#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddl s PRO 6 N 0.00 3.46 0.33 3.23 0.04 -1.26 -4.61 135.00 136.20 3ddl s PRO 6 Ca 0.00 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 3ddl s PRO 6 Cb 0.00 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 3ddl s PRO 6 CO 0.00 -0.68 1.37 0.99 0.04 0.00 0.00 177.00 178.72 3ddl s THR 7 N -2.78 2.54 0.10 1.26 2.01 -1.26 -4.72 115.64 112.78 3ddl s THR 7 Ca 0.59 0.54 0.10 0.00 0.31 0.00 0.00 61.69 63.23 3ddl s THR 7 Cb -0.13 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 3ddl s THR 7 CO 0.43 0.12 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.46 3ddl s LEU 8 N -1.70 2.26 0.71 4.42 1.43 -0.13 -4.74 118.68 120.93 3ddl s LEU 8 Ca 0.51 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 3ddl s LEU 8 Cb -0.42 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.63 3ddl s LEU 8 CO 0.54 0.19 1.07 0.42 0.23 0.00 0.00 176.35 178.81 3ddl s THR 9 N -0.97 3.78 0.36 5.49 -4.23 -1.26 -0.30 115.64 118.51 3ddl s THR 9 Ca 0.12 0.58 0.06 0.00 -1.18 0.00 0.00 61.69 61.27 3ddl s THR 9 Cb -0.10 -3.41 0.29 0.00 1.34 0.00 0.00 72.50 70.62 3ddl s THR 9 CO 0.04 -0.75 1.96 -0.65 -0.54 0.00 0.00 174.62 174.68 3ddl h PRO 10 N -0.74 0.72 -0.81 3.99 0.11 -1.94 -1.30 132.00 132.02 3ddl h PRO 10 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3ddl h PRO 10 Cb 1.23 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3ddl h PRO 10 CO 0.60 0.47 0.34 0.78 -0.21 0.00 0.00 178.00 179.99 3ddl h GLY 11 N 0.74 1.28 1.05 -0.55 0.00 -1.97 -0.32 103.07 103.31 3ddl h GLY 11 Ca 0.31 -0.68 -0.21 0.00 0.00 0.00 0.00 47.33 46.75 3ddl h GLY 11 CO -0.10 0.64 -0.80 1.46 0.00 0.00 0.00 176.54 177.74 3ddl h GLN 12 N 1.17 0.63 -0.51 4.80 4.20 -1.72 -1.82 115.11 121.86 3ddl h GLN 12 Ca 0.27 -0.61 -0.04 0.00 0.06 0.00 0.00 58.65 58.33 3ddl h GLN 12 Cb 0.19 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3ddl h GLN 12 CO -0.03 1.22 0.15 -0.92 -0.67 0.00 0.00 178.83 178.58 3ddl h TYR 13 N 0.27 0.83 0.00 2.96 3.20 -1.21 -2.96 116.97 120.06 3ddl h TYR 13 Ca -0.09 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.59 3ddl h TYR 13 Cb 1.46 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 3ddl h TYR 13 CO 0.11 0.72 -0.52 0.77 -1.64 0.00 0.00 178.16 177.61 3ddl h SER 14 N 0.70 0.00 -0.12 -2.11 0.02 -1.08 -0.68 113.55 110.28 3ddl h SER 14 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3ddl h SER 14 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3ddl h SER 14 CO -0.00 0.52 0.04 0.25 -1.14 0.00 0.00 176.83 176.49 3ddl h LEU 15 N 0.00 0.18 -0.17 5.07 5.85 -1.24 -1.87 115.31 123.13 3ddl h LEU 15 Ca -0.01 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 3ddl h LEU 15 Cb 1.04 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 3ddl h LEU 15 CO 0.07 0.34 -0.14 0.58 -0.34 0.00 0.00 178.44 178.95 3ddl h VAL 16 N 0.01 1.33 -0.54 1.05 2.07 -1.39 -1.99 116.25 116.80 3ddl h VAL 16 Ca 0.04 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.30 3ddl h VAL 16 Cb 0.22 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3ddl h VAL 16 CO -0.00 0.38 0.36 0.15 0.02 0.00 0.00 177.57 178.47 3ddl h PHE 17 N 0.05 0.67 -0.17 1.57 3.57 -1.14 -0.15 116.94 121.35 3ddl h PHE 17 Ca 0.03 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 3ddl h PHE 17 Cb 0.65 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3ddl h PHE 17 CO 0.08 0.42 -0.48 -0.91 -2.23 0.00 0.00 178.31 175.19 3ddl h ASN 18 N 0.73 0.46 -0.08 0.41 2.35 -1.38 0.26 115.58 118.33 3ddl h ASN 18 Ca 0.20 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3ddl h ASN 18 Cb -0.07 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 3ddl h ASN 18 CO -0.05 0.87 0.04 -0.03 -1.65 0.00 0.00 177.43 176.61 3ddl h MET 19 N 0.34 0.11 -0.40 0.81 4.05 -1.00 0.30 114.93 119.15 3ddl h MET 19 Ca 0.02 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3ddl h MET 19 Cb 0.96 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.72 3ddl h MET 19 CO 0.08 0.19 0.22 0.74 0.23 0.00 0.00 176.91 178.37 3ddl h PHE 20 N 0.01 0.56 -0.74 1.39 0.04 -0.87 -1.68 116.94 115.64 3ddl h PHE 20 Ca 0.03 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3ddl h PHE 20 Cb 0.11 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 3ddl h PHE 20 CO -0.03 0.44 0.39 0.77 -0.60 0.00 0.00 178.31 179.28 3ddl h SER 21 N 0.52 0.93 -0.73 2.17 0.02 -0.72 -1.45 113.55 114.29 3ddl h SER 21 Ca 0.14 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3ddl h SER 21 Cb 0.07 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 3ddl h SER 21 CO -0.02 0.77 0.44 0.15 -1.14 0.00 0.00 176.83 177.03 3ddl h PHE 22 N 1.02 0.98 -0.27 3.45 3.57 -0.18 -2.17 116.94 123.35 3ddl h PHE 22 Ca 0.26 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.58 3ddl h PHE 22 Cb 0.06 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.47 3ddl h PHE 22 CO 0.00 0.66 -0.53 1.15 -2.23 0.00 0.00 178.31 177.37 3ddl h THR 23 N 1.03 1.28 -0.52 4.41 2.02 -0.70 -0.12 112.91 120.31 3ddl h THR 23 Ca 0.27 -1.72 -0.01 0.00 0.77 0.00 0.00 66.41 65.71 3ddl h THR 23 Cb -0.03 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 3ddl h THR 23 CO -0.05 0.56 0.27 0.58 0.37 0.00 0.00 175.52 177.25 3ddl h VAL 24 N 0.62 1.18 -0.51 3.16 2.07 -1.02 -0.46 116.25 121.29 3ddl h VAL 24 Ca 0.02 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 3ddl h VAL 24 Cb 1.12 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3ddl h VAL 24 CO 0.11 0.20 0.02 0.00 0.02 0.00 0.00 177.57 177.92 3ddl h ALA 25 N 1.11 0.69 -0.52 1.67 0.00 -1.22 -1.89 119.26 119.11 3ddl h ALA 25 Ca 0.18 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3ddl h ALA 25 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ddl h ALA 25 CO -0.03 0.49 0.04 1.15 0.00 0.00 0.00 179.25 180.90 3ddl h THR 26 N 0.76 1.26 -0.21 0.00 2.02 -0.83 -0.41 112.91 115.50 3ddl h THR 26 Ca 0.15 -1.03 -0.10 0.00 0.77 0.00 0.00 66.41 66.19 3ddl h THR 26 Cb 0.50 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3ddl h THR 26 CO 0.02 0.37 -0.32 0.24 0.37 0.00 0.00 175.52 176.20 3ddl h MET 27 N 0.76 0.42 -0.27 6.66 2.86 -1.03 -0.64 114.93 123.70 3ddl h MET 27 Ca 0.15 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3ddl h MET 27 Cb 0.47 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3ddl h MET 27 CO 0.02 0.69 -0.12 1.15 1.06 0.00 0.00 176.91 179.71 3ddl h THR 28 N 0.36 1.30 -0.46 2.22 2.02 -1.15 -1.49 112.91 115.72 3ddl h THR 28 Ca 0.05 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 3ddl h THR 28 Cb 0.74 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3ddl h THR 28 CO 0.06 0.38 0.28 0.00 0.37 0.00 0.00 175.52 176.61 3ddl h ALA 29 N 0.74 0.58 -0.03 6.16 0.00 -0.83 -2.09 119.26 123.80 3ddl h ALA 29 Ca 0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3ddl h ALA 29 Cb 0.63 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ddl h ALA 29 CO 0.04 0.07 -0.33 0.66 0.00 0.00 0.00 179.25 179.69 3ddl h SER 30 N 0.61 0.05 0.05 0.00 4.64 -1.06 -0.57 113.55 117.28 3ddl h SER 30 Ca 0.17 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3ddl h SER 30 Cb -0.02 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3ddl h SER 30 CO -0.03 0.38 -0.03 0.15 -0.87 0.00 0.00 176.83 176.43 3ddl h PHE 31 N 0.04 -0.07 -0.54 4.77 3.57 -0.74 0.44 116.94 124.42 3ddl h PHE 31 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3ddl h PHE 31 Cb 0.60 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3ddl h PHE 31 CO 0.00 0.01 0.34 0.28 -2.23 0.00 0.00 178.31 176.71 3ddl h VAL 32 N -0.12 1.11 0.08 1.41 2.07 -1.04 -0.34 116.25 119.41 3ddl h VAL 32 Ca -0.01 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3ddl h VAL 32 Cb 0.10 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3ddl h VAL 32 CO 0.01 0.13 -0.04 0.15 0.02 0.00 0.00 177.57 177.84 3ddl h PHE 33 N 0.69 -0.10 -0.62 1.57 3.57 -0.81 0.63 116.94 121.87 3ddl h PHE 33 Ca 0.20 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 3ddl h PHE 33 Cb -0.04 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3ddl h PHE 33 CO -0.05 -0.04 0.08 0.74 -2.23 0.00 0.00 178.31 176.81 3ddl h PHE 34 N -0.13 1.10 -0.10 0.41 0.04 0.08 0.20 116.94 118.53 3ddl h PHE 34 Ca -0.01 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.60 3ddl h PHE 34 Cb 0.10 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 3ddl h PHE 34 CO -0.07 0.94 0.05 0.28 -0.60 0.00 0.00 178.31 178.92 3ddl h VAL 35 N 0.97 1.10 0.00 -0.55 2.07 -0.91 -2.49 116.25 116.44 3ddl h VAL 35 Ca 0.19 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3ddl h VAL 35 Cb 0.45 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3ddl h VAL 35 CO 0.02 0.09 -0.13 -0.07 0.02 0.00 0.00 177.57 177.50 3ddl h LEU 36 N 0.06 0.00 -0.04 2.57 4.07 -0.65 -2.62 115.31 118.70 3ddl h LEU 36 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3ddl h LEU 36 Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 3ddl h LEU 36 CO -0.01 0.13 0.00 0.00 -1.08 0.00 0.00 178.44 177.48 3ddl n ALA 37 N -2.20 2.25 -0.30 1.53 0.00 0.68 -3.82 120.51 118.64 3ddl n ALA 37 Ca -0.00 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.52 3ddl n ALA 37 Cb 0.33 -1.46 0.28 0.00 0.00 0.00 0.00 19.45 18.60 3ddl n ALA 37 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3ddl h ARG 38 N 0.00 0.12 -0.56 0.00 2.43 -1.06 -0.02 114.38 115.29 3ddl h ARG 38 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ddl h ARG 38 Cb 0.64 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3ddl h ARG 38 CO 0.00 0.08 0.00 0.09 -1.51 0.00 0.00 179.97 178.63 3ddl n ASN 39 N -5.32 3.05 -0.93 -3.80 5.03 -1.25 -3.82 115.26 108.21 3ddl n ASN 39 Ca 0.21 -2.08 0.12 0.00 0.87 0.00 0.00 54.58 53.71 3ddl n ASN 39 Cb 0.70 -0.39 0.12 0.00 -1.02 0.00 0.00 39.78 39.18 3ddl n ASN 39 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3ddl n ASN 40 N 1.00 2.93 -4.37 6.41 3.02 -0.02 -4.93 115.26 119.29 3ddl n ASN 40 Ca 0.18 -1.97 -0.19 0.00 -0.03 0.00 0.00 54.58 52.56 3ddl n ASN 40 Cb 0.51 0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.58 3ddl n ASN 40 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3ddl s VAL 41 N -2.01 1.75 0.41 2.41 -7.23 -1.24 -4.85 120.40 109.65 3ddl s VAL 41 Ca 0.28 -2.20 -0.26 0.00 -1.81 0.00 0.00 61.98 57.99 3ddl s VAL 41 Cb 0.20 -2.16 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 3ddl s VAL 41 CO 0.30 -0.51 1.37 0.00 -0.31 0.00 0.00 175.10 175.95 3ddl s ALA 42 N -2.96 3.31 0.34 1.32 0.00 -1.26 -4.80 121.76 117.71 3ddl s ALA 42 Ca 0.25 1.36 0.18 0.00 0.00 0.00 0.00 51.96 53.75 3ddl s ALA 42 Cb 0.00 -3.54 1.22 0.00 0.00 0.00 0.00 23.12 20.80 3ddl s ALA 42 CO 0.08 -0.98 1.47 -2.30 0.00 0.00 0.00 175.76 174.04 3ddl n PRO 43 N 0.10 -0.06 0.21 0.00 -0.02 -1.26 0.40 135.00 134.37 3ddl n PRO 43 Ca 0.04 1.29 0.14 0.00 -2.02 0.00 0.00 63.50 62.95 3ddl n PRO 43 Cb 0.42 -2.30 0.71 0.00 -0.02 0.00 0.00 33.50 32.32 3ddl n PRO 43 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3ddl h LYS 44 N 0.00 0.00 -0.22 -0.52 2.10 -2.00 -2.45 116.57 113.48 3ddl h LYS 44 Ca 0.78 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.43 3ddl h LYS 44 Cb 2.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.37 3ddl h LYS 44 CO -0.72 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.39 3ddl n TYR 45 N -2.52 0.32 0.22 0.07 4.02 0.16 -4.61 117.16 114.82 3ddl n TYR 45 Ca -0.01 -0.53 0.10 0.00 -0.01 0.00 0.00 57.90 57.45 3ddl n TYR 45 Cb 0.12 -0.05 0.41 0.00 -0.02 0.00 0.00 39.34 39.80 3ddl n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ddl h ARG 46 N 1.29 0.00 -0.39 -0.72 3.08 -1.40 -2.87 114.38 113.38 3ddl h ARG 46 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3ddl h ARG 46 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3ddl h ARG 46 CO 0.01 0.22 -0.12 0.97 -1.07 0.00 0.00 179.97 179.98 3ddl h ILE 47 N 0.00 1.25 -0.09 2.04 6.09 -1.82 -1.74 117.51 123.24 3ddl h ILE 47 Ca -0.00 -1.13 -0.09 0.00 -1.37 0.00 0.00 64.86 62.28 3ddl h ILE 47 Cb 0.81 1.08 -0.01 0.00 0.47 0.00 0.00 36.82 39.17 3ddl h ILE 47 CO 0.03 0.38 -0.33 0.77 -3.07 0.00 0.00 178.15 175.93 3ddl h SER 48 N 0.62 0.18 0.28 2.19 4.64 -1.83 -1.70 113.55 117.93 3ddl h SER 48 Ca 0.11 -0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.19 3ddl h SER 48 Cb 0.56 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3ddl h SER 48 CO 0.03 0.51 -0.71 0.24 -0.87 0.00 0.00 176.83 176.03 3ddl h MET 49 N 0.16 0.38 -0.26 4.77 2.86 -1.46 -1.66 114.93 119.72 3ddl h MET 49 Ca 0.02 -0.31 -0.13 0.00 -2.06 0.00 0.00 59.70 57.23 3ddl h MET 49 Cb 0.67 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3ddl h MET 49 CO 0.05 0.94 -0.37 0.52 1.06 0.00 0.00 176.91 179.11 3ddl h MET 50 N 0.26 0.59 -0.25 1.72 2.07 -1.00 -0.60 114.93 117.72 3ddl h MET 50 Ca -0.03 -0.29 -0.08 0.00 -2.07 0.00 0.00 59.70 57.23 3ddl h MET 50 Cb 1.28 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.00 3ddl h MET 50 CO 0.12 0.87 -0.17 0.28 1.07 0.00 0.00 176.91 179.08 3ddl h VAL 51 N 0.49 1.31 -0.45 -2.22 2.07 -1.26 -1.45 116.25 114.74 3ddl h VAL 51 Ca 0.05 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 3ddl h VAL 51 Cb 0.87 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 3ddl h VAL 51 CO 0.07 0.40 0.09 -1.28 0.02 0.00 0.00 177.57 176.87 3ddl h SER 52 N 0.27 0.63 -0.36 0.57 0.87 -1.11 -0.16 113.55 114.27 3ddl h SER 52 Ca 0.05 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 3ddl h SER 52 Cb 0.70 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 3ddl h SER 52 CO 0.05 0.65 0.17 0.00 -0.53 0.00 0.00 176.83 177.17 3ddl h ALA 53 N 1.44 0.47 -0.49 6.23 0.00 -0.93 -2.47 119.26 123.51 3ddl h ALA 53 Ca 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ddl h ALA 53 Cb 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ddl h ALA 53 CO 0.00 0.03 0.28 1.25 0.00 0.00 0.00 179.25 180.82 3ddl h LEU 54 N 0.45 0.59 -0.32 0.00 5.85 -0.69 -1.24 115.31 119.94 3ddl h LEU 54 Ca 0.12 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.84 3ddl h LEU 54 Cb 0.12 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3ddl h LEU 54 CO -0.02 0.48 -0.09 0.58 -0.34 0.00 0.00 178.44 179.06 3ddl h VAL 55 N 0.65 0.66 0.00 1.05 2.07 -0.78 -1.98 116.25 117.91 3ddl h VAL 55 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3ddl h VAL 55 Cb 0.01 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3ddl h VAL 55 CO -0.03 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.19 3ddl h VAL 56 N -0.01 0.00 -0.02 2.57 -1.51 -1.24 -2.17 116.25 113.88 3ddl h VAL 56 Ca 0.16 -0.74 -0.01 0.00 -1.23 0.00 0.00 66.70 64.87 3ddl h VAL 56 Cb 0.25 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3ddl h VAL 56 CO -0.34 0.00 -0.05 0.15 -1.23 0.00 0.00 177.57 176.11 3ddl h PHE 57 N 0.00 0.08 -0.84 5.19 3.57 -0.95 0.71 116.94 124.69 3ddl h PHE 57 Ca 0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3ddl h PHE 57 Cb 0.81 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 3ddl h PHE 57 CO 0.00 0.67 0.49 0.82 -2.23 0.00 0.00 178.31 178.06 3ddl h ILE 58 N -0.54 1.24 -0.33 1.41 2.04 -1.35 0.70 117.51 120.68 3ddl h ILE 58 Ca -0.00 -0.54 -0.15 0.00 1.00 0.00 0.00 64.86 65.16 3ddl h ILE 58 Cb 0.67 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3ddl h ILE 58 CO 0.01 0.25 -0.40 0.00 0.00 0.00 0.00 178.15 178.01 3ddl h ALA 59 N 1.26 0.66 -0.15 1.87 0.00 -1.42 -0.55 119.26 120.93 3ddl h ALA 59 Ca 0.30 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ddl h ALA 59 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ddl h ALA 59 CO -0.05 0.67 0.09 0.78 0.00 0.00 0.00 179.25 180.74 3ddl h GLY 60 N 0.87 0.23 0.55 0.00 0.00 -0.30 -0.99 103.07 103.44 3ddl h GLY 60 Ca 0.05 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.33 3ddl h GLY 60 CO 0.09 0.10 -0.07 -1.82 0.00 0.00 0.00 176.54 174.84 3ddl h TYR 61 N 0.16 -0.15 -0.39 5.60 3.20 -0.74 -0.89 116.97 123.76 3ddl h TYR 61 Ca 0.06 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3ddl h TYR 61 Cb 0.05 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3ddl h TYR 61 CO -0.05 -0.11 0.00 0.45 -1.64 0.00 0.00 178.16 176.82 3ddl h HIS 62 N -0.02 0.66 0.00 -3.82 3.86 -0.95 -2.08 115.15 112.80 3ddl h HIS 62 Ca 0.10 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 3ddl h HIS 62 Cb 0.18 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3ddl h HIS 62 CO -0.24 0.63 -0.28 1.88 0.86 0.00 0.00 177.93 180.78 3ddl h TYR 63 N 0.60 0.00 -0.51 2.45 -1.99 -0.79 0.13 116.97 116.85 3ddl h TYR 63 Ca 0.12 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.74 3ddl h TYR 63 Cb 0.38 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.09 3ddl h TYR 63 CO 0.02 0.28 -0.12 0.35 -0.00 0.00 0.00 178.16 178.68 3ddl h PHE 64 N 0.00 1.10 -0.51 4.88 3.57 -0.52 0.70 116.94 126.17 3ddl h PHE 64 Ca -0.00 -0.24 -0.13 0.00 3.53 0.00 0.00 57.97 61.13 3ddl h PHE 64 Cb 0.88 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3ddl h PHE 64 CO 0.00 1.04 -0.17 0.00 -2.23 0.00 0.00 178.31 176.95 3ddl h ARG 65 N 0.85 1.02 -0.47 1.11 2.47 -0.81 -2.15 114.38 116.39 3ddl h ARG 65 Ca 0.13 -0.41 -0.07 0.00 -1.26 0.00 0.00 59.98 58.37 3ddl h ARG 65 Cb 0.69 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 3ddl h ARG 65 CO 0.05 1.09 0.04 0.82 0.56 0.00 0.00 179.97 182.53 3ddl h ILE 66 N 0.89 1.26 -0.23 2.04 2.04 -0.52 -1.63 117.51 121.35 3ddl h ILE 66 Ca 0.12 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 3ddl h ILE 66 Cb 0.75 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3ddl h ILE 66 CO 0.06 0.35 0.13 0.74 0.00 0.00 0.00 178.15 179.43 3ddl h THR 67 N 0.67 1.10 -0.66 -0.27 2.02 -0.79 -1.39 112.91 113.60 3ddl h THR 67 Ca 0.14 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3ddl h THR 67 Cb 0.45 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 3ddl h THR 67 CO 0.02 0.10 0.32 0.28 0.37 0.00 0.00 175.52 176.61 3ddl h SER 68 N 0.27 0.86 -0.59 4.18 0.02 -1.32 -1.76 113.55 115.22 3ddl h SER 68 Ca 0.08 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3ddl h SER 68 Cb 0.05 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 3ddl h SER 68 CO -0.01 0.75 0.24 -1.28 -1.14 0.00 0.00 176.83 175.39 3ddl h SER 69 N 0.91 0.83 -0.16 3.07 0.87 -1.08 0.95 113.55 118.94 3ddl h SER 69 Ca 0.23 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3ddl h SER 69 Cb 0.11 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3ddl h SER 69 CO -0.03 0.75 0.02 -0.25 -0.53 0.00 0.00 176.83 176.78 3ddl h TRP 70 N 0.89 0.29 -0.13 2.24 2.91 -0.90 -2.21 115.95 119.05 3ddl h TRP 70 Ca 0.21 -0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.19 3ddl h TRP 70 Cb 0.18 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 3ddl h TRP 70 CO 0.01 0.46 0.08 1.49 -1.03 0.00 0.00 178.44 179.45 3ddl h GLU 71 N 0.04 0.18 0.00 2.65 4.81 -0.98 -2.70 114.58 118.58 3ddl h GLU 71 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3ddl h GLU 71 Cb 0.33 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3ddl h GLU 71 CO 0.00 0.16 -0.04 0.00 -0.73 0.00 0.00 179.01 178.40 3ddl h ALA 72 N 1.01 1.19 -0.00 2.92 0.00 -0.76 -2.55 119.26 121.06 3ddl h ALA 72 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ddl h ALA 72 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ddl h ALA 72 CO -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 179.25 179.26 3ddl n ALA 73 N -2.19 2.54 -2.23 0.00 0.00 -0.84 -4.62 120.51 113.17 3ddl n ALA 73 Ca -0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 3ddl n ALA 73 Cb 0.17 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.07 3ddl n ALA 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ddl s TYR 74 N -2.65 0.70 -0.03 0.00 2.02 -0.96 -1.12 117.35 115.30 3ddl s TYR 74 Ca 0.25 -0.93 -0.04 0.00 -0.37 0.00 0.00 57.07 55.99 3ddl s TYR 74 Cb 0.20 -0.44 0.01 0.00 -0.40 0.00 0.00 41.96 41.32 3ddl s TYR 74 CO 0.48 -0.24 0.10 0.00 -1.57 0.00 0.00 175.55 174.33 3ddl s ALA 75 N -3.47 -0.25 -0.35 3.71 0.00 -0.93 -4.84 121.76 115.64 3ddl s ALA 75 Ca 0.07 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 3ddl s ALA 75 Cb 0.04 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.05 3ddl s ALA 75 CO -0.06 -0.08 1.25 -1.17 0.00 0.00 0.00 175.76 175.70 3ddl s LEU 76 N -0.21 3.81 -0.25 0.00 2.96 -1.26 -1.47 118.68 122.27 3ddl s LEU 76 Ca -0.03 1.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.86 3ddl s LEU 76 Cb -0.02 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.21 3ddl s LEU 76 CO 0.00 -1.12 0.09 -1.10 -1.32 0.00 0.00 176.35 172.91 3ddl s GLN 77 N 4.22 0.39 -0.78 1.98 -0.21 0.25 -4.86 119.66 120.64 3ddl s GLN 77 Ca 0.54 -0.54 -0.01 0.00 0.02 0.00 0.00 55.36 55.36 3ddl s GLN 77 Cb -0.14 -1.69 0.00 0.00 1.00 0.00 0.00 33.01 32.18 3ddl s GLN 77 CO 0.24 -0.86 0.65 -1.71 -2.12 0.00 0.00 175.29 171.49 3ddl n ASN 78 N 5.12 -2.39 -1.06 5.90 2.85 -1.26 -3.08 115.26 121.33 3ddl n ASN 78 Ca -0.06 -0.39 -0.14 0.00 -0.11 0.00 0.00 54.58 53.88 3ddl n ASN 78 Cb 0.44 -3.44 -0.06 0.00 1.24 0.00 0.00 39.78 37.96 3ddl n ASN 78 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ddl n GLY 79 N -1.13 1.44 3.08 8.20 0.00 -1.26 -4.98 105.19 110.54 3ddl n GLY 79 Ca -0.16 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3ddl n GLY 79 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ddl s MET 80 N -3.16 0.54 -0.43 1.61 -1.94 -1.18 -4.45 119.30 110.30 3ddl s MET 80 Ca 0.00 -0.82 -0.15 0.00 -1.71 0.00 0.00 55.69 53.00 3ddl s MET 80 Cb 0.00 0.20 0.03 0.00 2.01 0.00 0.00 34.83 37.07 3ddl s MET 80 CO 0.00 -0.12 0.33 0.71 -0.01 0.00 0.00 175.02 175.93 3ddl s TYR 81 N -2.66 3.23 0.00 -0.03 1.51 0.59 0.85 117.35 120.85 3ddl s TYR 81 Ca -0.05 -0.64 -0.08 0.00 -1.01 0.00 0.00 57.07 55.29 3ddl s TYR 81 Cb -0.01 -2.75 -0.05 0.00 -0.11 0.00 0.00 41.96 39.04 3ddl s TYR 81 CO -0.05 -0.65 0.29 -0.65 -1.11 0.00 0.00 175.55 173.39 3ddl s GLN 82 N 1.72 3.64 0.36 -0.62 -1.52 -0.54 -0.95 119.66 121.74 3ddl s GLN 82 Ca 0.05 0.03 -0.28 0.00 -1.95 0.00 0.00 55.36 53.22 3ddl s GLN 82 Cb -0.20 -3.10 -0.12 0.00 -0.22 0.00 0.00 33.01 29.37 3ddl s GLN 82 CO 0.10 0.66 1.34 -2.30 -0.25 0.00 0.00 175.29 174.83 3ddl n PRO 83 N 1.30 2.25 0.07 2.91 -0.02 -1.26 -2.19 135.00 138.06 3ddl n PRO 83 Ca -0.12 0.79 0.10 0.00 -2.02 0.00 0.00 63.50 62.25 3ddl n PRO 83 Cb 0.53 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 3ddl n PRO 83 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ddl n THR 84 N 0.30 0.54 0.00 3.45 -2.24 -0.27 -4.85 114.28 111.21 3ddl n THR 84 Ca 0.04 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3ddl n THR 84 Cb 0.37 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3ddl n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddl n GLY 85 N 1.22 1.15 3.72 3.38 0.00 -1.26 -5.05 105.19 108.35 3ddl n GLY 85 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3ddl n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ddl s GLU 86 N -0.01 4.40 0.64 1.61 0.41 -1.26 -5.00 118.70 119.49 3ddl s GLU 86 Ca 0.00 1.94 -0.14 0.00 -0.41 0.00 0.00 54.97 56.36 3ddl s GLU 86 Cb 0.00 -3.27 -0.01 0.00 -1.78 0.00 0.00 34.13 29.07 3ddl s GLU 86 CO 0.00 -0.28 1.07 -0.51 -0.49 0.00 0.00 175.26 175.05 3ddl s LEU 87 N 0.64 3.37 -0.40 1.80 1.02 -1.26 -4.47 118.68 119.37 3ddl s LEU 87 Ca 0.59 1.82 -0.14 0.00 0.02 0.00 0.00 54.13 56.42 3ddl s LEU 87 Cb -0.34 -4.53 0.02 0.00 0.02 0.00 0.00 46.19 41.37 3ddl s LEU 87 CO 0.32 -1.38 0.28 0.12 0.02 0.00 0.00 176.35 175.72 3ddl s PHE 88 N -2.58 3.24 -0.29 0.29 5.36 -1.26 -4.78 117.98 117.95 3ddl s PHE 88 Ca 0.63 -0.65 -0.29 0.00 -0.96 0.00 0.00 56.93 55.66 3ddl s PHE 88 Cb -0.17 -2.56 -0.02 0.00 -0.34 0.00 0.00 43.02 39.93 3ddl s PHE 88 CO 0.43 -0.60 1.72 1.21 -1.46 0.00 0.00 175.22 176.52 3ddl s ASN 89 N 1.66 6.08 0.00 6.13 3.84 -1.26 -4.83 114.94 126.55 3ddl s ASN 89 Ca 0.04 1.40 0.25 0.00 0.21 0.00 0.00 52.86 54.76 3ddl s ASN 89 Cb -0.19 -2.53 0.41 0.00 -0.55 0.00 0.00 41.25 38.39 3ddl s ASN 89 CO 0.09 -1.54 1.35 -0.67 -2.79 0.00 0.00 177.10 173.54 3ddl n ASP 90 N 9.57 1.41 0.13 -4.21 2.03 -1.26 -4.13 116.55 120.08 3ddl n ASP 90 Ca 0.21 -1.13 -0.01 0.00 0.52 0.00 0.00 54.79 54.38 3ddl n ASP 90 Cb 0.46 0.31 0.13 0.00 -0.72 0.00 0.00 41.12 41.29 3ddl n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ddl h ALA 91 N 3.72 0.83 -0.75 -1.67 0.00 -2.01 -3.29 119.26 116.09 3ddl h ALA 91 Ca 0.00 -0.60 0.09 0.00 0.00 0.00 0.00 54.91 54.41 3ddl h ALA 91 Cb 0.61 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 3ddl h ALA 91 CO 0.00 0.82 0.40 1.88 0.00 0.00 0.00 179.25 182.34 3ddl h TYR 92 N 0.00 0.71 -0.55 0.00 0.05 -1.95 -0.80 116.97 114.43 3ddl h TYR 92 Ca -0.01 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.70 3ddl h TYR 92 Cb 1.22 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.74 3ddl h TYR 92 CO 0.00 0.27 -0.07 -0.09 -1.05 0.00 0.00 178.16 177.21 3ddl h ARG 93 N 0.67 1.01 -0.66 4.88 2.43 -1.86 -1.13 114.38 119.72 3ddl h ARG 93 Ca 0.37 -0.35 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3ddl h ARG 93 Cb 0.37 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3ddl h ARG 93 CO -0.26 1.03 0.10 -0.92 -1.51 0.00 0.00 179.97 178.40 3ddl h TYR 94 N 0.90 1.18 -0.02 2.20 3.20 -1.45 -0.90 116.97 122.09 3ddl h TYR 94 Ca 0.15 -0.17 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 3ddl h TYR 94 Cb 0.63 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3ddl h TYR 94 CO 0.04 0.99 -0.54 0.28 -1.64 0.00 0.00 178.16 177.29 3ddl h VAL 95 N 1.03 1.39 -0.68 1.81 2.07 -1.04 -2.55 116.25 118.27 3ddl h VAL 95 Ca 0.20 -1.86 -0.08 0.00 0.82 0.00 0.00 66.70 65.78 3ddl h VAL 95 Cb 0.46 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 3ddl h VAL 95 CO 0.01 0.54 0.12 -0.78 0.02 0.00 0.00 177.57 177.48 3ddl h ASP 96 N 0.03 1.08 -0.14 0.57 3.58 -0.77 -2.72 116.42 118.06 3ddl h ASP 96 Ca -0.00 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 3ddl h ASP 96 Cb 0.97 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 3ddl h ASP 96 CO 0.07 1.06 0.08 -0.50 -2.88 0.00 0.00 179.24 177.08 3ddl h TRP 97 N 1.06 0.18 -0.95 0.28 6.55 -0.85 -0.59 115.95 121.63 3ddl h TRP 97 Ca 0.21 -0.00 0.08 0.00 0.95 0.00 0.00 58.89 60.13 3ddl h TRP 97 Cb 0.43 -0.06 -0.07 0.00 -0.86 0.00 0.00 29.16 28.61 3ddl h TRP 97 CO 0.03 0.16 0.61 1.25 -1.05 0.00 0.00 178.44 179.45 3ddl h LEU 98 N 0.15 0.93 0.13 -4.49 5.85 -1.34 -0.69 115.31 115.85 3ddl h LEU 98 Ca 0.05 0.02 -0.28 0.00 0.84 0.00 0.00 57.88 58.50 3ddl h LEU 98 Cb 0.03 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3ddl h LEU 98 CO -0.01 0.58 -1.32 -0.07 -0.34 0.00 0.00 178.44 177.28 3ddl h LEU 99 N 1.05 0.42 0.10 2.25 3.38 -1.31 -3.41 115.31 117.78 3ddl h LEU 99 Ca 0.42 -0.48 -0.35 0.00 0.09 0.00 0.00 57.88 57.57 3ddl h LEU 99 Cb 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3ddl h LEU 99 CO -0.18 1.38 -1.91 0.71 0.09 0.00 0.00 178.44 178.53 3ddl h THR 100 N 0.07 0.70 -0.84 0.22 1.35 -0.76 -3.38 112.91 110.27 3ddl h THR 100 Ca -0.16 -2.44 0.11 0.00 -0.55 0.00 0.00 66.41 63.37 3ddl h THR 100 Cb 1.99 2.51 -0.06 0.00 -1.73 0.00 0.00 68.15 70.85 3ddl h THR 100 CO 0.19 0.81 0.55 0.58 -0.25 0.00 0.00 175.52 177.40 3ddl h VAL 101 N 0.06 0.91 -0.52 6.82 2.07 -1.35 -0.39 116.25 123.86 3ddl h VAL 101 Ca -0.38 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 3ddl h VAL 101 Cb 2.03 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3ddl h VAL 101 CO 0.09 0.13 0.03 -0.65 0.02 0.00 0.00 177.57 177.20 3ddl h PRO 102 N 0.74 0.89 -0.42 1.57 0.11 -1.78 -2.88 132.00 130.22 3ddl h PRO 102 Ca 0.40 -0.27 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 3ddl h PRO 102 Cb 0.53 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 3ddl h PRO 102 CO -0.17 0.90 0.11 -0.07 -0.21 0.00 0.00 178.00 178.56 3ddl h LEU 103 N 0.76 0.58 -1.15 2.35 3.38 -1.37 -1.73 115.31 118.12 3ddl h LEU 103 Ca 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ddl h LEU 103 Cb 0.48 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3ddl h LEU 103 CO 0.02 0.57 0.41 -0.07 0.09 0.00 0.00 178.44 179.47 3ddl h LEU 104 N 0.61 0.89 -0.29 1.67 3.38 -0.92 -0.85 115.31 119.81 3ddl h LEU 104 Ca 0.14 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 3ddl h LEU 104 Cb 0.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ddl h LEU 104 CO -0.00 0.71 -0.56 0.71 0.09 0.00 0.00 178.44 179.38 3ddl h THR 105 N 1.01 1.27 -0.36 0.22 1.35 -1.19 -3.13 112.91 112.08 3ddl h THR 105 Ca 0.26 -1.74 0.02 0.00 -0.55 0.00 0.00 66.41 64.40 3ddl h THR 105 Cb 0.00 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.04 3ddl h THR 105 CO -0.04 0.57 0.20 0.58 -0.25 0.00 0.00 175.52 176.58 3ddl h VAL 106 N 0.67 1.02 -0.08 6.82 2.07 -0.84 -1.68 116.25 124.24 3ddl h VAL 106 Ca 0.01 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3ddl h VAL 106 Cb 1.17 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3ddl h VAL 106 CO 0.13 0.08 -0.19 1.05 0.02 0.00 0.00 177.57 178.65 3ddl h GLU 107 N 0.41 0.12 -0.15 1.57 4.11 -1.19 -1.68 114.58 117.78 3ddl h GLU 107 Ca 0.15 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.49 3ddl h GLU 107 Cb 0.02 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ddl h GLU 107 CO -0.08 0.32 -0.13 1.25 0.07 0.00 0.00 179.01 180.44 3ddl h LEU 108 N 0.12 0.37 -0.53 3.06 5.85 -1.40 -3.13 115.31 119.65 3ddl h LEU 108 Ca 0.02 -0.47 0.09 0.00 0.84 0.00 0.00 57.88 58.36 3ddl h LEU 108 Cb 0.41 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 3ddl h LEU 108 CO 0.03 0.76 0.14 0.58 -0.34 0.00 0.00 178.44 179.60 3ddl h VAL 109 N -0.02 0.74 0.00 1.05 2.07 -0.78 -1.62 116.25 117.70 3ddl h VAL 109 Ca 0.03 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3ddl h VAL 109 Cb 0.65 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3ddl h VAL 109 CO 0.03 0.05 -0.00 -0.07 0.02 0.00 0.00 177.57 177.60 3ddl h LEU 110 N 0.29 0.00 -2.40 2.57 3.38 -1.29 -1.37 115.31 116.50 3ddl h LEU 110 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3ddl h LEU 110 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ddl h LEU 110 CO -0.32 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.55 3ddl n VAL 111 N -3.37 0.64 0.40 1.22 0.24 -0.66 -4.62 118.33 112.18 3ddl n VAL 111 Ca -0.03 -0.82 0.12 0.00 -2.04 0.00 0.00 64.34 61.57 3ddl n VAL 111 Cb 0.08 0.80 0.49 0.00 -1.47 0.00 0.00 33.84 33.74 3ddl n VAL 111 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3ddl n MET 112 N 0.91 0.20 -0.95 7.34 2.81 -0.51 -4.90 117.12 122.02 3ddl n MET 112 Ca 0.14 0.42 0.00 0.00 -1.81 0.00 0.00 57.70 56.45 3ddl n MET 112 Cb 0.46 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 3ddl n MET 112 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ddl n GLY 113 N 0.00 0.48 3.80 3.03 0.00 -1.26 -4.81 105.19 106.44 3ddl n GLY 113 Ca 0.02 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 3ddl n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddl s LEU 114 N 0.00 3.39 0.38 0.99 1.43 -1.26 -5.00 118.68 118.61 3ddl s LEU 114 Ca 0.00 1.77 -0.27 0.00 -1.03 0.00 0.00 54.13 54.60 3ddl s LEU 114 Cb 0.00 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.60 3ddl s LEU 114 CO 0.00 -1.27 1.31 -2.84 0.23 0.00 0.00 176.35 173.78 3ddl s PRO 115 N -4.34 4.08 0.33 1.29 0.02 -1.26 -4.73 135.00 130.39 3ddl s PRO 115 Ca 0.62 2.19 0.12 0.00 0.02 0.00 0.00 61.00 63.95 3ddl s PRO 115 Cb -0.16 -2.85 1.02 0.00 0.02 0.00 0.00 34.50 32.53 3ddl s PRO 115 CO 0.42 -0.41 1.67 0.87 -0.33 0.00 0.00 177.00 179.21 3ddl h LYS 116 N 2.88 0.32 0.00 5.54 1.57 -2.00 0.61 116.57 125.48 3ddl h LYS 116 Ca -0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3ddl h LYS 116 Cb 1.24 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3ddl h LYS 116 CO 0.63 0.21 0.00 0.27 -0.57 0.00 0.00 179.45 179.99 3ddl n ASN 117 N -5.07 0.01 -0.01 0.86 0.23 -1.26 -2.69 115.26 107.34 3ddl n ASN 117 Ca 0.30 0.50 0.03 0.00 -0.53 0.00 0.00 54.58 54.88 3ddl n ASN 117 Cb 0.92 -0.51 -0.06 0.00 -2.08 0.00 0.00 39.78 38.06 3ddl n ASN 117 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ddl n GLU 118 N -1.52 0.51 0.07 -3.83 1.02 0.21 -4.66 120.64 112.44 3ddl n GLU 118 Ca 0.02 -0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 3ddl n GLU 118 Cb 0.10 -1.18 -0.07 0.00 -0.02 0.00 0.00 31.44 30.27 3ddl n GLU 118 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ddl h ARG 119 N 0.00 -0.10 -0.02 3.49 3.08 -1.15 -2.61 114.38 117.07 3ddl h ARG 119 Ca -0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3ddl h ARG 119 Cb 0.45 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3ddl h ARG 119 CO 0.00 -0.02 -0.01 0.78 -1.07 0.00 0.00 179.97 179.65 3ddl h GLY 120 N -0.15 0.00 1.00 0.04 0.00 -1.85 -0.89 103.07 101.21 3ddl h GLY 120 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.35 3ddl h GLY 120 CO 0.02 -0.02 0.59 -2.55 0.00 0.00 0.00 176.54 174.58 3ddl h PRO 121 N -0.02 1.16 -0.35 4.80 0.11 -1.82 -2.10 132.00 133.79 3ddl h PRO 121 Ca 0.01 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.89 3ddl h PRO 121 Cb 0.03 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 30.87 3ddl h PRO 121 CO -0.03 0.77 -0.43 1.25 -0.21 0.00 0.00 178.00 179.35 3ddl h LEU 122 N 1.20 0.96 -0.71 2.35 5.85 -1.33 -1.33 115.31 122.31 3ddl h LEU 122 Ca 0.33 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 3ddl h LEU 122 Cb -0.13 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.60 3ddl h LEU 122 CO -0.07 1.25 0.33 0.00 -0.34 0.00 0.00 178.44 179.60 3ddl h ALA 123 N 0.78 0.91 -0.41 1.25 0.00 -1.00 -1.38 119.26 119.42 3ddl h ALA 123 Ca 0.05 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3ddl h ALA 123 Cb 1.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3ddl h ALA 123 CO 0.10 0.49 -0.18 0.00 0.00 0.00 0.00 179.25 179.66 3ddl h ALA 124 N 1.16 0.57 -0.02 0.00 0.00 -1.29 -0.18 119.26 119.49 3ddl h ALA 124 Ca 0.24 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ddl h ALA 124 Cb 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ddl h ALA 124 CO -0.03 0.51 0.00 -0.22 0.00 0.00 0.00 179.25 179.52 3ddl h LYS 125 N 0.65 0.03 -0.58 0.00 3.64 -1.04 -2.24 116.57 117.04 3ddl h LYS 125 Ca 0.09 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 3ddl h LYS 125 Cb 0.74 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 3ddl h LYS 125 CO 0.06 0.28 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.38 3ddl h LEU 126 N -0.22 1.06 -0.33 5.20 3.38 -1.27 -2.25 115.31 120.88 3ddl h LEU 126 Ca 0.01 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3ddl h LEU 126 Cb 0.26 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ddl h LEU 126 CO 0.00 1.14 0.18 1.23 0.09 0.00 0.00 178.44 181.07 3ddl h GLY 127 N 0.96 0.49 2.00 0.83 0.00 -1.04 -0.59 103.07 105.71 3ddl h GLY 127 Ca 0.16 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 3ddl h GLY 127 CO 0.04 0.21 -0.36 0.74 0.00 0.00 0.00 176.54 177.18 3ddl h PHE 128 N 0.40 0.00 -0.25 5.60 -1.00 -1.38 -1.66 116.94 118.64 3ddl h PHE 128 Ca 0.11 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.70 3ddl h PHE 128 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 3ddl h PHE 128 CO -0.03 0.36 -0.61 -0.07 -1.61 0.00 0.00 178.31 176.35 3ddl h LEU 129 N 0.00 0.98 -0.33 1.54 3.38 -1.21 -1.08 115.31 118.58 3ddl h LEU 129 Ca -0.00 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 3ddl h LEU 129 Cb 0.89 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3ddl h LEU 129 CO 0.05 1.36 0.10 0.00 0.09 0.00 0.00 178.44 180.03 3ddl h ALA 130 N 0.65 0.43 -0.51 1.53 0.00 -0.91 -0.93 119.26 119.51 3ddl h ALA 130 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ddl h ALA 130 Cb 1.23 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3ddl h ALA 130 CO 0.13 0.08 0.27 0.00 0.00 0.00 0.00 179.25 179.73 3ddl h ALA 131 N 0.94 0.66 -0.52 0.00 0.00 -1.25 -2.18 119.26 116.90 3ddl h ALA 131 Ca 0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3ddl h ALA 131 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ddl h ALA 131 CO -0.00 0.20 0.21 1.25 0.00 0.00 0.00 179.25 180.91 3ddl h LEU 132 N 0.68 0.67 -0.59 0.00 5.85 -1.02 -0.80 115.31 120.10 3ddl h LEU 132 Ca 0.18 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3ddl h LEU 132 Cb 0.08 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3ddl h LEU 132 CO -0.03 0.60 0.33 -0.03 -0.34 0.00 0.00 178.44 178.98 3ddl h MET 133 N 0.74 0.63 -0.28 1.25 4.05 -0.57 0.54 114.93 121.28 3ddl h MET 133 Ca 0.18 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.41 3ddl h MET 133 Cb 0.14 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.79 3ddl h MET 133 CO -0.02 0.41 -0.42 0.82 0.23 0.00 0.00 176.91 177.94 3ddl h ILE 134 N 0.65 1.29 -0.46 1.77 1.08 -0.85 -2.64 117.51 118.35 3ddl h ILE 134 Ca 0.25 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 3ddl h ILE 134 Cb 0.10 1.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 3ddl h ILE 134 CO -0.14 0.52 0.31 0.58 -0.69 0.00 0.00 178.15 178.73 3ddl h VAL 135 N 0.53 1.12 -0.11 1.67 2.07 -0.73 -2.58 116.25 118.22 3ddl h VAL 135 Ca 0.03 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 3ddl h VAL 135 Cb 1.02 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3ddl h VAL 135 CO 0.10 0.11 -0.18 -0.07 0.02 0.00 0.00 177.57 177.55 3ddl h LEU 136 N 0.63 0.17 -1.04 2.57 3.38 -0.87 -2.44 115.31 117.70 3ddl h LEU 136 Ca 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3ddl h LEU 136 Cb -0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3ddl h LEU 136 CO -0.04 0.37 -0.08 1.23 0.09 0.00 0.00 178.44 180.02 3ddl h GLY 137 N 0.79 0.00 -0.07 0.83 0.00 -1.09 -3.36 103.07 100.17 3ddl h GLY 137 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.40 3ddl h GLY 137 CO 0.03 0.00 -0.49 -1.82 0.00 0.00 0.00 176.54 174.26 3ddl h TYR 138 N 0.00 -1.44 -0.79 5.60 3.20 -1.15 0.04 116.97 122.42 3ddl h TYR 138 Ca -0.00 0.06 0.08 0.00 3.14 0.00 0.00 58.73 62.01 3ddl h TYR 138 Cb 0.70 0.65 -0.05 0.00 1.54 0.00 0.00 36.73 39.56 3ddl h TYR 138 CO 0.00 -0.52 0.52 -1.35 -1.64 0.00 0.00 178.16 175.17 3ddl h PRO 139 N -0.55 0.76 -0.38 1.82 0.11 -1.76 -2.15 132.00 129.86 3ddl h PRO 139 Ca 0.05 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 3ddl h PRO 139 Cb 0.66 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3ddl h PRO 139 CO -0.42 0.50 -0.04 0.78 -0.21 0.00 0.00 178.00 178.61 3ddl h GLY 140 N 0.78 0.75 1.17 -0.55 0.00 -1.50 -2.66 103.07 101.07 3ddl h GLY 140 Ca 0.36 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3ddl h GLY 140 CO -0.13 0.54 0.20 -2.09 0.00 0.00 0.00 176.54 175.06 3ddl h GLU 141 N 0.50 1.04 -0.32 4.80 4.57 -0.38 -2.72 114.58 122.07 3ddl h GLU 141 Ca 0.10 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3ddl h GLU 141 Cb 0.53 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3ddl h GLU 141 CO 0.03 0.89 0.00 1.33 -1.18 0.00 0.00 179.01 180.08 3ddl n VAL 142 N -4.26 0.41 -1.97 0.32 0.24 -1.00 -4.94 118.33 107.13 3ddl n VAL 142 Ca 0.05 -0.52 -0.40 0.00 -2.04 0.00 0.00 64.34 61.44 3ddl n VAL 142 Cb 0.22 0.46 -0.00 0.00 -1.47 0.00 0.00 33.84 33.05 3ddl n VAL 142 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ddl s SER 143 N -1.34 6.32 -0.03 -1.34 0.15 -1.00 -4.94 113.70 111.52 3ddl s SER 143 Ca 0.33 2.78 -0.22 0.00 0.70 0.00 0.00 55.95 59.54 3ddl s SER 143 Cb 0.18 -2.65 -0.24 0.00 -1.71 0.00 0.00 66.02 61.60 3ddl s SER 143 CO 0.25 -0.86 1.04 -0.33 1.20 0.00 0.00 173.24 174.54 3ddl h GLU 144 N 2.80 0.29 -6.25 5.44 4.39 -1.90 -3.43 114.58 115.92 3ddl h GLU 144 Ca -0.50 -0.33 -0.57 0.00 0.34 0.00 0.00 59.36 58.30 3ddl h GLU 144 Cb 1.24 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.94 3ddl h GLU 144 CO 0.63 1.04 0.90 1.21 -1.16 0.00 0.00 179.01 181.63 3ddl s ASN 145 N -6.58 6.87 -0.27 1.42 2.47 -1.26 -4.94 114.94 112.65 3ddl s ASN 145 Ca -0.14 1.33 0.07 0.00 0.42 0.00 0.00 52.86 54.53 3ddl s ASN 145 Cb 0.02 -2.54 0.58 0.00 -1.45 0.00 0.00 41.25 37.86 3ddl s ASN 145 CO 0.79 -0.89 1.60 0.00 -3.72 0.00 0.00 177.10 174.88 3ddl n ALA 146 N 6.99 4.28 -1.88 1.71 0.00 -1.26 -3.63 120.51 126.71 3ddl n ALA 146 Ca 0.13 -1.88 -0.40 0.00 0.00 0.00 0.00 53.44 51.30 3ddl n ALA 146 Cb 0.46 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 3ddl n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ddl s ALA 147 N -2.47 3.40 0.10 0.00 0.00 -1.26 -4.00 121.76 117.53 3ddl s ALA 147 Ca 0.43 0.47 -0.18 0.00 0.00 0.00 0.00 51.96 52.68 3ddl s ALA 147 Cb 0.35 -3.06 -0.07 0.00 0.00 0.00 0.00 23.12 20.34 3ddl s ALA 147 CO 0.10 0.26 1.57 1.25 0.00 0.00 0.00 175.76 178.94 3ddl h LEU 148 N 4.25 0.43 -6.56 0.00 7.12 -1.87 -2.40 115.31 116.28 3ddl h LEU 148 Ca -0.46 -0.26 -0.77 0.00 0.13 0.00 0.00 57.88 56.53 3ddl h LEU 148 Cb 1.20 -0.11 -0.18 0.00 -0.53 0.00 0.00 40.66 41.04 3ddl h LEU 148 CO 0.67 0.57 1.78 0.49 -0.13 0.00 0.00 178.44 181.82 3ddl n PHE 149 N -4.67 2.87 -2.83 1.25 0.99 -1.26 -3.36 117.46 110.45 3ddl n PHE 149 Ca -0.03 -2.77 0.00 0.00 -0.00 0.00 0.00 57.45 54.65 3ddl n PHE 149 Cb 0.20 -1.83 0.00 0.00 -1.00 0.00 0.00 39.48 36.86 3ddl n PHE 149 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ddl n GLY 150 N 2.56 0.84 0.29 1.37 0.00 -1.17 -5.00 105.19 104.08 3ddl n GLY 150 Ca 0.37 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 3ddl n GLY 150 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ddl h THR 151 N 0.00 0.33 -0.44 2.61 2.02 -1.83 0.17 112.91 115.77 3ddl h THR 151 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3ddl h THR 151 Cb 0.00 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3ddl h THR 151 CO 0.00 0.00 0.20 -0.09 0.37 0.00 0.00 175.52 176.00 3ddl h ARG 152 N -0.19 0.64 -0.24 6.66 2.43 -1.64 -2.69 114.38 119.35 3ddl h ARG 152 Ca 0.18 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 3ddl h ARG 152 Cb 0.48 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3ddl h ARG 152 CO -0.50 0.57 -0.26 0.78 -1.51 0.00 0.00 179.97 179.05 3ddl h GLY 153 N 0.57 0.51 0.75 2.80 0.00 -0.97 -2.01 103.07 104.72 3ddl h GLY 153 Ca 0.15 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3ddl h GLY 153 CO -0.02 0.38 -0.24 -2.00 0.00 0.00 0.00 176.54 174.66 3ddl h LEU 154 N 0.41 -0.57 -1.80 3.11 5.85 -0.53 -1.25 115.31 120.52 3ddl h LEU 154 Ca 0.06 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3ddl h LEU 154 Cb 0.67 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 3ddl h LEU 154 CO 0.05 -0.23 -0.15 -0.50 -0.34 0.00 0.00 178.44 177.27 3ddl h TRP 155 N -0.93 0.00 -0.33 1.25 4.06 -1.54 0.76 115.95 119.23 3ddl h TRP 155 Ca -0.07 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.74 3ddl h TRP 155 Cb 0.60 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.76 3ddl h TRP 155 CO 0.00 0.15 -0.36 0.78 -3.56 0.00 0.00 178.44 175.46 3ddl h GLY 156 N 0.69 0.89 0.85 1.49 0.00 -1.31 0.04 103.07 105.72 3ddl h GLY 156 Ca -0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 47.33 46.36 3ddl h GLY 156 CO 0.02 0.84 -0.01 -2.75 0.00 0.00 0.00 176.54 174.63 3ddl h PHE 157 N 0.60 0.49 -0.59 5.60 3.57 -0.44 -2.07 116.94 124.09 3ddl h PHE 157 Ca 0.05 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3ddl h PHE 157 Cb 0.94 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 3ddl h PHE 157 CO 0.07 0.62 0.37 -0.07 -2.23 0.00 0.00 178.31 177.08 3ddl h LEU 158 N 0.21 0.69 -1.34 0.59 3.38 -0.78 -2.46 115.31 115.60 3ddl h LEU 158 Ca 0.07 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3ddl h LEU 158 Cb 0.44 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3ddl h LEU 158 CO 0.02 0.52 0.09 -1.28 0.09 0.00 0.00 178.44 177.88 3ddl h SER 159 N 0.80 0.49 0.08 -0.43 0.87 -0.94 -2.40 113.55 112.02 3ddl h SER 159 Ca 0.21 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 3ddl h SER 159 Cb -0.06 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 3ddl h SER 159 CO -0.04 0.49 -0.08 0.74 -0.53 0.00 0.00 176.83 177.41 3ddl h THR 160 N 0.52 1.01 0.32 2.23 2.02 -0.89 -3.15 112.91 114.98 3ddl h THR 160 Ca 0.12 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3ddl h THR 160 Cb 0.20 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3ddl h THR 160 CO -0.00 0.08 -0.42 0.40 0.37 0.00 0.00 175.52 175.94 3ddl h ILE 161 N 0.00 0.15 0.00 3.11 2.04 -1.32 0.12 117.51 121.61 3ddl h ILE 161 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3ddl h ILE 161 Cb 0.14 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3ddl h ILE 161 CO 0.01 0.00 -0.25 1.55 0.00 0.00 0.00 178.15 179.46 3ddl h PRO 162 N -0.79 0.00 -0.13 2.37 0.13 -1.72 -2.13 132.00 129.73 3ddl h PRO 162 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 3ddl h PRO 162 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3ddl h PRO 162 CO -0.12 0.25 0.05 0.35 -0.23 0.00 0.00 178.00 178.30 3ddl h PHE 163 N 0.00 0.20 0.00 1.56 3.57 -1.38 0.43 116.94 121.32 3ddl h PHE 163 Ca -0.00 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 3ddl h PHE 163 Cb 0.45 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3ddl h PHE 163 CO 0.00 0.29 -0.22 -0.39 -2.23 0.00 0.00 178.31 175.76 3ddl h VAL 164 N 0.05 1.08 -0.50 1.41 -1.51 -0.45 -0.90 116.25 115.42 3ddl h VAL 164 Ca 0.04 -0.76 -0.06 0.00 -1.23 0.00 0.00 66.70 64.70 3ddl h VAL 164 Cb 0.18 1.42 -0.02 0.00 -2.13 0.00 0.00 31.29 30.73 3ddl h VAL 164 CO -0.00 0.21 0.08 -0.50 -1.23 0.00 0.00 177.57 176.13 3ddl h TRP 165 N 0.00 0.88 -0.16 5.19 4.06 -0.85 0.18 115.95 125.25 3ddl h TRP 165 Ca -0.00 -0.12 -0.00 0.00 2.06 0.00 0.00 58.89 60.83 3ddl h TRP 165 Cb 0.40 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 3ddl h TRP 165 CO 0.00 0.80 0.10 0.82 -3.56 0.00 0.00 178.44 176.60 3ddl h ILE 166 N 0.70 1.07 -0.77 1.49 2.04 0.37 -1.39 117.51 121.02 3ddl h ILE 166 Ca 0.15 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3ddl h ILE 166 Cb 0.39 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3ddl h ILE 166 CO 0.01 0.06 0.43 -0.07 0.00 0.00 0.00 178.15 178.58 3ddl h LEU 167 N 0.19 0.95 0.09 1.44 3.38 -1.01 -1.50 115.31 118.87 3ddl h LEU 167 Ca 0.06 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ddl h LEU 167 Cb 0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3ddl h LEU 167 CO -0.01 0.77 -0.27 0.22 0.09 0.00 0.00 178.44 179.24 3ddl h TYR 168 N 1.06 -0.72 -0.50 1.13 3.20 -0.33 0.15 116.97 120.96 3ddl h TYR 168 Ca 0.27 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.21 3ddl h TYR 168 Cb 0.03 0.30 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 3ddl h TYR 168 CO -0.00 -0.37 0.24 0.82 -1.64 0.00 0.00 178.16 177.21 3ddl h ILE 169 N -0.46 0.93 -0.36 1.81 2.04 -0.89 0.17 117.51 120.75 3ddl h ILE 169 Ca 0.04 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 3ddl h ILE 169 Cb 0.50 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3ddl h ILE 169 CO -0.17 0.09 -0.23 -0.07 0.00 0.00 0.00 178.15 177.76 3ddl h LEU 170 N 0.47 0.82 0.10 1.44 3.38 -1.08 -1.80 115.31 118.64 3ddl h LEU 170 Ca 0.23 -0.43 -0.31 0.00 0.09 0.00 0.00 57.88 57.46 3ddl h LEU 170 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3ddl h LEU 170 CO -0.17 1.08 -1.64 -0.26 0.09 0.00 0.00 178.44 177.53 3ddl h PHE 171 N 0.58 0.37 0.00 1.13 -1.00 -0.82 -3.36 116.94 113.83 3ddl h PHE 171 Ca 0.07 -0.27 -0.35 0.00 2.81 0.00 0.00 57.97 60.23 3ddl h PHE 171 Cb 0.79 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.29 3ddl h PHE 171 CO 0.06 1.38 -2.17 2.41 -1.61 0.00 0.00 178.31 178.39 3ddl n THR 172 N -3.38 1.50 0.27 -1.55 -1.04 0.57 -3.91 114.28 106.74 3ddl n THR 172 Ca -0.19 -0.26 0.16 0.00 -2.04 0.00 0.00 64.05 61.72 3ddl n THR 172 Cb 1.04 -1.98 0.68 0.00 -1.82 0.00 0.00 70.33 68.25 3ddl n THR 172 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3ddl h GLN 173 N -0.98 0.00 -0.03 -2.82 4.15 -1.33 -3.05 115.11 111.05 3ddl h GLN 173 Ca -0.53 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.89 3ddl h GLN 173 Cb 1.46 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.15 3ddl h GLN 173 CO -0.32 0.05 0.00 1.28 -1.93 0.00 0.00 178.83 177.91 3ddl n LEU 174 N -3.19 1.92 -0.27 -2.39 4.77 -0.71 -4.64 117.00 112.49 3ddl n LEU 174 Ca 0.00 -1.07 0.14 0.00 -0.03 0.00 0.00 56.01 55.05 3ddl n LEU 174 Cb 0.31 -0.01 0.41 0.00 -2.33 0.00 0.00 43.42 41.80 3ddl n LEU 174 CO 0.28 0.38 1.22 1.23 -1.33 0.00 0.00 177.39 179.17 3ddl h GLY 175 N 2.00 1.18 1.41 -0.72 0.00 -1.65 -0.72 103.07 104.57 3ddl h GLY 175 Ca 0.00 -0.27 -0.31 0.00 0.00 0.00 0.00 47.33 46.75 3ddl h GLY 175 CO 0.00 0.04 -1.40 -0.55 0.00 0.00 0.00 176.54 174.63 3ddl h ASP 176 N 0.62 0.61 -0.88 0.19 3.32 -1.82 -2.47 116.42 115.99 3ddl h ASP 176 Ca 0.47 -0.68 0.06 0.00 0.02 0.00 0.00 57.03 56.90 3ddl h ASP 176 Cb 0.88 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 3ddl h ASP 176 CO -0.22 1.54 0.57 0.74 -1.72 0.00 0.00 179.24 180.15 3ddl h THR 177 N 0.11 1.09 -0.09 0.35 2.02 -1.63 -1.70 112.91 113.05 3ddl h THR 177 Ca -0.21 -0.35 -0.22 0.00 0.77 0.00 0.00 66.41 66.40 3ddl h THR 177 Cb 2.07 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 68.46 3ddl h THR 177 CO 0.23 0.19 -0.82 0.40 0.37 0.00 0.00 175.52 175.89 3ddl h ILE 178 N 1.02 1.32 0.00 3.11 2.04 -1.18 -3.13 117.51 120.69 3ddl h ILE 178 Ca 0.37 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 64.12 3ddl h ILE 178 Cb 0.15 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3ddl h ILE 178 CO -0.13 0.65 0.00 1.56 0.00 0.00 0.00 178.15 180.23 3ddl h GLN 179 N 0.41 0.00 0.00 2.37 1.08 -0.93 -2.79 115.11 115.26 3ddl h GLN 179 Ca -0.06 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 3ddl h GLN 179 Cb 1.44 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.86 3ddl h GLN 179 CO 0.16 0.00 -0.29 -0.09 -0.95 0.00 0.00 178.83 177.66 3ddl h ARG 180 N 0.00 0.00 -7.38 1.46 2.43 -1.27 -3.46 114.38 106.16 3ddl h ARG 180 Ca 0.00 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.69 3ddl h ARG 180 Cb 0.45 0.00 0.13 0.00 -0.42 0.00 0.00 29.97 30.13 3ddl h ARG 180 CO 0.00 0.29 0.28 -0.65 -1.51 0.00 0.00 179.97 178.38 3ddl s GLN 181 N -3.42 1.49 1.16 0.20 -1.52 -1.05 -5.01 119.66 111.51 3ddl s GLN 181 Ca 0.02 0.69 -0.15 0.00 -1.95 0.00 0.00 55.36 53.97 3ddl s GLN 181 Cb 0.09 -1.85 0.22 0.00 -0.22 0.00 0.00 33.01 31.25 3ddl s GLN 181 CO 0.67 -2.05 0.62 -1.13 -0.25 0.00 0.00 175.29 173.16 3ddl n SER 182 N -3.73 -2.02 -0.11 5.90 3.41 -1.26 -4.55 113.62 111.26 3ddl n SER 182 Ca 0.07 -0.15 -0.07 0.00 -0.26 0.00 0.00 58.87 58.46 3ddl n SER 182 Cb 0.56 -1.14 0.01 0.00 -0.26 0.00 0.00 64.21 63.38 3ddl n SER 182 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3ddl h SER 183 N -2.46 0.26 -0.29 4.04 0.87 -1.95 -0.44 113.55 113.57 3ddl h SER 183 Ca -0.59 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 59.86 3ddl h SER 183 Cb 1.34 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3ddl h SER 183 CO 0.45 0.19 -0.33 -0.09 -0.53 0.00 0.00 176.83 176.53 3ddl h ARG 184 N 0.37 0.74 -0.31 2.24 2.43 -2.00 -2.43 114.38 115.43 3ddl h ARG 184 Ca 0.15 -0.40 -0.06 0.00 -0.81 0.00 0.00 59.98 58.86 3ddl h ARG 184 Cb 0.06 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3ddl h ARG 184 CO -0.11 1.02 -0.03 0.28 -1.51 0.00 0.00 179.97 179.63 3ddl h VAL 185 N 0.49 1.27 -0.97 0.20 2.07 -1.90 -1.61 116.25 115.79 3ddl h VAL 185 Ca 0.04 -1.01 0.12 0.00 0.82 0.00 0.00 66.70 66.67 3ddl h VAL 185 Cb 0.90 1.31 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 3ddl h VAL 185 CO 0.08 0.33 0.62 -1.28 0.02 0.00 0.00 177.57 177.33 3ddl h SER 186 N 0.34 0.86 -0.14 0.57 0.87 -1.08 -0.22 113.55 114.74 3ddl h SER 186 Ca 0.08 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.54 3ddl h SER 186 Cb 0.49 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3ddl h SER 186 CO 0.02 0.46 -0.49 0.74 -0.53 0.00 0.00 176.83 177.03 3ddl h THR 187 N 0.92 1.34 -0.52 2.23 2.02 -1.22 -1.72 112.91 115.97 3ddl h THR 187 Ca 0.48 -1.77 -0.04 0.00 0.77 0.00 0.00 66.41 65.85 3ddl h THR 187 Cb 0.53 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 3ddl h THR 187 CO -0.25 0.54 0.15 -0.07 0.37 0.00 0.00 175.52 176.27 3ddl h LEU 188 N 0.23 0.76 -0.87 2.58 3.38 -0.55 -0.19 115.31 120.65 3ddl h LEU 188 Ca -0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3ddl h LEU 188 Cb 1.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 3ddl h LEU 188 CO 0.10 0.78 0.19 -0.07 0.09 0.00 0.00 178.44 179.53 3ddl h LEU 189 N 0.71 0.96 -0.64 1.67 3.38 -1.11 -0.23 115.31 120.05 3ddl h LEU 189 Ca 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3ddl h LEU 189 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3ddl h LEU 189 CO -0.00 0.91 0.30 1.23 0.09 0.00 0.00 178.44 180.97 3ddl h GLY 190 N 1.06 0.98 1.83 0.83 0.00 -0.93 -1.55 103.07 105.29 3ddl h GLY 190 Ca 0.21 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 3ddl h GLY 190 CO -0.00 0.47 -0.44 3.43 0.00 0.00 0.00 176.54 179.99 3ddl h ASN 191 N 0.88 0.19 -0.36 0.19 2.35 -0.47 -1.91 115.58 116.45 3ddl h ASN 191 Ca 0.22 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 3ddl h ASN 191 Cb 0.12 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3ddl h ASN 191 CO -0.03 0.62 -0.28 0.00 -1.65 0.00 0.00 177.43 176.09 3ddl h ALA 192 N 1.39 0.52 -0.75 -0.83 0.00 -0.69 -0.28 119.26 118.62 3ddl h ALA 192 Ca 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3ddl h ALA 192 Cb 0.85 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3ddl h ALA 192 CO 0.07 0.54 0.29 -0.09 0.00 0.00 0.00 179.25 180.06 3ddl h ARG 193 N 0.62 1.12 -0.32 0.00 2.43 -1.14 -1.33 114.38 115.77 3ddl h ARG 193 Ca 0.07 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 58.95 3ddl h ARG 193 Cb 0.85 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3ddl h ARG 193 CO 0.07 0.91 -0.15 1.25 -1.51 0.00 0.00 179.97 180.54 3ddl h LEU 194 N 1.09 0.68 -0.95 3.80 5.85 -1.16 -1.96 115.31 122.67 3ddl h LEU 194 Ca 0.25 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3ddl h LEU 194 Cb 0.22 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3ddl h LEU 194 CO -0.02 0.94 0.59 0.25 -0.34 0.00 0.00 178.44 179.86 3ddl h LEU 195 N 0.43 1.12 0.18 2.25 5.85 -0.81 -1.52 115.31 122.81 3ddl h LEU 195 Ca 0.07 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3ddl h LEU 195 Cb 0.68 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3ddl h LEU 195 CO 0.05 0.84 -0.09 0.25 -0.34 0.00 0.00 178.44 179.15 3ddl h LEU 196 N 1.30 -0.21 -0.21 2.25 6.46 -1.05 -0.46 115.31 123.39 3ddl h LEU 196 Ca 0.34 -0.05 0.05 0.00 -0.12 0.00 0.00 57.88 58.11 3ddl h LEU 196 Cb -0.09 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 39.84 3ddl h LEU 196 CO -0.07 -0.09 -0.13 0.25 -0.62 0.00 0.00 178.44 177.78 3ddl h LEU 197 N -0.31 -0.43 -0.06 2.25 5.85 -1.03 0.19 115.31 121.77 3ddl h LEU 197 Ca -0.03 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3ddl h LEU 197 Cb 0.24 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 3ddl h LEU 197 CO 0.04 -0.17 0.03 0.00 -0.34 0.00 0.00 178.44 178.01 3ddl h ALA 198 N 1.03 0.08 -0.05 1.25 0.00 -1.24 0.21 119.26 120.53 3ddl h ALA 198 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3ddl h ALA 198 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ddl h ALA 198 CO -0.28 -0.38 -0.20 1.79 0.00 0.00 0.00 179.25 180.17 3ddl h THR 199 N 0.01 1.45 -0.50 0.00 1.35 -0.95 -3.01 112.91 111.26 3ddl h THR 199 Ca 0.02 -1.63 -0.01 0.00 -0.55 0.00 0.00 66.41 64.24 3ddl h THR 199 Cb 0.08 2.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 3ddl h THR 199 CO -0.00 0.45 0.26 -0.50 -0.25 0.00 0.00 175.52 175.48 3ddl h TRP 200 N -0.31 0.67 -0.25 4.73 4.06 -0.66 -1.83 115.95 122.36 3ddl h TRP 200 Ca -0.01 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 60.97 3ddl h TRP 200 Cb 0.84 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.77 3ddl h TRP 200 CO 0.13 0.48 0.17 0.78 -3.56 0.00 0.00 178.44 176.45 3ddl h GLY 201 N 0.78 0.20 0.65 1.49 0.00 -0.56 -2.73 103.07 102.90 3ddl h GLY 201 Ca 0.18 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.50 3ddl h GLY 201 CO -0.03 0.06 0.39 -2.75 0.00 0.00 0.00 176.54 174.21 3ddl h PHE 202 N 0.18 0.72 -0.19 5.60 3.57 -1.19 -3.10 116.94 122.52 3ddl h PHE 202 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3ddl h PHE 202 Cb 0.21 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3ddl h PHE 202 CO -0.00 0.33 0.12 1.88 -2.23 0.00 0.00 178.31 178.42 3ddl h TYR 203 N 0.71 0.23 0.00 0.41 0.05 -1.61 -0.24 116.97 116.53 3ddl h TYR 203 Ca 0.32 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 59.04 3ddl h TYR 203 Cb 0.21 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 3ddl h TYR 203 CO -0.08 0.15 -0.31 -1.00 -1.05 0.00 0.00 178.16 175.87 3ddl h PRO 204 N 0.25 0.00 -0.16 4.88 0.13 -1.69 0.13 132.00 135.53 3ddl h PRO 204 Ca 0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 3ddl h PRO 204 Cb -0.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 3ddl h PRO 204 CO -0.02 0.31 -0.01 0.82 -0.23 0.00 0.00 178.00 178.87 3ddl h ILE 205 N 0.00 1.27 -0.22 -3.56 2.04 -1.38 -2.08 117.51 113.57 3ddl h ILE 205 Ca -0.00 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 3ddl h ILE 205 Cb 0.59 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3ddl h ILE 205 CO 0.04 0.27 -0.12 0.00 0.00 0.00 0.00 178.15 178.34 3ddl h ALA 206 N 0.75 1.40 -0.39 1.87 0.00 -0.76 -1.77 119.26 120.35 3ddl h ALA 206 Ca 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3ddl h ALA 206 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ddl h ALA 206 CO 0.01 0.41 0.05 -0.92 0.00 0.00 0.00 179.25 178.81 3ddl h TYR 207 N 0.33 0.61 0.00 0.00 3.20 -0.71 -3.01 116.97 117.39 3ddl h TYR 207 Ca 0.07 -0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 3ddl h TYR 207 Cb 0.41 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3ddl h TYR 207 CO 0.01 0.56 -0.86 0.52 -1.64 0.00 0.00 178.16 176.74 3ddl h MET 208 N 0.58 0.00 -0.98 1.82 2.86 -0.66 -3.39 114.93 115.15 3ddl h MET 208 Ca 0.13 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.90 3ddl h MET 208 Cb 0.28 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.80 3ddl h MET 208 CO 0.00 0.44 -0.45 0.82 1.06 0.00 0.00 176.91 178.78 3ddl h ILE 209 N 0.00 0.00 0.00 -1.22 1.08 -1.20 0.80 117.51 116.97 3ddl h ILE 209 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3ddl h ILE 209 Cb 1.47 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 3ddl h ILE 209 CO 0.06 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.71 3ddl n PRO 210 N -5.40 0.17 -4.04 2.37 -0.04 -1.26 -4.81 135.00 121.99 3ddl n PRO 210 Ca 0.07 0.16 -0.22 0.00 -0.04 0.00 0.00 63.50 63.47 3ddl n PRO 210 Cb 0.35 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.26 3ddl n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ddl s MET 211 N -2.48 2.59 0.00 0.54 0.23 0.28 -4.89 119.30 115.57 3ddl s MET 211 Ca 0.11 -1.34 0.00 0.00 -1.03 0.00 0.00 55.69 53.43 3ddl s MET 211 Cb 0.07 -2.35 0.00 0.00 -1.53 0.00 0.00 34.83 31.01 3ddl s MET 211 CO 0.15 0.21 0.00 0.00 -2.03 0.00 0.00 175.02 173.34 3ddl n ALA 212 N -1.19 0.00 -2.78 3.16 0.00 -1.26 -4.93 120.51 113.51 3ddl n ALA 212 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 3ddl n ALA 212 Cb 0.60 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.09 3ddl n ALA 212 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ddl n ASN 220 N -0.79 1.50 -4.90 0.00 6.94 -1.26 -2.70 115.26 114.05 3ddl n ASN 220 Ca 0.00 -2.24 -0.28 0.00 -0.02 0.00 0.00 54.58 52.05 3ddl n ASN 220 Cb 0.00 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 36.94 3ddl n ASN 220 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3ddl s THR 221 N -3.56 4.76 0.19 5.53 -4.23 -1.26 -4.12 115.64 112.95 3ddl s THR 221 Ca 0.27 0.28 -0.13 0.00 -1.18 0.00 0.00 61.69 60.93 3ddl s THR 221 Cb 0.36 -3.83 0.15 0.00 1.34 0.00 0.00 72.50 70.52 3ddl s THR 221 CO -0.02 -0.86 1.68 -0.65 -0.54 0.00 0.00 174.62 174.24 3ddl h PRO 222 N 0.11 0.12 -0.85 3.99 0.11 -1.91 -2.09 132.00 131.48 3ddl h PRO 222 Ca -0.46 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.69 3ddl h PRO 222 Cb 1.21 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3ddl h PRO 222 CO 0.62 0.08 0.55 0.78 -0.21 0.00 0.00 178.00 179.82 3ddl h GLY 223 N 0.12 1.20 1.19 -0.55 0.00 -1.97 -2.21 103.07 100.86 3ddl h GLY 223 Ca 0.27 -0.40 -0.22 0.00 0.00 0.00 0.00 47.33 46.98 3ddl h GLY 223 CO -0.44 0.32 -0.76 -0.84 0.00 0.00 0.00 176.54 174.82 3ddl h THR 224 N 1.00 1.28 -0.38 4.70 2.02 -1.78 -1.95 112.91 117.80 3ddl h THR 224 Ca 0.35 -1.95 -0.16 0.00 0.77 0.00 0.00 66.41 65.41 3ddl h THR 224 Cb 0.12 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 3ddl h THR 224 CO -0.12 0.62 -0.40 -0.29 0.37 0.00 0.00 175.52 175.71 3ddl h ILE 225 N 0.55 1.27 -0.01 3.11 2.10 -1.25 -1.21 117.51 122.07 3ddl h ILE 225 Ca -0.05 -1.57 -0.00 0.00 1.08 0.00 0.00 64.86 64.32 3ddl h ILE 225 Cb 1.38 1.39 -0.00 0.00 -1.09 0.00 0.00 36.82 38.51 3ddl h ILE 225 CO 0.16 0.53 0.00 0.58 -1.08 0.00 0.00 178.15 178.34 3ddl h VAL 226 N 0.76 1.13 -0.55 2.19 2.07 -1.46 -1.83 116.25 118.56 3ddl h VAL 226 Ca 0.06 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3ddl h VAL 226 Cb 0.99 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3ddl h VAL 226 CO 0.10 0.10 0.20 0.00 0.02 0.00 0.00 177.57 177.99 3ddl h ALA 227 N 0.84 1.33 -0.06 1.67 0.00 -1.30 -1.57 119.26 120.16 3ddl h ALA 227 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3ddl h ALA 227 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ddl h ALA 227 CO -0.00 0.50 -0.08 -0.07 0.00 0.00 0.00 179.25 179.59 3ddl h LEU 228 N 0.79 0.18 -0.91 0.00 3.38 -1.10 -1.87 115.31 115.78 3ddl h LEU 228 Ca 0.19 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3ddl h LEU 228 Cb 0.18 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3ddl h LEU 228 CO -0.01 0.67 0.51 1.56 0.09 0.00 0.00 178.44 181.25 3ddl h GLN 229 N -0.30 1.26 -0.52 1.13 1.08 -1.27 -0.15 115.11 116.34 3ddl h GLN 229 Ca 0.01 -0.14 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 3ddl h GLN 229 Cb 0.63 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 3ddl h GLN 229 CO 0.02 0.91 0.00 0.28 -0.95 0.00 0.00 178.83 179.10 3ddl h VAL 230 N 1.27 1.26 0.04 -0.54 2.07 -1.31 -1.22 116.25 117.83 3ddl h VAL 230 Ca 0.32 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 3ddl h VAL 230 Cb 0.01 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3ddl h VAL 230 CO -0.05 0.39 -0.02 1.23 0.02 0.00 0.00 177.57 179.13 3ddl h GLY 231 N 0.79 -0.05 1.46 2.17 0.00 -0.96 -2.26 103.07 104.22 3ddl h GLY 231 Ca 0.15 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.53 3ddl h GLY 231 CO 0.03 -0.02 0.30 -0.97 0.00 0.00 0.00 176.54 175.88 3ddl h TYR 232 N -0.36 0.50 -0.05 5.60 0.05 -1.02 -1.74 116.97 119.95 3ddl h TYR 232 Ca -0.01 0.01 -0.17 0.00 0.05 0.00 0.00 58.73 58.62 3ddl h TYR 232 Cb 0.33 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3ddl h TYR 232 CO 0.03 0.29 -0.72 1.15 -1.05 0.00 0.00 178.16 177.86 3ddl h THR 233 N 0.52 1.42 -0.17 -2.88 2.02 -1.10 -0.94 112.91 111.77 3ddl h THR 233 Ca 0.18 -2.22 -0.14 0.00 0.77 0.00 0.00 66.41 65.00 3ddl h THR 233 Cb 0.09 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 3ddl h THR 233 CO -0.05 0.65 -0.46 0.40 0.37 0.00 0.00 175.52 176.44 3ddl h ILE 234 N 0.18 1.33 0.09 3.11 2.04 -1.08 -2.04 117.51 121.15 3ddl h ILE 234 Ca -0.02 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.11 3ddl h ILE 234 Cb 1.28 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 3ddl h ILE 234 CO 0.11 0.53 -0.04 0.00 0.00 0.00 0.00 178.15 178.75 3ddl h ALA 235 N 0.56 -0.13 -0.56 1.87 0.00 -1.24 -1.26 119.26 118.50 3ddl h ALA 235 Ca -0.01 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3ddl h ALA 235 Cb 1.08 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3ddl h ALA 235 CO 0.10 -0.57 0.30 -0.44 0.00 0.00 0.00 179.25 178.64 3ddl h ASP 236 N -0.13 0.44 -0.60 0.00 3.32 -1.20 0.20 116.42 118.45 3ddl h ASP 236 Ca -0.01 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3ddl h ASP 236 Cb 0.10 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3ddl h ASP 236 CO 0.02 0.30 0.16 0.58 -1.72 0.00 0.00 179.24 178.58 3ddl h VAL 237 N 0.57 1.25 -0.09 -1.35 2.07 -1.19 -2.24 116.25 115.27 3ddl h VAL 237 Ca 0.25 -0.87 -0.22 0.00 0.82 0.00 0.00 66.70 66.68 3ddl h VAL 237 Cb 0.14 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3ddl h VAL 237 CO -0.16 0.33 -0.82 -0.07 0.02 0.00 0.00 177.57 176.87 3ddl h LEU 238 N 0.86 0.75 -1.40 2.57 3.38 -0.90 -1.14 115.31 119.43 3ddl h LEU 238 Ca 0.19 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3ddl h LEU 238 Cb 0.33 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ddl h LEU 238 CO -0.00 1.30 -0.02 0.00 0.09 0.00 0.00 178.44 179.81 3ddl h ALA 239 N 0.68 1.00 0.00 1.53 0.00 -0.54 -1.39 119.26 120.54 3ddl h ALA 239 Ca -0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3ddl h ALA 239 Cb 1.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3ddl h ALA 239 CO 0.16 0.02 -0.70 1.63 0.00 0.00 0.00 179.25 180.35 3ddl n LYS 240 N -3.12 0.10 -0.06 0.00 5.02 -0.85 -4.48 118.16 114.78 3ddl n LYS 240 Ca 0.01 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 3ddl n LYS 240 Cb 0.32 -0.67 -0.11 0.00 -0.02 0.00 0.00 35.03 34.55 3ddl n LYS 240 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ddl h ALA 241 N -0.17 -0.01 -0.52 7.82 0.00 -1.42 -0.88 119.26 124.08 3ddl h ALA 241 Ca -0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3ddl h ALA 241 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3ddl h ALA 241 CO -0.04 -0.05 0.24 0.78 0.00 0.00 0.00 179.25 180.18 3ddl h GLY 242 N -0.93 0.81 1.02 0.00 0.00 -1.44 -1.36 103.07 101.17 3ddl h GLY 242 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3ddl h GLY 242 CO 0.00 0.39 0.36 -1.82 0.00 0.00 0.00 176.54 175.48 3ddl h TYR 243 N 0.69 1.06 -0.99 5.60 3.20 -1.38 -2.33 116.97 122.83 3ddl h TYR 243 Ca 0.18 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3ddl h TYR 243 Cb 0.14 -0.33 -0.06 0.00 1.54 0.00 0.00 36.73 38.03 3ddl h TYR 243 CO -0.00 0.78 0.65 0.78 -1.64 0.00 0.00 178.16 178.73 3ddl h GLY 244 N 1.04 1.43 1.44 1.82 0.00 -0.57 -0.85 103.07 107.38 3ddl h GLY 244 Ca 0.26 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 3ddl h GLY 244 CO -0.03 0.45 0.08 -2.08 0.00 0.00 0.00 176.54 174.95 3ddl h VAL 245 N 1.28 1.21 -0.43 4.60 2.07 -0.73 -0.47 116.25 123.78 3ddl h VAL 245 Ca 0.39 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 3ddl h VAL 245 Cb -0.04 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3ddl h VAL 245 CO -0.11 0.28 -0.20 -0.07 0.02 0.00 0.00 177.57 177.50 3ddl h LEU 246 N 0.68 0.86 -0.51 2.57 3.38 -1.01 -1.71 115.31 119.56 3ddl h LEU 246 Ca 0.15 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3ddl h LEU 246 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3ddl h LEU 246 CO 0.00 1.03 0.25 0.40 0.09 0.00 0.00 178.44 180.21 3ddl h ILE 247 N 0.74 1.19 -0.50 1.22 1.08 -0.47 -1.83 117.51 118.94 3ddl h ILE 247 Ca 0.11 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 3ddl h ILE 247 Cb 0.72 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 3ddl h ILE 247 CO 0.06 0.21 0.32 0.22 -0.69 0.00 0.00 178.15 178.27 3ddl h TYR 248 N 0.68 0.64 -0.09 1.37 3.20 -0.91 -1.37 116.97 120.49 3ddl h TYR 248 Ca 0.17 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3ddl h TYR 248 Cb 0.11 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 3ddl h TYR 248 CO -0.01 0.42 -0.22 -0.91 -1.64 0.00 0.00 178.16 175.81 3ddl h ASN 249 N 0.67 0.15 -0.12 -2.11 4.21 -1.05 0.43 115.58 117.77 3ddl h ASN 249 Ca 0.18 -0.04 -0.05 0.00 1.21 0.00 0.00 56.30 57.61 3ddl h ASN 249 Cb -0.04 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.11 3ddl h ASN 249 CO -0.04 0.38 -0.11 0.40 -1.29 0.00 0.00 177.43 176.78 3ddl h ILE 250 N 0.15 1.35 -0.98 2.81 2.04 -0.97 0.88 117.51 122.78 3ddl h ILE 250 Ca 0.03 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.65 3ddl h ILE 250 Cb 0.47 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 3ddl h ILE 250 CO 0.03 0.36 0.65 0.00 0.00 0.00 0.00 178.15 179.19 3ddl h ALA 251 N 0.60 1.31 -0.23 1.87 0.00 -0.83 -0.98 119.26 120.99 3ddl h ALA 251 Ca 0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3ddl h ALA 251 Cb 0.62 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ddl h ALA 251 CO 0.03 0.64 -0.20 -0.22 0.00 0.00 0.00 179.25 179.50 3ddl h LYS 252 N 1.32 0.54 -0.74 0.00 3.64 -0.82 -0.83 116.57 119.69 3ddl h LYS 252 Ca 0.36 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3ddl h LYS 252 Cb -0.14 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3ddl h LYS 252 CO -0.08 0.85 0.27 0.00 -2.27 0.00 0.00 179.45 178.22 3ddl h ALA 253 N 0.68 1.07 -0.29 5.00 0.00 -0.56 -2.17 119.26 122.99 3ddl h ALA 253 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3ddl h ALA 253 Cb 0.74 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ddl h ALA 253 CO 0.05 0.65 -0.24 0.87 0.00 0.00 0.00 179.25 180.57 3ddl h LYS 254 N 1.09 0.68 -0.18 0.00 1.57 -1.14 -2.13 116.57 116.46 3ddl h LYS 254 Ca 0.24 -0.34 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3ddl h LYS 254 Cb 0.25 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 3ddl h LYS 254 CO -0.01 0.95 -0.15 0.77 -0.57 0.00 0.00 179.45 180.44 3ddl h SER 255 N 0.43 -0.48 -0.41 0.86 0.02 -0.98 -1.96 113.55 111.03 3ddl h SER 255 Ca 0.05 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3ddl h SER 255 Cb 0.80 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 3ddl h SER 255 CO 0.06 -0.19 0.21 -0.33 -1.14 0.00 0.00 176.83 175.44 3ddl h GLU 256 N -0.16 0.41 -0.66 3.45 5.08 -1.34 -2.17 114.58 119.19 3ddl h GLU 256 Ca 0.11 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3ddl h GLU 256 Cb 0.33 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3ddl h GLU 256 CO -0.28 0.27 0.44 0.93 -1.00 0.00 0.00 179.01 179.37 3ddl h GLU 257 N 0.42 0.75 -1.51 2.33 5.08 -1.05 -1.94 114.58 118.66 3ddl h GLU 257 Ca 0.18 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 3ddl h GLU 257 Cb 0.08 -0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.06 3ddl h GLU 257 CO -0.12 0.50 0.28 0.39 -1.00 0.00 0.00 179.01 179.05 3ddl n GLU 258 N -4.46 1.53 -1.82 2.33 1.02 -0.77 -4.85 120.64 113.62 3ddl n GLU 258 Ca 0.08 -1.07 -0.00 0.00 -0.02 0.00 0.00 57.16 56.15 3ddl n GLU 258 Cb 0.14 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3ddl n GLU 258 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ddl n GLY 259 N 0.52 -0.26 3.81 0.62 0.00 -0.73 -4.90 105.19 104.26 3ddl n GLY 259 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3ddl n GLY 259 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ddl s PHE 260 N -1.56 3.43 -0.93 1.61 0.08 -0.89 -5.04 117.98 114.69 3ddl s PHE 260 Ca 0.00 1.65 0.07 0.00 0.12 0.00 0.00 56.93 58.78 3ddl s PHE 260 Cb 0.00 -2.86 0.06 0.00 -0.57 0.00 0.00 43.02 39.64 3ddl s PHE 260 CO 0.00 -0.00 0.73 0.09 -0.10 0.00 0.00 175.22 175.94