.20 2.07 0.99 -2.85 116.25 117.89 1cff h VAL 91 Ca -0.01 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1cff h VAL 91 Cb 1.71 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1cff h VAL 91 CO 0.12 0.33 -0.64 0.33 0.02 0.00 0.00 177.57 177.74 1cff n PHE 92 N -4.23 0.00 0.64 1.57 -0.00 0.82 -4.18 117.46 112.08 1cff n PHE 92 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.60 1cff n PHE 92 Cb 0.28 -0.06 0.37 0.00 -0.00 0.00 0.00 39.48 40.08 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1cff n ASP 93 N -0.87 0.75 -1.97 -2.13 -0.08 -0.53 -4.59 116.55 107.13 1cff n ASP 93 Ca 0.07 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 1cff n ASP 93 Cb 0.38 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.25 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 -2.18 -2.42 0.00 -0.67 4.81 -1.22 -3.34 118.16 113.14 1cff n LYS 94 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1cff n LYS 94 Cb 0.43 -3.56 0.00 0.00 0.02 0.00 0.00 35.03 31.91 1cff n LYS 94 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1cff n ASP 95 N -1.00 -0.09 0.00 3.14 5.68 -1.26 -5.01 116.55 118.01 1cff n ASP 95 Ca 0.00 0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.64 1cff n ASP 95 Cb 0.36 0.42 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 1cff n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 96 N -1.01 0.65 0.27 6.12 0.00 -1.21 -5.08 105.19 104.93 1cff n GLY 96 Ca 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 1.70 0.00 1.61 5.03 -1.26 -5.04 115.26 117.29 1cff n ASN 97 Ca 0.00 0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.68 1cff n ASN 97 Cb 0.00 -0.63 0.00 0.00 -1.02 0.00 0.00 39.78 38.13 1cff n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cff n GLY 98 N 1.68 1.30 3.57 7.41 0.00 -1.26 -5.12 105.19 112.78 1cff n GLY 98 Ca -0.44 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.12 2.77 -0.99 1.61 1.51 -1.26 -3.91 117.35 116.96 1cff s TYR 99 Ca 0.00 -0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 55.78 1cff s TYR 99 Cb 0.00 -1.50 0.18 0.00 -0.11 0.00 0.00 41.96 40.53 1cff s TYR 99 CO 0.00 0.39 1.11 0.42 -1.11 0.00 0.00 175.55 176.36 1cff s ILE 100 N -1.12 5.17 0.32 2.71 1.01 -1.06 -4.89 121.20 123.34 1cff s ILE 100 Ca 0.19 -2.26 -0.29 0.00 0.00 0.00 0.00 60.65 58.29 1cff s ILE 100 Cb -0.11 -4.71 -0.11 0.00 0.01 0.00 0.00 42.46 37.53 1cff s ILE 100 CO 0.11 -1.38 1.51 -0.55 0.00 0.00 0.00 174.94 174.63 1cff s SER 101 N 2.81 6.42 0.43 3.58 0.15 -1.26 -4.31 113.70 121.53 1cff s SER 101 Ca 0.31 2.94 0.39 0.00 0.70 0.00 0.00 55.95 60.29 1cff s SER 101 Cb -0.06 -2.65 1.36 0.00 -1.71 0.00 0.00 66.02 62.96 1cff s SER 101 CO -0.07 -0.85 1.24 0.00 1.20 0.00 0.00 173.24 174.76 1cff n ALA 102 N 1.44 1.47 -0.14 5.45 0.00 -1.26 -1.45 120.51 126.01 1cff n ALA 102 Ca 0.05 0.54 -0.06 0.00 0.00 0.00 0.00 53.44 53.97 1cff n ALA 102 Cb 0.39 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 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 0.84 -0.39 0.24 0.00 0.00 -1.98 1.45 119.26 119.42 1cff h ALA 103 Ca 0.74 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.69 1cff h ALA 103 Cb 2.93 1.05 -0.03 0.00 0.00 0.00 0.00 17.79 21.74 1cff h ALA 103 CO -0.05 -0.55 -0.48 0.93 0.00 0.00 0.00 179.25 179.10 1cff h GLU 104 N -0.09 -0.75 -1.31 0.00 3.07 -1.51 0.41 114.58 114.40 1cff h GLU 104 Ca 0.06 0.05 0.41 0.00 -0.50 0.00 0.00 59.36 59.38 1cff h GLU 104 Cb 0.24 0.17 -0.11 0.00 -0.84 0.00 0.00 28.75 28.20 1cff h GLU 104 CO -0.37 -0.50 0.86 -0.07 -1.40 0.00 0.00 179.01 177.53 1cff h LEU 105 N -0.78 0.25 0.06 1.33 -0.00 -1.39 1.67 115.31 116.44 1cff h LEU 105 Ca -0.03 0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1cff h LEU 105 Cb 0.74 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1cff h LEU 105 CO -0.19 -0.11 -0.03 -0.09 -0.00 0.00 0.00 178.44 178.02 1cff h ARG 106 N 0.13 -0.07 0.00 1.13 2.43 0.36 -2.56 114.38 115.79 1cff h ARG 106 Ca 0.77 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.80 1cff h ARG 106 Cb 2.45 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 32.00 1cff h ARG 106 CO -0.35 -0.05 -0.69 1.25 -1.51 0.00 0.00 179.97 178.63 1cff h HIS 107 N -0.78 0.00 0.23 2.20 2.76 -0.54 -2.06 115.15 116.97 1cff h HIS 107 Ca -0.01 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.82 1cff h HIS 107 Cb 0.06 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.05 1cff h HIS 107 CO 0.00 0.69 -1.55 0.28 -1.30 0.00 0.00 177.93 176.05 1cff h VAL 108 N 0.00 1.19 0.00 5.26 2.07 0.23 -2.58 116.25 122.43 1cff h VAL 108 Ca -0.01 -2.67 0.00 0.00 0.82 0.00 0.00 66.70 64.84 1cff h VAL 108 Cb 1.33 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 34.06 1cff h VAL 108 CO 0.09 0.83 -0.33 0.80 0.02 0.00 0.00 177.57 178.98 1cff n MET 109 N -3.67 0.26 -0.02 1.57 0.00 -0.97 -1.64 117.12 112.65 1cff n MET 109 Ca -0.19 0.14 -0.08 0.00 0.00 0.00 0.00 57.70 57.57 1cff n MET 109 Cb 1.09 -1.72 -0.14 0.00 0.00 0.00 0.00 33.22 32.45 1cff n MET 109 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1cff n THR 110 N -2.13 1.57 0.02 1.12 5.66 -0.77 -3.21 114.28 116.55 1cff n THR 110 Ca 0.04 -0.80 -0.09 0.00 -3.05 0.00 0.00 64.05 60.16 1cff n THR 110 Cb 0.43 -0.98 -0.13 0.00 -1.55 0.00 0.00 70.33 68.09 1cff n THR 110 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 175.07 170.89 1cff h ASN 111 N 0.00 0.04 -0.03 1.09 -1.24 -1.51 -3.36 115.58 110.57 1cff h ASN 111 Ca -0.30 -0.06 0.01 0.00 0.71 0.00 0.00 56.30 56.66 1cff h ASN 111 Cb 2.01 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 41.03 1cff h ASN 111 CO 0.07 1.05 -0.05 0.25 -1.29 0.00 0.00 177.43 177.47 1cff h LEU 112 N 0.01 -0.16 0.00 0.34 5.85 -1.46 -3.46 115.31 116.43 1cff h LEU 112 Ca -0.16 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1cff h LEU 112 Cb 1.91 0.07 0.00 0.00 0.37 0.00 0.00 40.66 43.01 1cff h LEU 112 CO 0.11 -0.08 0.00 0.61 -0.34 0.00 0.00 178.44 178.74 1cff n GLY 113 N -1.17 -0.46 2.42 3.75 0.00 -1.25 -5.11 105.19 103.37 1cff n GLY 113 Ca -0.06 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.31 -1.73 -2.65 1.61 -0.58 -1.20 -5.00 120.64 108.80 1cff n GLU 114 Ca 0.00 -1.24 -0.19 0.00 -0.42 0.00 0.00 57.16 55.30 1cff n GLU 114 Cb 0.00 -1.00 0.01 0.00 -0.57 0.00 0.00 31.44 29.87 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 -3.33 2.34 -2.24 3.49 4.81 -1.26 -4.10 118.16 117.87 1cff n LYS 115 Ca 0.10 -3.97 -0.38 0.00 -0.87 0.00 0.00 58.31 53.20 1cff n LYS 115 Cb 0.39 -1.82 -0.03 0.00 0.02 0.00 0.00 35.03 33.59 1cff n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1cff s LEU 116 N -3.29 3.25 1.15 3.14 1.43 -1.26 -4.98 118.68 118.12 1cff s LEU 116 Ca 0.39 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.15 1cff s LEU 116 Cb 0.41 -2.55 0.17 0.00 0.03 0.00 0.00 46.19 44.25 1cff s LEU 116 CO -0.09 -2.19 0.34 0.35 0.23 0.00 0.00 176.35 174.99 1cff n THR 117 N 7.02 0.00 0.29 5.49 -2.24 -1.26 -4.51 114.28 119.07 1cff n THR 117 Ca 0.19 -0.36 0.18 0.00 -2.27 0.00 0.00 64.05 61.79 1cff n THR 117 Cb 0.50 -0.74 0.84 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.30 0.00 0.04 3.42 3.58 -1.94 -1.05 116.42 118.17 1cff h ASP 118 Ca -0.57 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.88 1cff h ASP 118 Cb 1.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1cff h ASP 118 CO 0.42 0.03 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.46 1cff h GLU 119 N 0.00 -0.05 -0.41 0.28 5.08 -1.99 -2.64 114.58 114.85 1cff h GLU 119 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1cff h GLU 119 Cb 0.35 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1cff h GLU 119 CO 0.00 -0.03 0.22 1.05 -1.00 0.00 0.00 179.01 179.25 1cff h GLU 120 N -0.88 0.57 -0.73 2.33 4.11 -1.90 -2.82 114.58 115.27 1cff h GLU 120 Ca -0.01 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 59.29 1cff h GLU 120 Cb 0.04 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1cff h GLU 120 CO 0.01 0.47 0.22 -0.24 0.07 0.00 0.00 179.01 179.53 1cff h VAL 121 N 0.53 1.26 -0.86 -1.06 3.04 -1.37 -2.58 116.25 115.21 1cff h VAL 121 Ca 0.14 -0.92 0.13 0.00 -1.01 0.00 0.00 66.70 65.05 1cff h VAL 121 Cb 0.06 0.48 -0.09 0.00 -2.01 0.00 0.00 31.29 29.73 1cff h VAL 121 CO -0.02 0.36 0.47 -0.78 -1.01 0.00 0.00 177.57 176.59 1cff h ASP 122 N 1.08 0.61 -0.28 3.17 3.58 -1.23 0.23 116.42 123.58 1cff h ASP 122 Ca 0.23 0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.70 1cff h ASP 122 Cb 0.32 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1cff h ASP 122 CO -0.01 0.28 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.29 1cff h GLU 123 N 0.70 0.62 -0.70 0.28 5.08 -1.23 -1.49 114.58 117.84 1cff h GLU 123 Ca 0.46 -0.15 0.13 0.00 -1.00 0.00 0.00 59.36 58.79 1cff h GLU 123 Cb 0.58 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1cff h GLU 123 CO -0.33 0.66 0.47 1.98 -1.00 0.00 0.00 179.01 180.79 1cff h MET 124 N 0.59 0.43 0.00 2.33 4.05 -0.23 0.47 114.93 122.57 1cff h MET 124 Ca 0.12 -0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.36 1cff h MET 124 Cb 0.41 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1cff h MET 124 CO 0.02 0.28 -1.01 0.82 0.23 0.00 0.00 176.91 177.25 1cff h ILE 125 N 0.44 0.79 -0.13 1.77 1.08 -1.00 -1.73 117.51 118.74 1cff h ILE 125 Ca 0.34 -2.27 -0.09 0.00 -0.39 0.00 0.00 64.86 62.45 1cff h ILE 125 Cb 0.70 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.75 1cff h ILE 125 CO -0.10 0.45 -0.26 0.03 -0.69 0.00 0.00 178.15 177.58 1cff h ARG 126 N 0.00 0.39 0.00 2.37 3.08 0.25 0.65 114.38 121.12 1cff h ARG 126 Ca -0.09 -0.26 -0.14 0.00 0.07 0.00 0.00 59.98 59.56 1cff h ARG 126 Cb 1.54 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.61 1cff h ARG 126 CO 0.06 0.86 -0.68 1.05 -1.07 0.00 0.00 179.97 180.20 1cff h GLU 127 N -0.02 0.00 -0.07 0.04 -0.00 -0.33 -3.15 114.58 111.05 1cff h GLU 127 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 59.36 59.12 1cff h GLU 127 Cb 0.85 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.61 1cff h GLU 127 CO 0.06 0.68 -0.93 0.00 -0.00 0.00 0.00 179.01 178.81 1cff h ALA 128 N 1.32 0.21 -0.32 1.06 0.00 -1.22 -3.42 119.26 116.90 1cff h ALA 128 Ca -0.01 -0.66 -0.18 0.00 0.00 0.00 0.00 54.91 54.07 1cff h ALA 128 Cb 1.28 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1cff h ALA 128 CO 0.09 0.69 0.89 -3.47 0.00 0.00 0.00 179.25 177.44 1cff n ASP 129 N -3.89 0.72 -0.00 0.00 2.03 0.23 -4.75 116.55 110.88 1cff n ASP 129 Ca -0.09 -1.03 -0.00 0.00 0.52 0.00 0.00 54.79 54.19 1cff n ASP 129 Cb 0.82 -1.26 -0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1cff n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1cff h ILE 130 N 7.49 0.00 -1.36 5.18 5.03 -1.85 -3.35 117.51 128.65 1cff h ILE 130 Ca -0.01 -0.02 0.45 0.00 -0.12 0.00 0.00 64.86 65.16 1cff h ILE 130 Cb 1.08 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.74 1cff h ILE 130 CO 1.24 0.00 0.88 -2.24 -0.68 0.00 0.00 178.15 177.35 1cff h ASP 131 N -0.02 0.22 -1.53 1.72 3.04 -1.95 -3.45 116.42 114.45 1cff h ASP 131 Ca -0.00 0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.92 1cff h ASP 131 Cb 0.00 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 38.41 1cff h ASP 131 CO 0.00 -0.18 0.00 0.61 -2.04 0.00 0.00 179.24 177.63 1cff n GLY 132 N -1.54 0.67 0.10 7.15 0.00 -1.26 -5.02 105.19 105.30 1cff n GLY 132 Ca 0.38 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.76 0.46 0.00 1.61 8.00 -1.26 -4.98 116.55 119.62 1cff n ASP 133 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1cff n ASP 133 Cb 0.31 0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 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 1.75 0.95 0.00 0.44 0.00 -1.26 -5.07 105.19 102.00 1cff n GLY 134 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.99 1.61 7.27 -1.26 -5.03 117.38 115.98 1cff n GLN 135 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 1cff n GLN 135 Cb 0.00 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.50 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 0.61 1.75 -0.26 1.69 1.01 -1.26 -4.23 120.40 119.71 1cff s VAL 136 Ca 0.00 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 60.44 1cff s VAL 136 Cb 0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1cff s VAL 136 CO 0.00 -0.04 0.64 0.21 0.00 0.00 0.00 175.10 175.91 1cff s ASN 137 N 1.30 6.58 0.48 3.32 3.84 -1.26 -2.56 114.94 126.63 1cff s ASN 137 Ca -0.06 0.68 0.42 0.00 0.21 0.00 0.00 52.86 54.11 1cff s ASN 137 Cb -0.19 -2.34 1.51 0.00 -0.55 0.00 0.00 41.25 39.68 1cff s ASN 137 CO -0.06 -0.40 1.40 0.00 -2.79 0.00 0.00 177.10 175.26 1cff n TYR 138 N 5.76 0.14 -0.36 0.43 9.36 -1.25 0.19 117.16 131.43 1cff n TYR 138 Ca -0.00 0.15 0.09 0.00 3.32 0.00 0.00 57.90 61.46 1cff n TYR 138 Cb 0.49 -0.59 0.27 0.00 -0.63 0.00 0.00 39.34 38.88 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 0.87 -0.01 2.98 -0.00 -1.93 0.37 114.58 116.87 1cff h GLU 139 Ca 0.84 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.36 60.12 1cff h GLU 139 Cb 3.22 -0.20 0.00 0.00 -0.00 0.00 0.00 28.75 31.77 1cff h GLU 139 CO -0.10 0.58 -0.09 0.93 -0.00 0.00 0.00 179.01 180.33 1cff h GLU 140 N 0.90 0.07 -0.98 1.06 5.08 0.16 0.25 114.58 121.12 1cff h GLU 140 Ca 0.53 -0.07 0.22 0.00 -1.00 0.00 0.00 59.36 59.04 1cff h GLU 140 Cb 0.66 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 29.74 1cff h GLU 140 CO -0.31 0.79 -0.16 0.35 -1.00 0.00 0.00 179.01 178.68 1cff h PHE 141 N -0.63 -0.37 0.14 4.33 3.57 -0.94 0.63 116.94 123.68 1cff h PHE 141 Ca -0.01 0.08 -0.32 0.00 3.53 0.00 0.00 57.97 61.25 1cff h PHE 141 Cb 0.82 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 1cff h PHE 141 CO 0.18 -0.42 -1.61 -0.39 -2.23 0.00 0.00 178.31 173.83 1cff h VAL 142 N 0.00 1.07 -0.17 1.41 -1.51 -1.05 -2.85 116.25 113.15 1cff h VAL 142 Ca 0.51 -2.69 0.05 0.00 -1.23 0.00 0.00 66.70 63.34 1cff h VAL 142 Cb 0.88 2.76 -0.01 0.00 -2.13 0.00 0.00 31.29 32.79 1cff h VAL 142 CO -0.98 0.82 0.13 1.56 -1.23 0.00 0.00 177.57 177.87 1cff h GLN 143 N 0.08 0.00 0.17 5.19 4.20 0.13 1.46 115.11 126.34 1cff h GLN 143 Ca -0.28 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.12 1cff h GLN 143 Cb 2.05 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.84 1cff h GLN 143 CO 0.17 0.00 -1.49 0.52 -0.67 0.00 0.00 178.83 177.35 1cff h MET 144 N 0.00 0.36 0.00 1.46 2.86 0.06 -3.06 114.93 116.61 1cff h MET 144 Ca 0.08 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 1cff h MET 144 Cb 0.33 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1cff h MET 144 CO -0.00 1.29 -0.22 1.98 1.06 0.00 0.00 176.91 181.02 1cff h MET 145 N -0.08 0.00 0.80 1.72 1.85 -1.14 -3.43 114.93 114.65 1cff h MET 145 Ca -0.30 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 58.75 1cff h MET 145 Cb 1.94 0.00 0.01 0.00 0.43 0.00 0.00 31.60 33.98 1cff h MET 145 CO 0.15 0.00 -0.38 1.79 -0.40 0.00 0.00 176.91 178.07 1cff h THR 146 N -0.47 0.20 -2.15 -0.77 1.35 0.15 -3.45 112.91 107.78 1cff h THR 146 Ca 0.00 -0.03 -0.46 0.00 -0.55 0.00 0.00 66.41 65.36 1cff h THR 146 Cb 0.22 0.21 0.07 0.00 -1.73 0.00 0.00 68.15 66.93 1cff h THR 146 CO 0.00 0.00 0.07 0.00 -0.25 0.00 0.00 175.52 175.35 1cff s ALA 147 N -5.94 3.79 0.00 6.62 0.00 0.12 -4.98 121.76 121.37 1cff s ALA 147 Ca -0.18 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1cff s ALA 147 Cb 0.03 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1cff s ALA 147 CO 0.60 -1.31 0.26 0.36 0.00 0.00 0.00 175.76 175.67