#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddl n LEU 5 N 0.00 2.78 -4.83 -1.84 7.94 -1.26 -4.96 117.00 114.82 3ddl n LEU 5 Ca 0.00 1.08 -0.31 0.00 -1.11 0.00 0.00 56.01 55.66 3ddl n LEU 5 Cb 0.00 -1.38 0.03 0.00 0.53 0.00 0.00 43.42 42.61 3ddl n LEU 5 CO 0.00 -1.28 0.71 -2.16 -1.11 0.00 0.00 177.39 173.55 3ddl s PRO 6 N -1.98 3.19 0.43 1.96 0.04 -1.26 -4.66 135.00 132.73 3ddl s PRO 6 Ca 0.62 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.34 3ddl s PRO 6 Cb -0.57 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.87 3ddl s PRO 6 CO 0.58 -0.90 1.28 -0.08 0.04 0.00 0.00 177.00 177.92 3ddl s THR 7 N -3.00 2.65 0.12 1.26 -1.32 -1.26 -4.72 115.64 109.37 3ddl s THR 7 Ca 0.58 0.55 0.09 0.00 -1.21 0.00 0.00 61.69 61.69 3ddl s THR 7 Cb -0.13 -3.31 -0.04 0.00 -1.51 0.00 0.00 72.50 67.51 3ddl s THR 7 CO 0.52 0.05 -0.21 -0.76 -2.21 0.00 0.00 174.62 172.01 3ddl s LEU 8 N -2.69 2.34 0.75 9.08 1.43 0.38 -4.77 118.68 125.20 3ddl s LEU 8 Ca 0.60 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 3ddl s LEU 8 Cb -0.36 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 44.97 3ddl s LEU 8 CO 0.46 0.05 1.08 0.42 0.23 0.00 0.00 176.35 178.60 3ddl s THR 9 N -1.38 3.43 0.39 5.49 -4.23 -1.26 0.20 115.64 118.29 3ddl s THR 9 Ca 0.10 0.47 0.06 0.00 -1.18 0.00 0.00 61.69 61.14 3ddl s THR 9 Cb -0.09 -3.24 0.27 0.00 1.34 0.00 0.00 72.50 70.79 3ddl s THR 9 CO 0.05 -0.61 2.04 -0.65 -0.54 0.00 0.00 174.62 174.91 3ddl h PRO 10 N -0.92 0.61 -0.51 3.99 0.11 -1.95 -1.50 132.00 131.83 3ddl h PRO 10 Ca -0.46 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3ddl h PRO 10 Cb 1.25 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3ddl h PRO 10 CO 0.59 0.41 0.12 0.78 -0.21 0.00 0.00 178.00 179.68 3ddl h GLY 11 N 0.63 0.88 0.97 -0.55 0.00 -1.96 -0.44 103.07 102.61 3ddl h GLY 11 Ca 0.19 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 3ddl h GLY 11 CO -0.04 0.52 -0.36 1.46 0.00 0.00 0.00 176.54 178.11 3ddl h GLN 12 N 0.71 0.68 -0.06 4.80 4.20 -1.82 -1.54 115.11 122.08 3ddl h GLN 12 Ca 0.16 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 3ddl h GLN 12 Cb 0.34 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 3ddl h GLN 12 CO 0.00 1.02 0.03 -0.92 -0.67 0.00 0.00 178.83 178.29 3ddl h TYR 13 N 0.40 0.08 -0.29 2.96 3.20 -1.23 -3.03 116.97 119.05 3ddl h TYR 13 Ca 0.02 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 3ddl h TYR 13 Cb 0.95 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 3ddl h TYR 13 CO 0.08 0.15 -0.20 0.77 -1.64 0.00 0.00 178.16 177.32 3ddl h SER 14 N -0.01 0.53 -0.42 -2.11 0.02 -1.09 -0.75 113.55 109.71 3ddl h SER 14 Ca 0.02 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3ddl h SER 14 Cb 0.10 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3ddl h SER 14 CO -0.00 0.74 0.26 0.25 -1.14 0.00 0.00 176.83 176.94 3ddl h LEU 15 N 0.48 0.43 -0.13 5.07 5.85 -1.23 -0.76 115.31 125.02 3ddl h LEU 15 Ca 0.08 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3ddl h LEU 15 Cb 0.62 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3ddl h LEU 15 CO 0.04 0.31 -0.08 0.58 -0.34 0.00 0.00 178.44 178.96 3ddl h VAL 16 N 0.53 1.33 -0.38 1.05 2.07 -1.40 -1.93 116.25 117.51 3ddl h VAL 16 Ca 0.16 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.56 3ddl h VAL 16 Cb -0.02 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3ddl h VAL 16 CO -0.06 0.33 0.18 0.15 0.02 0.00 0.00 177.57 178.19 3ddl h PHE 17 N -0.08 0.33 -0.21 1.57 3.57 -1.01 0.34 116.94 121.46 3ddl h PHE 17 Ca 0.03 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 3ddl h PHE 17 Cb 0.56 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3ddl h PHE 17 CO 0.07 0.16 -0.35 -0.91 -2.23 0.00 0.00 178.31 175.06 3ddl h ASN 18 N 0.37 0.45 -0.21 0.41 2.35 -1.19 -0.69 115.58 117.08 3ddl h ASN 18 Ca 0.16 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3ddl h ASN 18 Cb 0.09 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3ddl h ASN 18 CO -0.13 0.77 0.06 -0.03 -1.65 0.00 0.00 177.43 176.46 3ddl h MET 19 N 0.37 0.32 -0.27 0.81 4.05 -0.76 0.18 114.93 119.62 3ddl h MET 19 Ca 0.04 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3ddl h MET 19 Cb 0.79 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 3ddl h MET 19 CO 0.06 0.42 0.17 0.74 0.23 0.00 0.00 176.91 178.53 3ddl h PHE 20 N 0.16 0.36 -0.99 1.39 0.04 -0.75 -2.24 116.94 114.91 3ddl h PHE 20 Ca 0.07 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.85 3ddl h PHE 20 Cb 0.24 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.22 3ddl h PHE 20 CO 0.00 0.27 0.65 0.77 -0.60 0.00 0.00 178.31 179.40 3ddl h SER 21 N 0.35 1.12 -0.82 2.17 0.02 -0.94 -1.21 113.55 114.23 3ddl h SER 21 Ca 0.10 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3ddl h SER 21 Cb 0.01 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 3ddl h SER 21 CO -0.02 0.80 0.38 0.15 -1.14 0.00 0.00 176.83 177.00 3ddl h PHE 22 N 1.31 1.20 -0.41 3.45 3.57 -0.47 -2.00 116.94 123.60 3ddl h PHE 22 Ca 0.37 -0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.67 3ddl h PHE 22 Cb -0.12 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.24 3ddl h PHE 22 CO -0.00 0.88 -0.27 1.15 -2.23 0.00 0.00 178.31 177.84 3ddl h THR 23 N 1.18 1.27 -0.51 4.41 2.02 -0.78 0.16 112.91 120.66 3ddl h THR 23 Ca 0.28 -1.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.02 3ddl h THR 23 Cb 0.14 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3ddl h THR 23 CO -0.03 0.48 0.22 0.58 0.37 0.00 0.00 175.52 177.14 3ddl h VAL 24 N 0.74 1.21 -0.54 3.16 2.07 -1.06 0.22 116.25 122.05 3ddl h VAL 24 Ca 0.09 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 3ddl h VAL 24 Cb 0.82 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3ddl h VAL 24 CO 0.07 0.24 0.03 0.00 0.02 0.00 0.00 177.57 177.93 3ddl h ALA 25 N 1.07 0.73 -0.33 1.67 0.00 -0.99 -2.17 119.26 119.23 3ddl h ALA 25 Ca 0.17 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3ddl h ALA 25 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ddl h ALA 25 CO -0.02 0.52 -0.05 1.15 0.00 0.00 0.00 179.25 180.86 3ddl h THR 26 N 0.82 1.27 -0.55 0.00 2.02 -0.52 -1.67 112.91 114.28 3ddl h THR 26 Ca 0.16 -1.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.21 3ddl h THR 26 Cb 0.49 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3ddl h THR 26 CO 0.02 0.35 0.09 0.24 0.37 0.00 0.00 175.52 176.59 3ddl h MET 27 N 0.41 0.87 -0.50 6.66 2.86 -0.91 -0.12 114.93 124.21 3ddl h MET 27 Ca 0.09 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 3ddl h MET 27 Cb 0.52 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3ddl h MET 27 CO 0.03 0.81 0.14 1.15 1.06 0.00 0.00 176.91 180.10 3ddl h THR 28 N 0.83 1.23 -0.66 2.22 2.02 -1.29 -0.81 112.91 116.45 3ddl h THR 28 Ca 0.17 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 3ddl h THR 28 Cb 0.37 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3ddl h THR 28 CO 0.01 0.29 0.33 0.00 0.37 0.00 0.00 175.52 176.52 3ddl h ALA 29 N 1.00 0.85 -0.81 6.16 0.00 -0.91 -2.12 119.26 123.43 3ddl h ALA 29 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ddl h ALA 29 Cb 0.30 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3ddl h ALA 29 CO -0.00 0.40 0.36 0.77 0.00 0.00 0.00 179.25 180.78 3ddl h SER 30 N 0.91 1.09 0.04 0.00 0.02 -0.80 0.79 113.55 115.60 3ddl h SER 30 Ca 0.23 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3ddl h SER 30 Cb 0.10 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3ddl h SER 30 CO -0.03 0.94 -0.02 0.15 -1.14 0.00 0.00 176.83 176.72 3ddl h PHE 31 N 1.17 -0.06 -0.56 3.45 3.57 -0.77 0.32 116.94 124.06 3ddl h PHE 31 Ca 0.28 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 3ddl h PHE 31 Cb 0.16 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3ddl h PHE 31 CO 0.02 -0.04 0.16 -0.39 -2.23 0.00 0.00 178.31 175.83 3ddl h VAL 32 N -0.06 1.24 -0.20 1.41 -1.51 -1.16 -1.03 116.25 114.94 3ddl h VAL 32 Ca -0.00 -0.83 0.01 0.00 -1.23 0.00 0.00 66.70 64.65 3ddl h VAL 32 Cb 0.05 0.72 -0.02 0.00 -2.13 0.00 0.00 31.29 29.91 3ddl h VAL 32 CO 0.00 0.31 0.10 0.15 -1.23 0.00 0.00 177.57 176.90 3ddl h PHE 33 N 0.79 0.18 -0.21 5.19 3.57 -0.52 0.28 116.94 126.22 3ddl h PHE 33 Ca 0.18 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 3ddl h PHE 33 Cb 0.30 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3ddl h PHE 33 CO 0.02 0.10 -0.28 0.74 -2.23 0.00 0.00 178.31 176.66 3ddl h PHE 34 N 0.21 0.46 0.11 0.41 0.04 -0.19 0.35 116.94 118.33 3ddl h PHE 34 Ca 0.08 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3ddl h PHE 34 Cb 0.02 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.06 3ddl h PHE 34 CO -0.09 0.66 -0.05 0.28 -0.60 0.00 0.00 178.31 178.50 3ddl h VAL 35 N 0.36 1.08 -0.36 -0.55 2.07 -0.95 -2.78 116.25 115.12 3ddl h VAL 35 Ca 0.05 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3ddl h VAL 35 Cb 0.68 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3ddl h VAL 35 CO 0.05 0.19 0.23 -0.07 0.02 0.00 0.00 177.57 178.00 3ddl h LEU 36 N -0.53 0.41 -0.10 2.57 4.07 -0.30 -2.39 115.31 119.05 3ddl h LEU 36 Ca -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3ddl h LEU 36 Cb 0.43 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.07 3ddl h LEU 36 CO 0.02 0.30 0.00 0.00 -1.08 0.00 0.00 178.44 177.69 3ddl n ALA 37 N -2.48 1.97 -0.27 1.53 0.00 0.12 -3.77 120.51 117.62 3ddl n ALA 37 Ca 0.02 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3ddl n ALA 37 Cb 0.06 -1.37 0.17 0.00 0.00 0.00 0.00 19.45 18.32 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 0.10 -0.13 0.00 2.43 -1.15 -0.69 114.38 114.94 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 0.41 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3ddl h ARG 38 CO 0.00 0.06 0.00 0.09 -1.51 0.00 0.00 179.97 178.61 3ddl n ASN 39 N -5.36 1.00 -1.25 -3.80 5.03 -1.25 -3.63 115.26 106.01 3ddl n ASN 39 Ca 0.14 -1.70 0.12 0.00 0.87 0.00 0.00 54.58 54.01 3ddl n ASN 39 Cb 0.50 -0.08 0.26 0.00 -1.02 0.00 0.00 39.78 39.44 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 -0.08 3.69 -4.26 6.41 3.02 -0.26 -4.94 115.26 118.85 3ddl n ASN 40 Ca 0.13 -2.00 -0.15 0.00 -0.03 0.00 0.00 54.58 52.53 3ddl n ASN 40 Cb 0.20 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.28 1.24 0.79 2.41 -7.23 -1.24 -4.84 120.40 110.25 3ddl s VAL 41 Ca 0.43 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.45 3ddl s VAL 41 Cb 0.24 -1.80 0.07 0.00 0.56 0.00 0.00 36.38 35.45 3ddl s VAL 41 CO 0.32 -0.68 1.20 0.00 -0.31 0.00 0.00 175.10 175.63 3ddl s ALA 42 N -3.10 1.92 0.29 1.32 0.00 -1.26 -4.80 121.76 116.12 3ddl s ALA 42 Ca 0.16 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.98 3ddl s ALA 42 Cb 0.01 -3.48 0.65 0.00 0.00 0.00 0.00 23.12 20.30 3ddl s ALA 42 CO 0.02 -2.17 1.76 -1.35 0.00 0.00 0.00 175.76 174.02 3ddl h PRO 43 N -0.75 0.66 0.00 0.00 0.11 -1.99 -1.23 132.00 128.80 3ddl h PRO 43 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ddl h PRO 43 Cb 1.29 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ddl h PRO 43 CO 0.47 0.43 0.00 0.36 -0.21 0.00 0.00 178.00 179.06 3ddl n LYS 44 N -4.83 0.05 -0.03 1.05 2.85 -1.26 -2.16 118.16 113.83 3ddl n LYS 44 Ca 0.21 0.54 0.02 0.00 -1.05 0.00 0.00 58.31 58.03 3ddl n LYS 44 Cb 0.52 -1.66 0.03 0.00 -0.65 0.00 0.00 35.03 33.27 3ddl n LYS 44 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3ddl n TYR 45 N -1.77 0.07 0.29 5.58 4.02 -0.47 -4.64 117.16 120.24 3ddl n TYR 45 Ca -0.00 -0.18 0.18 0.00 -0.01 0.00 0.00 57.90 57.89 3ddl n TYR 45 Cb 0.02 -0.01 0.78 0.00 -0.02 0.00 0.00 39.34 40.11 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 0.86 0.00 -0.47 -0.72 3.08 -1.39 -2.68 114.38 113.07 3ddl h ARG 46 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3ddl h ARG 46 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3ddl h ARG 46 CO 0.00 0.00 -0.18 0.97 -1.07 0.00 0.00 179.97 179.69 3ddl h ILE 47 N 0.00 1.27 -0.29 2.04 6.09 -1.82 -1.98 117.51 122.81 3ddl h ILE 47 Ca 0.00 -1.33 -0.07 0.00 -1.37 0.00 0.00 64.86 62.09 3ddl h ILE 47 Cb 0.41 1.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.79 3ddl h ILE 47 CO 0.00 0.46 -0.12 0.77 -3.07 0.00 0.00 178.15 176.18 3ddl h SER 48 N 0.80 0.48 0.14 2.19 4.64 -1.81 -0.96 113.55 119.03 3ddl h SER 48 Ca 0.11 -0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3ddl h SER 48 Cb 0.73 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3ddl h SER 48 CO 0.06 0.63 -0.50 0.24 -0.87 0.00 0.00 176.83 176.39 3ddl h MET 49 N 0.46 0.40 -0.13 4.77 2.86 -1.51 -0.52 114.93 121.26 3ddl h MET 49 Ca 0.09 -0.23 -0.17 0.00 -2.06 0.00 0.00 59.70 57.32 3ddl h MET 49 Cb 0.49 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3ddl h MET 49 CO 0.03 0.81 -0.64 0.52 1.06 0.00 0.00 176.91 178.68 3ddl h MET 50 N 0.32 0.49 -0.46 1.72 2.07 -0.95 -0.94 114.93 117.17 3ddl h MET 50 Ca 0.01 -0.35 -0.13 0.00 -2.07 0.00 0.00 59.70 57.17 3ddl h MET 50 Cb 0.99 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.76 3ddl h MET 50 CO 0.09 0.97 -0.21 0.28 1.07 0.00 0.00 176.91 179.11 3ddl h VAL 51 N 0.36 1.27 -0.32 -2.22 2.07 -1.05 -1.47 116.25 114.89 3ddl h VAL 51 Ca -0.01 -1.36 -0.11 0.00 0.82 0.00 0.00 66.70 66.04 3ddl h VAL 51 Cb 1.20 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3ddl h VAL 51 CO 0.12 0.47 -0.25 -1.28 0.02 0.00 0.00 177.57 176.64 3ddl h SER 52 N 0.80 0.64 -0.59 0.57 0.87 -0.95 -1.17 113.55 113.72 3ddl h SER 52 Ca 0.10 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 3ddl h SER 52 Cb 0.78 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3ddl h SER 52 CO 0.06 0.88 0.12 0.00 -0.53 0.00 0.00 176.83 177.36 3ddl h ALA 53 N 1.17 0.78 -0.55 6.23 0.00 -1.02 -2.68 119.26 123.19 3ddl h ALA 53 Ca 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ddl h ALA 53 Cb 0.72 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3ddl h ALA 53 CO 0.06 0.51 0.31 1.25 0.00 0.00 0.00 179.25 181.38 3ddl h LEU 54 N 0.86 0.68 -0.20 0.00 5.85 -0.92 -0.87 115.31 120.71 3ddl h LEU 54 Ca 0.18 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3ddl h LEU 54 Cb 0.38 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3ddl h LEU 54 CO 0.01 0.57 -0.11 0.58 -0.34 0.00 0.00 178.44 179.14 3ddl h VAL 55 N 0.75 0.65 0.00 1.05 2.07 -1.02 -1.20 116.25 118.55 3ddl h VAL 55 Ca 0.20 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 3ddl h VAL 55 Cb 0.03 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3ddl h VAL 55 CO -0.03 0.00 -0.29 -0.37 0.02 0.00 0.00 177.57 176.89 3ddl h VAL 56 N -0.10 0.55 0.14 2.57 -1.51 -1.34 -1.69 116.25 114.87 3ddl h VAL 56 Ca 0.11 -1.58 -0.01 0.00 -1.23 0.00 0.00 66.70 64.00 3ddl h VAL 56 Cb 0.27 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 3ddl h VAL 56 CO -0.27 0.29 -0.07 0.15 -1.23 0.00 0.00 177.57 176.44 3ddl h PHE 57 N 0.00 -0.17 -0.95 5.19 3.57 -0.88 0.29 116.94 123.98 3ddl h PHE 57 Ca -0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3ddl h PHE 57 Cb 1.09 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.83 3ddl h PHE 57 CO 0.00 0.16 0.62 0.82 -2.23 0.00 0.00 178.31 177.68 3ddl h ILE 58 N -0.53 1.07 -0.06 1.41 2.04 -1.15 -0.29 117.51 120.01 3ddl h ILE 58 Ca -0.02 -0.38 -0.20 0.00 1.00 0.00 0.00 64.86 65.26 3ddl h ILE 58 Cb 0.41 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3ddl h ILE 58 CO 0.03 0.20 -0.80 0.00 0.00 0.00 0.00 178.15 177.58 3ddl h ALA 59 N 1.49 0.49 0.22 1.87 0.00 -1.25 -1.96 119.26 120.12 3ddl h ALA 59 Ca 0.41 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3ddl h ALA 59 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ddl h ALA 59 CO -0.16 0.77 -0.12 0.78 0.00 0.00 0.00 179.25 180.53 3ddl h GLY 60 N 1.20 -0.32 0.62 0.00 0.00 0.35 -0.84 103.07 104.08 3ddl h GLY 60 Ca -0.05 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.45 3ddl h GLY 60 CO 0.14 -0.12 0.04 -1.82 0.00 0.00 0.00 176.54 174.78 3ddl h TYR 61 N -0.31 0.07 -0.68 5.60 3.20 -1.08 -1.05 116.97 122.71 3ddl h TYR 61 Ca -0.03 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3ddl h TYR 61 Cb 0.25 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3ddl h TYR 61 CO -0.07 0.00 0.24 0.45 -1.64 0.00 0.00 178.16 177.14 3ddl h HIS 62 N 0.15 1.05 0.00 -3.82 3.86 -1.25 -1.78 115.15 113.35 3ddl h HIS 62 Ca 0.14 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 3ddl h HIS 62 Cb 0.16 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 3ddl h HIS 62 CO -0.18 0.82 -0.23 1.88 0.86 0.00 0.00 177.93 181.08 3ddl h TYR 63 N 1.00 0.00 -0.40 2.45 -1.99 -0.77 0.84 116.97 118.10 3ddl h TYR 63 Ca 0.23 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.89 3ddl h TYR 63 Cb 0.24 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.96 3ddl h TYR 63 CO 0.02 0.23 0.01 0.35 -0.00 0.00 0.00 178.16 178.77 3ddl h PHE 64 N 0.00 0.76 -0.56 4.88 3.57 -0.37 0.32 116.94 125.54 3ddl h PHE 64 Ca -0.00 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.31 3ddl h PHE 64 Cb 0.69 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3ddl h PHE 64 CO 0.00 0.77 0.10 0.00 -2.23 0.00 0.00 178.31 176.95 3ddl h ARG 65 N 0.53 0.92 -0.51 1.11 2.47 -0.69 -2.29 114.38 115.93 3ddl h ARG 65 Ca 0.11 -0.24 -0.03 0.00 -1.26 0.00 0.00 59.98 58.56 3ddl h ARG 65 Cb 0.46 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 3ddl h ARG 65 CO 0.02 0.88 0.20 0.82 0.56 0.00 0.00 179.97 182.46 3ddl h ILE 66 N 0.82 1.21 -0.10 2.04 2.04 -0.66 -0.50 117.51 122.36 3ddl h ILE 66 Ca 0.17 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3ddl h ILE 66 Cb 0.40 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3ddl h ILE 66 CO 0.01 0.25 0.06 0.74 0.00 0.00 0.00 178.15 179.21 3ddl h THR 67 N 0.68 1.03 -0.01 -0.27 2.02 -0.82 -1.50 112.91 114.05 3ddl h THR 67 Ca 0.17 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.30 3ddl h THR 67 Cb 0.19 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3ddl h THR 67 CO -0.01 0.03 -0.22 0.28 0.37 0.00 0.00 175.52 175.97 3ddl h SER 68 N 0.12 -0.65 -0.71 4.18 0.02 -1.23 -1.89 113.55 113.39 3ddl h SER 68 Ca 0.04 0.09 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 3ddl h SER 68 Cb -0.00 0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 3ddl h SER 68 CO -0.01 -0.29 0.47 -1.28 -1.14 0.00 0.00 176.83 174.58 3ddl h SER 69 N -0.35 0.70 -0.32 3.07 0.87 -0.94 -1.00 113.55 115.57 3ddl h SER 69 Ca 0.06 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 3ddl h SER 69 Cb 0.43 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 3ddl h SER 69 CO -0.21 0.47 0.03 -0.25 -0.53 0.00 0.00 176.83 176.35 3ddl h TRP 70 N 0.80 0.58 -0.41 2.24 2.91 -0.71 -2.47 115.95 118.90 3ddl h TRP 70 Ca 0.29 -0.09 -0.03 0.00 1.13 0.00 0.00 58.89 60.19 3ddl h TRP 70 Cb 0.14 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.62 3ddl h TRP 70 CO -0.00 0.64 0.12 1.49 -1.03 0.00 0.00 178.44 179.65 3ddl h GLU 71 N 0.36 0.64 0.00 2.65 4.81 -0.87 -2.68 114.58 119.49 3ddl h GLU 71 Ca 0.10 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3ddl h GLU 71 Cb 0.38 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3ddl h GLU 71 CO 0.01 0.64 0.00 0.00 -0.73 0.00 0.00 179.01 178.93 3ddl h ALA 72 N 0.97 1.00 -0.01 2.92 0.00 -1.17 -2.89 119.26 120.08 3ddl h ALA 72 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ddl h ALA 72 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ddl h ALA 72 CO -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.18 3ddl n ALA 73 N -1.83 2.72 -2.57 0.00 0.00 -0.94 -4.48 120.51 113.41 3ddl n ALA 73 Ca 0.02 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 3ddl n ALA 73 Cb 0.25 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.24 0.25 -0.01 0.00 2.02 -1.09 -1.56 117.35 114.72 3ddl s TYR 74 Ca 0.35 -0.63 -0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3ddl s TYR 74 Cb 0.21 -0.17 0.01 0.00 -0.40 0.00 0.00 41.96 41.60 3ddl s TYR 74 CO 0.42 -0.40 0.02 0.00 -1.57 0.00 0.00 175.55 174.01 3ddl s ALA 75 N -3.11 -0.02 -0.26 3.71 0.00 -0.31 -4.80 121.76 116.98 3ddl s ALA 75 Ca -0.01 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 3ddl s ALA 75 Cb 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3ddl s ALA 75 CO -0.07 -0.03 1.12 -1.17 0.00 0.00 0.00 175.76 175.61 3ddl s LEU 76 N 0.25 4.03 -0.19 0.00 2.96 -1.26 -0.76 118.68 123.71 3ddl s LEU 76 Ca -0.02 1.29 -0.04 0.00 -0.22 0.00 0.00 54.13 55.14 3ddl s LEU 76 Cb -0.03 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.18 3ddl s LEU 76 CO -0.01 -0.81 0.08 -1.10 -1.32 0.00 0.00 176.35 173.19 3ddl s GLN 77 N 3.54 0.25 -1.11 1.98 -0.21 0.10 -4.90 119.66 119.31 3ddl s GLN 77 Ca 0.48 -0.23 -0.02 0.00 0.02 0.00 0.00 55.36 55.61 3ddl s GLN 77 Cb -0.15 -1.86 -0.02 0.00 1.00 0.00 0.00 33.01 31.97 3ddl s GLN 77 CO 0.13 -0.70 0.94 0.09 -2.12 0.00 0.00 175.29 173.63 3ddl n ASN 78 N 5.20 -3.29 -1.20 5.90 3.02 -1.26 -2.80 115.26 120.84 3ddl n ASN 78 Ca -0.07 -0.62 -0.16 0.00 -0.03 0.00 0.00 54.58 53.70 3ddl n ASN 78 Cb 0.48 -4.97 -0.07 0.00 -0.61 0.00 0.00 39.78 34.61 3ddl n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ddl n GLY 79 N -1.16 1.57 2.96 7.41 0.00 -1.26 -4.98 105.19 109.73 3ddl n GLY 79 Ca -0.22 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.30 0.19 -0.48 1.61 -1.94 -1.12 -4.34 119.30 109.92 3ddl s MET 80 Ca 0.00 -0.24 -0.19 0.00 -1.71 0.00 0.00 55.69 53.56 3ddl s MET 80 Cb 0.00 0.08 0.05 0.00 2.01 0.00 0.00 34.83 36.96 3ddl s MET 80 CO 0.00 -0.03 0.59 0.71 -0.01 0.00 0.00 175.02 176.28 3ddl s TYR 81 N -0.67 3.08 -0.02 -0.03 1.51 0.13 0.02 117.35 121.36 3ddl s TYR 81 Ca -0.07 -0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 55.43 3ddl s TYR 81 Cb -0.05 -3.40 -0.05 0.00 -0.11 0.00 0.00 41.96 38.36 3ddl s TYR 81 CO -0.00 -0.95 0.29 -0.65 -1.11 0.00 0.00 175.55 173.13 3ddl s GLN 82 N 2.55 3.66 0.28 -0.62 -1.52 0.06 -0.47 119.66 123.60 3ddl s GLN 82 Ca 0.15 0.08 -0.30 0.00 -1.95 0.00 0.00 55.36 53.35 3ddl s GLN 82 Cb -0.18 -3.14 -0.13 0.00 -0.22 0.00 0.00 33.01 29.33 3ddl s GLN 82 CO 0.13 0.69 1.30 -2.30 -0.25 0.00 0.00 175.29 174.87 3ddl n PRO 83 N 1.55 1.94 0.00 2.91 -0.02 -1.26 -1.16 135.00 138.97 3ddl n PRO 83 Ca -0.14 0.69 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 3ddl n PRO 83 Cb 0.53 -2.27 0.16 0.00 -0.02 0.00 0.00 33.50 31.90 3ddl n PRO 83 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ddl n THR 84 N 1.12 0.00 0.00 3.45 -1.04 -0.60 -4.80 114.28 112.41 3ddl n THR 84 Ca 0.09 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3ddl n THR 84 Cb 0.33 0.66 0.00 0.00 -1.82 0.00 0.00 70.33 69.49 3ddl n THR 84 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ddl n GLY 85 N 1.44 2.93 3.76 3.41 0.00 -1.26 -5.02 105.19 110.43 3ddl n GLY 85 Ca 0.08 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 4.24 0.32 1.61 0.41 -1.26 -4.96 118.70 119.05 3ddl s GLU 86 Ca 0.00 2.36 -0.27 0.00 -0.41 0.00 0.00 54.97 56.65 3ddl s GLU 86 Cb 0.00 -3.07 -0.09 0.00 -1.78 0.00 0.00 34.13 29.19 3ddl s GLU 86 CO 0.00 -0.42 0.99 -0.51 -0.49 0.00 0.00 175.26 174.84 3ddl s LEU 87 N -0.92 4.39 -0.32 1.80 1.43 -1.26 -4.46 118.68 119.34 3ddl s LEU 87 Ca 0.57 1.98 -0.17 0.00 -1.03 0.00 0.00 54.13 55.47 3ddl s LEU 87 Cb -0.43 -3.91 -0.02 0.00 0.03 0.00 0.00 46.19 41.86 3ddl s LEU 87 CO 0.49 -0.13 0.48 0.12 0.23 0.00 0.00 176.35 177.53 3ddl s PHE 88 N -1.47 3.21 -0.36 0.29 5.36 -1.26 -4.82 117.98 118.94 3ddl s PHE 88 Ca 0.49 0.30 -0.26 0.00 -0.96 0.00 0.00 56.93 56.50 3ddl s PHE 88 Cb -0.23 -2.80 0.01 0.00 -0.34 0.00 0.00 43.02 39.67 3ddl s PHE 88 CO 0.29 -0.42 0.93 1.21 -1.46 0.00 0.00 175.22 175.77 3ddl s ASN 89 N 1.69 6.70 0.07 6.13 3.84 -1.26 -4.89 114.94 127.22 3ddl s ASN 89 Ca 0.18 0.62 0.25 0.00 0.21 0.00 0.00 52.86 54.12 3ddl s ASN 89 Cb -0.16 -2.47 0.44 0.00 -0.55 0.00 0.00 41.25 38.52 3ddl s ASN 89 CO 0.12 -0.85 1.38 0.47 -2.79 0.00 0.00 177.10 175.43 3ddl n ASP 90 N 6.75 0.60 0.22 -4.21 8.00 -1.26 -4.11 116.55 122.54 3ddl n ASP 90 Ca 0.07 0.02 0.06 0.00 0.71 0.00 0.00 54.79 55.65 3ddl n ASP 90 Cb 0.48 0.16 0.50 0.00 -0.02 0.00 0.00 41.12 42.24 3ddl n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ddl h ALA 91 N 2.69 1.58 -0.81 2.24 0.00 -2.00 -3.02 119.26 119.94 3ddl h ALA 91 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ddl h ALA 91 Cb 0.65 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 3ddl h ALA 91 CO 0.00 0.27 0.46 1.88 0.00 0.00 0.00 179.25 181.85 3ddl h TYR 92 N 0.00 0.82 -0.43 0.00 0.05 -1.95 0.50 116.97 115.96 3ddl h TYR 92 Ca -0.00 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 3ddl h TYR 92 Cb 0.39 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 3ddl h TYR 92 CO 0.00 0.33 -0.28 -0.09 -1.05 0.00 0.00 178.16 177.07 3ddl h ARG 93 N 0.76 0.95 -0.46 4.88 2.43 -1.83 -0.31 114.38 120.82 3ddl h ARG 93 Ca 0.39 -0.45 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3ddl h ARG 93 Cb 0.36 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3ddl h ARG 93 CO -0.25 1.11 0.22 -0.92 -1.51 0.00 0.00 179.97 178.62 3ddl h TYR 94 N 0.79 0.66 -0.20 2.20 3.20 -1.36 -0.50 116.97 121.76 3ddl h TYR 94 Ca 0.09 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3ddl h TYR 94 Cb 0.87 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3ddl h TYR 94 CO 0.06 0.53 -0.17 0.28 -1.64 0.00 0.00 178.16 177.22 3ddl h VAL 95 N 0.60 1.22 -0.60 1.81 2.07 -0.81 -2.18 116.25 118.35 3ddl h VAL 95 Ca 0.16 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 3ddl h VAL 95 Cb 0.12 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3ddl h VAL 95 CO -0.02 0.31 0.12 -0.78 0.02 0.00 0.00 177.57 177.23 3ddl h ASP 96 N 0.31 0.94 -0.29 0.57 3.58 -0.45 -2.84 116.42 118.24 3ddl h ASP 96 Ca 0.06 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 3ddl h ASP 96 Cb 0.49 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 3ddl h ASP 96 CO 0.03 0.94 0.15 -0.50 -2.88 0.00 0.00 179.24 176.99 3ddl h TRP 97 N 0.89 0.40 -0.75 0.28 6.55 -0.54 -0.82 115.95 121.96 3ddl h TRP 97 Ca 0.19 -0.01 0.11 0.00 0.95 0.00 0.00 58.89 60.12 3ddl h TRP 97 Cb 0.39 -0.13 -0.08 0.00 -0.86 0.00 0.00 29.16 28.48 3ddl h TRP 97 CO 0.03 0.33 0.37 1.25 -1.05 0.00 0.00 178.44 179.38 3ddl h LEU 98 N 0.34 0.47 0.13 -4.49 5.85 -1.31 -1.22 115.31 115.09 3ddl h LEU 98 Ca 0.10 0.07 -0.28 0.00 0.84 0.00 0.00 57.88 58.61 3ddl h LEU 98 Cb 0.07 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.10 3ddl h LEU 98 CO -0.02 0.25 -1.25 -0.07 -0.34 0.00 0.00 178.44 177.01 3ddl h LEU 99 N 0.61 0.47 0.05 2.25 3.38 -1.40 -3.40 115.31 117.27 3ddl h LEU 99 Ca 0.38 -0.50 -0.32 0.00 0.09 0.00 0.00 57.88 57.53 3ddl h LEU 99 Cb 0.44 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3ddl h LEU 99 CO -0.29 1.38 -1.81 0.71 0.09 0.00 0.00 178.44 178.52 3ddl h THR 100 N 0.09 0.78 -0.80 0.22 1.35 -0.94 -3.39 112.91 110.22 3ddl h THR 100 Ca -0.14 -2.57 0.05 0.00 -0.55 0.00 0.00 66.41 63.19 3ddl h THR 100 Cb 1.98 2.47 -0.05 0.00 -1.73 0.00 0.00 68.15 70.82 3ddl h THR 100 CO 0.21 0.66 0.52 0.58 -0.25 0.00 0.00 175.52 177.25 3ddl h VAL 101 N 0.03 1.09 -0.62 6.82 2.07 -1.44 -0.92 116.25 123.28 3ddl h VAL 101 Ca -0.34 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 3ddl h VAL 101 Cb 2.02 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 3ddl h VAL 101 CO 0.09 0.17 0.02 -0.65 0.02 0.00 0.00 177.57 177.21 3ddl h PRO 102 N 0.93 1.08 -0.36 1.57 0.11 -1.78 -2.84 132.00 130.71 3ddl h PRO 102 Ca 0.33 -0.34 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3ddl h PRO 102 Cb 0.13 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3ddl h PRO 102 CO -0.11 1.05 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.61 3ddl h LEU 103 N 0.99 0.57 -1.04 2.35 3.38 -1.60 -1.77 115.31 118.20 3ddl h LEU 103 Ca 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3ddl h LEU 103 Cb 0.55 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3ddl h LEU 103 CO 0.03 0.68 0.40 -0.07 0.09 0.00 0.00 178.44 179.57 3ddl h LEU 104 N 0.56 0.97 -0.27 1.67 3.38 -0.98 -1.26 115.31 119.37 3ddl h LEU 104 Ca 0.11 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 3ddl h LEU 104 Cb 0.44 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3ddl h LEU 104 CO 0.02 0.79 -0.45 0.71 0.09 0.00 0.00 178.44 179.60 3ddl h THR 105 N 1.08 1.29 -0.94 0.22 1.35 -1.16 -3.12 112.91 111.63 3ddl h THR 105 Ca 0.27 -1.65 0.01 0.00 -0.55 0.00 0.00 66.41 64.50 3ddl h THR 105 Cb 0.06 1.68 -0.05 0.00 -1.73 0.00 0.00 68.15 68.11 3ddl h THR 105 CO -0.04 0.53 0.62 0.58 -0.25 0.00 0.00 175.52 176.96 3ddl h VAL 106 N 0.53 1.23 -0.36 6.82 2.07 -1.01 -1.50 116.25 124.03 3ddl h VAL 106 Ca 0.02 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.18 3ddl h VAL 106 Cb 1.05 -0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 3ddl h VAL 106 CO 0.10 0.23 -0.05 -0.08 0.02 0.00 0.00 177.57 177.79 3ddl h GLU 107 N 1.26 0.04 -0.22 1.57 4.81 -1.23 -0.70 114.58 120.11 3ddl h GLU 107 Ca 0.35 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 3ddl h GLU 107 Cb -0.12 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3ddl h GLU 107 CO -0.08 0.03 -0.06 1.25 -0.73 0.00 0.00 179.01 179.41 3ddl h LEU 108 N 0.04 0.43 -0.76 1.64 5.85 -1.43 -3.05 115.31 118.03 3ddl h LEU 108 Ca 0.17 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 58.61 3ddl h LEU 108 Cb 0.26 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 3ddl h LEU 108 CO -0.34 0.70 0.41 0.58 -0.34 0.00 0.00 178.44 179.45 3ddl h VAL 109 N 0.15 0.90 0.00 1.05 2.07 -0.84 -1.89 116.25 117.69 3ddl h VAL 109 Ca 0.05 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3ddl h VAL 109 Cb 0.52 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3ddl h VAL 109 CO 0.02 0.13 0.00 -0.07 0.02 0.00 0.00 177.57 177.67 3ddl h LEU 110 N 0.71 0.00 -1.96 2.57 3.38 -1.03 -2.27 115.31 116.71 3ddl h LEU 110 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 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 -0.24 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.62 3ddl n VAL 111 N -2.40 0.38 0.26 1.22 0.24 -0.76 -4.66 118.33 112.61 3ddl n VAL 111 Ca 0.00 -0.69 0.12 0.00 -2.04 0.00 0.00 64.34 61.73 3ddl n VAL 111 Cb 0.15 0.93 0.70 0.00 -1.47 0.00 0.00 33.84 34.15 3ddl n VAL 111 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 3ddl h MET 112 N 1.80 0.00 -0.45 7.34 2.86 -0.81 -3.47 114.93 122.20 3ddl h MET 112 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ddl h MET 112 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3ddl h MET 112 CO 0.00 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.51 3ddl n GLY 113 N -0.74 0.80 3.90 8.32 0.00 -1.26 -4.72 105.19 111.48 3ddl n GLY 113 Ca -0.02 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.45 3.90 0.36 0.99 1.43 -1.26 -5.03 118.68 118.62 3ddl s LEU 114 Ca 0.00 0.88 -0.27 0.00 -1.03 0.00 0.00 54.13 53.71 3ddl s LEU 114 Cb 0.00 -3.75 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 3ddl s LEU 114 CO 0.00 -0.34 1.27 -2.16 0.23 0.00 0.00 176.35 175.35 3ddl s PRO 115 N -3.92 4.22 0.02 1.29 0.04 -1.26 -4.79 135.00 130.59 3ddl s PRO 115 Ca 0.47 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.63 3ddl s PRO 115 Cb -0.10 -2.93 0.04 0.00 0.04 0.00 0.00 34.50 31.55 3ddl s PRO 115 CO 0.33 -0.27 0.83 0.36 0.04 0.00 0.00 177.00 178.30 3ddl n LYS 116 N 0.52 0.00 0.00 4.56 2.85 -1.26 0.14 118.16 124.98 3ddl n LYS 116 Ca 0.02 0.32 0.12 0.00 -1.05 0.00 0.00 58.31 57.72 3ddl n LYS 116 Cb 0.43 -1.72 0.27 0.00 -0.65 0.00 0.00 35.03 33.36 3ddl n LYS 116 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3ddl n ASN 117 N -1.34 1.35 -0.00 -5.58 0.23 -1.26 -3.97 115.26 104.68 3ddl n ASN 117 Ca -0.00 -1.10 0.04 0.00 -0.53 0.00 0.00 54.58 52.99 3ddl n ASN 117 Cb 0.20 0.23 -0.06 0.00 -2.08 0.00 0.00 39.78 38.07 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 -0.43 2.23 0.24 -3.83 1.02 0.12 -4.70 120.64 115.29 3ddl n GLU 118 Ca 0.11 -0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 57.08 3ddl n GLU 118 Cb 0.39 -1.06 -0.08 0.00 -0.02 0.00 0.00 31.44 30.67 3ddl n GLU 118 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3ddl h ARG 119 N 0.00 -0.61 -0.52 3.49 2.43 -1.65 -2.80 114.38 114.72 3ddl h ARG 119 Ca 0.00 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3ddl h ARG 119 Cb 0.31 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3ddl h ARG 119 CO 0.00 -0.31 0.22 0.78 -1.51 0.00 0.00 179.97 179.15 3ddl h GLY 120 N -0.95 0.82 1.08 2.80 0.00 -1.86 -1.79 103.07 103.17 3ddl h GLY 120 Ca -0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 3ddl h GLY 120 CO 0.11 0.41 0.47 -2.55 0.00 0.00 0.00 176.54 174.98 3ddl h PRO 121 N 0.69 1.20 -0.23 4.80 0.11 -1.84 -1.15 132.00 135.57 3ddl h PRO 121 Ca 0.17 -0.14 -0.15 0.00 0.11 0.00 0.00 66.00 66.00 3ddl h PRO 121 Cb 0.18 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3ddl h PRO 121 CO -0.02 0.88 -0.43 1.25 -0.21 0.00 0.00 178.00 179.47 3ddl h LEU 122 N 1.21 0.78 -0.90 2.35 5.85 -1.39 -1.66 115.31 121.55 3ddl h LEU 122 Ca 0.30 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3ddl h LEU 122 Cb 0.02 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3ddl h LEU 122 CO -0.05 1.17 0.57 0.00 -0.34 0.00 0.00 178.44 179.79 3ddl h ALA 123 N 0.63 1.14 -0.25 1.25 0.00 -1.18 -1.67 119.26 119.18 3ddl h ALA 123 Ca 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ddl h ALA 123 Cb 1.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ddl h ALA 123 CO 0.10 0.57 0.05 0.00 0.00 0.00 0.00 179.25 179.97 3ddl h ALA 124 N 1.31 0.33 -0.12 0.00 0.00 -1.13 0.23 119.26 119.88 3ddl h ALA 124 Ca 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3ddl h ALA 124 Cb -0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ddl h ALA 124 CO -0.07 -0.01 0.02 -0.22 0.00 0.00 0.00 179.25 178.98 3ddl h LYS 125 N 0.22 0.19 -0.43 0.00 3.64 -1.06 -2.17 116.57 116.96 3ddl h LYS 125 Ca 0.08 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3ddl h LYS 125 Cb 0.30 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3ddl h LYS 125 CO 0.00 0.38 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.28 3ddl h LEU 126 N -0.02 0.88 -0.46 5.20 3.38 -1.33 -1.45 115.31 121.50 3ddl h LEU 126 Ca 0.04 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 3ddl h LEU 126 Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3ddl h LEU 126 CO 0.00 1.06 0.18 1.23 0.09 0.00 0.00 178.44 181.01 3ddl h GLY 127 N 0.93 0.74 2.00 0.83 0.00 -0.94 -1.35 103.07 105.28 3ddl h GLY 127 Ca 0.10 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 3ddl h GLY 127 CO 0.06 0.38 -0.61 0.74 0.00 0.00 0.00 176.54 177.11 3ddl h PHE 128 N 0.61 0.00 -0.46 5.60 -1.00 -1.29 -2.16 116.94 118.24 3ddl h PHE 128 Ca 0.15 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.83 3ddl h PHE 128 Cb 0.19 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 3ddl h PHE 128 CO 0.00 0.61 -0.13 -0.07 -1.61 0.00 0.00 178.31 177.11 3ddl h LEU 129 N 0.00 0.91 -0.66 1.54 3.38 -1.15 -1.00 115.31 118.32 3ddl h LEU 129 Ca -0.01 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 3ddl h LEU 129 Cb 1.23 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 3ddl h LEU 129 CO 0.08 1.07 0.13 0.00 0.09 0.00 0.00 178.44 179.81 3ddl h ALA 130 N 0.87 0.88 -0.39 1.53 0.00 -1.13 -0.72 119.26 120.30 3ddl h ALA 130 Ca 0.11 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3ddl h ALA 130 Cb 0.68 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ddl h ALA 130 CO 0.05 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.96 3ddl h ALA 131 N 1.05 0.52 -0.37 0.00 0.00 -1.30 -2.75 119.26 116.42 3ddl h ALA 131 Ca 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3ddl h ALA 131 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ddl h ALA 131 CO 0.01 0.25 0.05 1.25 0.00 0.00 0.00 179.25 180.81 3ddl h LEU 132 N 0.50 0.52 -0.63 0.00 5.85 -0.91 -0.77 115.31 119.87 3ddl h LEU 132 Ca 0.12 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3ddl h LEU 132 Cb 0.40 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3ddl h LEU 132 CO 0.01 0.56 0.40 -0.03 -0.34 0.00 0.00 178.44 179.05 3ddl h MET 133 N 0.55 0.79 -0.26 1.25 4.05 -0.94 0.80 114.93 121.17 3ddl h MET 133 Ca 0.12 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.35 3ddl h MET 133 Cb 0.28 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 3ddl h MET 133 CO 0.00 0.52 -0.41 0.82 0.23 0.00 0.00 176.91 178.08 3ddl h ILE 134 N 0.82 1.30 -0.23 1.77 1.08 -1.15 -2.09 117.51 119.01 3ddl h ILE 134 Ca 0.24 -1.61 0.01 0.00 -0.39 0.00 0.00 64.86 63.12 3ddl h ILE 134 Cb -0.05 1.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 3ddl h ILE 134 CO -0.07 0.51 0.12 0.58 -0.69 0.00 0.00 178.15 178.60 3ddl h VAL 135 N 0.47 1.00 0.00 1.67 2.07 -0.65 -2.31 116.25 118.50 3ddl h VAL 135 Ca 0.02 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3ddl h VAL 135 Cb 1.01 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3ddl h VAL 135 CO 0.09 0.05 -0.16 -0.07 0.02 0.00 0.00 177.57 177.50 3ddl h LEU 136 N 0.25 0.00 -0.74 2.57 3.38 -0.83 -2.32 115.31 117.61 3ddl h LEU 136 Ca 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3ddl h LEU 136 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ddl h LEU 136 CO -0.06 0.16 -0.48 1.23 0.09 0.00 0.00 178.44 179.37 3ddl h GLY 137 N 0.69 0.00 -0.45 0.83 0.00 -0.82 -3.38 103.07 99.94 3ddl h GLY 137 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3ddl h GLY 137 CO 0.02 0.00 -0.35 -1.82 0.00 0.00 0.00 176.54 174.39 3ddl h TYR 138 N 0.00 -1.11 -0.89 5.60 3.20 -1.12 -0.87 116.97 121.77 3ddl h TYR 138 Ca -0.00 0.07 0.20 0.00 3.14 0.00 0.00 58.73 62.14 3ddl h TYR 138 Cb 1.04 0.55 -0.06 0.00 1.54 0.00 0.00 36.73 39.79 3ddl h TYR 138 CO 0.00 -0.26 0.59 -1.35 -1.64 0.00 0.00 178.16 175.50 3ddl h PRO 139 N -0.11 0.37 -0.21 1.82 0.11 -1.76 -1.26 132.00 130.97 3ddl h PRO 139 Ca 0.07 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.97 3ddl h PRO 139 Cb 0.30 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3ddl h PRO 139 CO -0.48 0.25 -0.64 0.78 -0.21 0.00 0.00 178.00 177.70 3ddl h GLY 140 N 0.38 0.83 2.00 -0.55 0.00 -1.42 -2.79 103.07 101.53 3ddl h GLY 140 Ca 0.46 -1.04 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 3ddl h GLY 140 CO -0.17 0.93 -0.45 -2.09 0.00 0.00 0.00 176.54 174.77 3ddl h GLU 141 N 0.56 0.00 -0.14 4.80 4.57 -0.29 -2.65 114.58 121.43 3ddl h GLU 141 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3ddl h GLU 141 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3ddl h GLU 141 CO 0.13 0.45 0.00 1.33 -1.18 0.00 0.00 179.01 179.74 3ddl n VAL 142 N -3.74 0.16 -2.07 0.32 0.24 -0.93 -4.94 118.33 107.37 3ddl n VAL 142 Ca -0.01 -0.42 -0.40 0.00 -2.04 0.00 0.00 64.34 61.48 3ddl n VAL 142 Cb 0.51 0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 33.60 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 -1.76 6.44 -0.01 -1.34 0.15 -1.00 -4.95 113.70 111.23 3ddl s SER 143 Ca 0.34 2.67 -0.19 0.00 0.70 0.00 0.00 55.95 59.47 3ddl s SER 143 Cb 0.20 -2.64 -0.29 0.00 -1.71 0.00 0.00 66.02 61.57 3ddl s SER 143 CO 0.30 -0.76 1.00 -0.33 1.20 0.00 0.00 173.24 174.65 3ddl h GLU 144 N 2.88 0.42 -5.56 5.44 4.39 -1.91 -3.44 114.58 116.80 3ddl h GLU 144 Ca -0.49 -0.60 -0.60 0.00 0.34 0.00 0.00 59.36 58.01 3ddl h GLU 144 Cb 1.24 0.20 -0.10 0.00 -0.10 0.00 0.00 28.75 29.99 3ddl h GLU 144 CO 0.63 1.25 -0.02 1.21 -1.16 0.00 0.00 179.01 180.93 3ddl s ASN 145 N -7.06 6.58 -0.48 1.42 2.47 -1.26 -4.98 114.94 111.63 3ddl s ASN 145 Ca -0.12 0.70 -0.02 0.00 0.42 0.00 0.00 52.86 53.84 3ddl s ASN 145 Cb 0.03 -2.30 0.28 0.00 -1.45 0.00 0.00 41.25 37.81 3ddl s ASN 145 CO 0.86 -0.19 2.11 0.00 -3.72 0.00 0.00 177.10 176.16 3ddl n ALA 146 N 4.80 5.77 -2.46 1.71 0.00 -1.26 -3.96 120.51 125.11 3ddl n ALA 146 Ca -0.04 -2.58 -0.38 0.00 0.00 0.00 0.00 53.44 50.44 3ddl n ALA 146 Cb 0.50 -1.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.62 3.55 0.17 0.00 0.00 -1.26 -3.91 121.76 117.69 3ddl s ALA 147 Ca 0.47 -0.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.25 3ddl s ALA 147 Cb 0.36 -2.64 0.06 0.00 0.00 0.00 0.00 23.12 20.89 3ddl s ALA 147 CO -0.06 0.26 1.83 1.25 0.00 0.00 0.00 175.76 179.05 3ddl h LEU 148 N 5.32 0.58 -6.73 0.00 7.12 -1.94 -2.68 115.31 116.97 3ddl h LEU 148 Ca -0.47 -0.01 -0.78 0.00 0.13 0.00 0.00 57.88 56.75 3ddl h LEU 148 Cb 1.20 -0.14 -0.21 0.00 -0.53 0.00 0.00 40.66 40.98 3ddl h LEU 148 CO 0.67 0.42 1.42 0.49 -0.13 0.00 0.00 178.44 181.31 3ddl n PHE 149 N -4.74 2.79 -3.43 1.25 3.01 -1.26 -3.39 117.46 111.69 3ddl n PHE 149 Ca 0.03 -2.75 0.00 0.00 1.01 0.00 0.00 57.45 55.73 3ddl n PHE 149 Cb 0.02 -1.65 0.00 0.00 -0.01 0.00 0.00 39.48 37.84 3ddl n PHE 149 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ddl n GLY 150 N 2.21 0.91 0.23 1.37 0.00 -1.08 -5.02 105.19 103.81 3ddl n GLY 150 Ca 0.33 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 0.65 0.51 -0.42 2.61 2.02 -1.82 -1.07 112.91 115.39 3ddl h THR 151 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3ddl h THR 151 Cb 0.00 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3ddl h THR 151 CO 0.00 0.02 0.20 -0.09 0.37 0.00 0.00 175.52 176.03 3ddl h ARG 152 N 0.13 0.60 -0.12 6.66 2.43 -1.69 -2.05 114.38 120.34 3ddl h ARG 152 Ca 0.32 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 3ddl h ARG 152 Cb 0.52 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3ddl h ARG 152 CO -0.51 0.52 -0.45 0.78 -1.51 0.00 0.00 179.97 178.80 3ddl h GLY 153 N 0.54 0.32 0.81 2.80 0.00 -1.17 -1.45 103.07 104.92 3ddl h GLY 153 Ca 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3ddl h GLY 153 CO -0.02 0.30 -0.16 -2.00 0.00 0.00 0.00 176.54 174.66 3ddl h LEU 154 N 0.24 -0.38 -1.02 3.11 5.85 -0.92 -1.37 115.31 120.82 3ddl h LEU 154 Ca 0.02 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 3ddl h LEU 154 Cb 0.89 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3ddl h LEU 154 CO 0.07 -0.11 -0.49 -0.50 -0.34 0.00 0.00 178.44 177.07 3ddl h TRP 155 N -0.65 0.00 -0.57 1.25 4.06 -1.43 -1.15 115.95 117.46 3ddl h TRP 155 Ca -0.05 -0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.83 3ddl h TRP 155 Cb 0.46 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.60 3ddl h TRP 155 CO -0.00 0.49 0.06 0.78 -3.56 0.00 0.00 178.44 176.21 3ddl h GLY 156 N 1.47 1.02 0.67 1.49 0.00 -1.20 0.46 103.07 106.98 3ddl h GLY 156 Ca -0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 3ddl h GLY 156 CO 0.06 0.62 -0.04 -2.75 0.00 0.00 0.00 176.54 174.43 3ddl h PHE 157 N 0.88 -0.11 -0.73 5.60 3.57 -0.90 -1.09 116.94 124.16 3ddl h PHE 157 Ca 0.17 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.72 3ddl h PHE 157 Cb 0.44 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 3ddl h PHE 157 CO 0.03 0.22 0.44 -0.07 -2.23 0.00 0.00 178.31 176.70 3ddl h LEU 158 N -0.46 0.70 -1.21 0.59 3.38 -1.03 -2.34 115.31 114.94 3ddl h LEU 158 Ca -0.01 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3ddl h LEU 158 Cb 0.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3ddl h LEU 158 CO 0.02 0.47 -0.18 -1.28 0.09 0.00 0.00 178.44 177.56 3ddl h SER 159 N 0.83 0.32 0.26 -0.43 0.87 -0.86 -2.48 113.55 112.06 3ddl h SER 159 Ca 0.31 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 3ddl h SER 159 Cb 0.11 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3ddl h SER 159 CO -0.15 0.52 -0.12 0.74 -0.53 0.00 0.00 176.83 177.30 3ddl h THR 160 N 0.30 0.70 0.53 2.23 2.02 -0.64 -3.12 112.91 114.94 3ddl h THR 160 Ca 0.05 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3ddl h THR 160 Cb 0.50 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3ddl h THR 160 CO 0.03 0.11 -0.45 0.40 0.37 0.00 0.00 175.52 175.98 3ddl h ILE 161 N 0.00 0.10 0.00 3.11 2.04 -1.31 -0.41 117.51 121.04 3ddl h ILE 161 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3ddl h ILE 161 Cb 0.28 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3ddl h ILE 161 CO 0.02 0.00 -0.14 1.55 0.00 0.00 0.00 178.15 179.58 3ddl h PRO 162 N -0.97 0.00 0.18 2.37 0.13 -1.71 -1.38 132.00 130.61 3ddl h PRO 162 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3ddl h PRO 162 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3ddl h PRO 162 CO -0.02 0.14 -0.08 0.35 -0.23 0.00 0.00 178.00 178.15 3ddl h PHE 163 N 0.00 -0.22 -0.12 1.56 3.57 -1.40 -1.24 116.94 119.09 3ddl h PHE 163 Ca -0.00 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 3ddl h PHE 163 Cb 0.31 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3ddl h PHE 163 CO 0.00 0.12 -0.30 -0.39 -2.23 0.00 0.00 178.31 175.51 3ddl h VAL 164 N -0.58 1.26 -0.48 1.41 -1.51 -0.88 -1.02 116.25 114.45 3ddl h VAL 164 Ca -0.02 -1.23 0.02 0.00 -1.23 0.00 0.00 66.70 64.24 3ddl h VAL 164 Cb 0.44 1.50 -0.03 0.00 -2.13 0.00 0.00 31.29 31.07 3ddl h VAL 164 CO 0.04 0.37 0.29 -0.25 -1.23 0.00 0.00 177.57 176.79 3ddl h TRP 165 N 0.20 0.54 -0.11 5.19 2.91 -1.20 0.70 115.95 124.18 3ddl h TRP 165 Ca 0.03 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.06 3ddl h TRP 165 Cb 0.64 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.11 3ddl h TRP 165 CO 0.01 0.32 0.03 0.82 -1.03 0.00 0.00 178.44 178.59 3ddl h ILE 166 N 0.58 1.18 -0.92 2.65 2.04 -0.51 -2.06 117.51 120.47 3ddl h ILE 166 Ca 0.19 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3ddl h ILE 166 Cb -0.00 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3ddl h ILE 166 CO -0.08 0.16 0.59 -0.07 0.00 0.00 0.00 178.15 178.75 3ddl h LEU 167 N -0.01 1.07 -0.30 1.44 3.38 -0.77 -1.39 115.31 118.72 3ddl h LEU 167 Ca 0.03 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3ddl h LEU 167 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3ddl h LEU 167 CO -0.00 0.79 0.15 0.22 0.09 0.00 0.00 178.44 179.69 3ddl h TYR 168 N 1.25 0.28 -0.44 1.13 3.20 0.55 -0.84 116.97 122.11 3ddl h TYR 168 Ca 0.33 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.18 3ddl h TYR 168 Cb -0.12 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3ddl h TYR 168 CO -0.00 0.16 0.12 0.82 -1.64 0.00 0.00 178.16 177.61 3ddl h ILE 169 N 0.32 1.23 -0.53 1.81 2.04 -0.96 0.59 117.51 122.01 3ddl h ILE 169 Ca 0.12 -0.78 -0.10 0.00 1.00 0.00 0.00 64.86 65.10 3ddl h ILE 169 Cb 0.03 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3ddl h ILE 169 CO -0.08 0.28 -0.07 -0.07 0.00 0.00 0.00 178.15 178.21 3ddl h LEU 170 N 0.57 0.95 0.00 1.44 3.38 -1.06 -1.95 115.31 118.64 3ddl h LEU 170 Ca 0.14 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ddl h LEU 170 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ddl h LEU 170 CO -0.00 1.04 -1.20 0.49 0.09 0.00 0.00 178.44 178.86 3ddl n PHE 171 N -4.16 0.76 -0.35 1.13 3.01 -0.34 -4.48 117.46 113.03 3ddl n PHE 171 Ca 0.02 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.70 3ddl n PHE 171 Cb 0.37 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 3ddl n PHE 171 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3ddl n THR 172 N -2.57 0.00 0.08 4.37 -2.24 0.19 -4.82 114.28 109.30 3ddl n THR 172 Ca -0.01 -0.26 0.02 0.00 -2.27 0.00 0.00 64.05 61.53 3ddl n THR 172 Cb 0.55 1.35 0.04 0.00 -2.10 0.00 0.00 70.33 70.17 3ddl n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddl n GLN 173 N -0.14 1.08 -0.00 -0.78 1.13 -0.73 -4.69 117.38 113.24 3ddl n GLN 173 Ca 0.00 -1.20 0.00 0.00 -1.94 0.00 0.00 57.00 53.87 3ddl n GLN 173 Cb 0.09 -1.10 -0.01 0.00 0.11 0.00 0.00 30.24 29.33 3ddl n GLN 173 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3ddl n LEU 174 N 0.13 0.03 -0.19 1.08 4.77 -1.22 -4.83 117.00 116.77 3ddl n LEU 174 Ca 0.04 -0.38 0.06 0.00 -0.03 0.00 0.00 56.01 55.70 3ddl n LEU 174 Cb 0.21 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.43 3ddl n LEU 174 CO 0.03 0.01 0.40 0.61 -1.33 0.00 0.00 177.39 177.11 3ddl n GLY 175 N 1.36 -0.80 0.08 -0.72 0.00 -1.26 0.13 105.19 103.98 3ddl n GLY 175 Ca 0.00 0.55 0.04 0.00 0.00 0.00 0.00 46.02 46.61 3ddl n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ddl n ASP 176 N -4.74 0.20 -0.07 1.61 10.43 -1.26 -2.73 116.55 119.98 3ddl n ASP 176 Ca 0.11 0.48 -0.15 0.00 2.57 0.00 0.00 54.79 57.81 3ddl n ASP 176 Cb 0.36 -0.47 -0.05 0.00 1.84 0.00 0.00 41.12 42.79 3ddl n ASP 176 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 3ddl n THR 177 N -1.72 1.15 0.39 -3.53 -1.04 0.35 -4.27 114.28 105.61 3ddl n THR 177 Ca -0.01 -0.08 -0.17 0.00 -2.04 0.00 0.00 64.05 61.76 3ddl n THR 177 Cb 0.19 -1.87 -0.08 0.00 -1.82 0.00 0.00 70.33 66.74 3ddl n THR 177 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3ddl h ILE 178 N -0.65 0.00 -1.16 12.58 5.03 -1.52 -2.15 117.51 129.63 3ddl h ILE 178 Ca -0.29 0.00 0.33 0.00 -0.12 0.00 0.00 64.86 64.78 3ddl h ILE 178 Cb 1.13 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.86 3ddl h ILE 178 CO -0.18 0.00 0.81 -0.61 -0.68 0.00 0.00 178.15 177.49 3ddl h GLN 179 N -1.05 0.10 0.00 2.37 4.15 -1.81 0.46 115.11 119.32 3ddl h GLN 179 Ca -0.10 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3ddl h GLN 179 Cb 0.83 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.50 3ddl h GLN 179 CO 0.12 0.07 0.00 -2.13 -1.93 0.00 0.00 178.83 174.96 3ddl n ARG 180 N -4.32 0.55 -3.27 1.69 0.00 -0.82 -4.80 116.66 105.70 3ddl n ARG 180 Ca 0.26 0.03 -0.21 0.00 -0.00 0.00 0.00 57.85 57.93 3ddl n ARG 180 Cb 1.17 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 32.13 3ddl n ARG 180 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3ddl s GLN 181 N -2.15 3.09 1.08 -0.14 -1.52 0.16 -5.05 119.66 115.13 3ddl s GLN 181 Ca 0.28 -0.79 -0.15 0.00 -1.95 0.00 0.00 55.36 52.76 3ddl s GLN 181 Cb 0.14 -2.71 0.15 0.00 -0.22 0.00 0.00 33.01 30.37 3ddl s GLN 181 CO 0.26 -0.08 0.53 -1.13 -0.25 0.00 0.00 175.29 174.62 3ddl n SER 182 N -1.83 -1.78 -0.17 5.90 3.41 -1.26 -4.55 113.62 113.34 3ddl n SER 182 Ca 0.00 0.03 -0.08 0.00 -0.26 0.00 0.00 58.87 58.56 3ddl n SER 182 Cb 0.58 -1.16 0.01 0.00 -0.26 0.00 0.00 64.21 63.37 3ddl n SER 182 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3ddl h SER 183 N -2.14 0.67 0.29 4.04 0.02 -1.96 0.30 113.55 114.77 3ddl h SER 183 Ca -0.53 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.26 3ddl h SER 183 Cb 1.32 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3ddl h SER 183 CO 0.41 0.65 -0.21 -0.09 -1.14 0.00 0.00 176.83 176.45 3ddl h ARG 184 N 0.66 -0.48 -0.31 3.45 9.65 -1.99 -0.49 114.38 124.86 3ddl h ARG 184 Ca 0.17 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.05 3ddl h ARG 184 Cb 0.17 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 3ddl h ARG 184 CO -0.02 -0.32 0.09 0.28 2.80 0.00 0.00 179.97 182.80 3ddl h VAL 185 N -0.50 1.21 -0.86 0.20 2.07 -1.89 -1.25 116.25 115.22 3ddl h VAL 185 Ca -0.02 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 66.87 3ddl h VAL 185 Cb 0.43 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 3ddl h VAL 185 CO 0.00 0.23 0.54 0.28 0.02 0.00 0.00 177.57 178.64 3ddl h SER 186 N 0.35 0.85 0.40 0.57 0.02 -0.88 0.15 113.55 115.01 3ddl h SER 186 Ca 0.10 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3ddl h SER 186 Cb 0.27 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3ddl h SER 186 CO -0.00 0.54 -0.19 0.74 -1.14 0.00 0.00 176.83 176.78 3ddl h THR 187 N 0.98 0.59 -0.61 -2.27 2.02 -0.78 -0.04 112.91 112.80 3ddl h THR 187 Ca 0.38 -0.30 0.10 0.00 0.77 0.00 0.00 66.41 67.35 3ddl h THR 187 Cb 0.17 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 3ddl h THR 187 CO -0.17 0.06 0.23 -0.07 0.37 0.00 0.00 175.52 175.93 3ddl h LEU 188 N -0.72 0.22 -0.83 2.58 3.38 -0.79 0.13 115.31 119.27 3ddl h LEU 188 Ca -0.06 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3ddl h LEU 188 Cb 0.51 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3ddl h LEU 188 CO 0.09 0.13 0.40 -0.07 0.09 0.00 0.00 178.44 179.08 3ddl h LEU 189 N 0.40 1.10 -0.84 1.67 3.38 -0.60 -1.28 115.31 119.15 3ddl h LEU 189 Ca 0.31 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3ddl h LEU 189 Cb 0.39 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ddl h LEU 189 CO -0.31 0.93 0.19 1.23 0.09 0.00 0.00 178.44 180.57 3ddl h GLY 190 N 1.19 1.14 1.38 0.83 0.00 0.05 -2.24 103.07 105.42 3ddl h GLY 190 Ca 0.29 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 3ddl h GLY 190 CO -0.04 0.63 -0.12 3.43 0.00 0.00 0.00 176.54 180.44 3ddl h ASN 191 N 1.01 0.73 -0.40 0.19 2.35 -0.41 -1.84 115.58 117.21 3ddl h ASN 191 Ca 0.22 -0.22 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 3ddl h ASN 191 Cb 0.32 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3ddl h ASN 191 CO -0.00 0.87 -0.23 0.00 -1.65 0.00 0.00 177.43 176.42 3ddl h ALA 192 N 1.20 0.75 -0.44 -0.83 0.00 -0.97 0.02 119.26 118.99 3ddl h ALA 192 Ca 0.11 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3ddl h ALA 192 Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ddl h ALA 192 CO 0.04 0.66 -0.11 -0.09 0.00 0.00 0.00 179.25 179.75 3ddl h ARG 193 N 0.78 0.79 -0.16 0.00 2.43 -1.24 -0.90 114.38 116.08 3ddl h ARG 193 Ca 0.10 -0.26 -0.18 0.00 -0.81 0.00 0.00 59.98 58.83 3ddl h ARG 193 Cb 0.79 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3ddl h ARG 193 CO 0.07 0.87 -0.64 1.25 -1.51 0.00 0.00 179.97 180.00 3ddl h LEU 194 N 0.72 0.66 -0.51 3.80 6.46 -1.13 -1.72 115.31 123.59 3ddl h LEU 194 Ca 0.12 -0.39 -0.10 0.00 -0.12 0.00 0.00 57.88 57.39 3ddl h LEU 194 Cb 0.59 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 3ddl h LEU 194 CO 0.04 1.14 -0.08 0.25 -0.62 0.00 0.00 178.44 179.16 3ddl h LEU 195 N 0.42 0.95 -0.11 2.25 5.85 -0.78 -1.58 115.31 122.31 3ddl h LEU 195 Ca -0.01 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.37 3ddl h LEU 195 Cb 1.22 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3ddl h LEU 195 CO 0.12 1.07 0.04 0.25 -0.34 0.00 0.00 178.44 179.59 3ddl h LEU 196 N 0.82 0.06 -0.46 2.25 6.46 -1.02 -0.51 115.31 122.89 3ddl h LEU 196 Ca 0.13 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.96 3ddl h LEU 196 Cb 0.63 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.51 3ddl h LEU 196 CO 0.04 0.05 0.18 0.25 -0.62 0.00 0.00 178.44 178.34 3ddl h LEU 197 N 0.10 0.20 -0.14 2.25 5.85 -1.08 0.18 115.31 122.68 3ddl h LEU 197 Ca 0.05 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3ddl h LEU 197 Cb 0.02 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3ddl h LEU 197 CO -0.04 0.15 -0.01 0.00 -0.34 0.00 0.00 178.44 178.19 3ddl h ALA 198 N 1.30 0.19 -0.02 1.25 0.00 -1.14 0.71 119.26 121.55 3ddl h ALA 198 Ca 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ddl h ALA 198 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ddl h ALA 198 CO -0.21 -0.09 -0.09 1.79 0.00 0.00 0.00 179.25 180.65 3ddl h THR 199 N -0.03 1.51 -0.79 0.00 1.35 -0.99 -2.91 112.91 111.05 3ddl h THR 199 Ca 0.04 -1.64 0.02 0.00 -0.55 0.00 0.00 66.41 64.28 3ddl h THR 199 Cb 0.41 2.56 -0.04 0.00 -1.73 0.00 0.00 68.15 69.34 3ddl h THR 199 CO 0.01 0.44 0.52 -0.50 -0.25 0.00 0.00 175.52 175.74 3ddl h TRP 200 N -0.55 0.96 -0.42 4.73 4.06 -0.72 -1.35 115.95 122.66 3ddl h TRP 200 Ca -0.01 0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.05 3ddl h TRP 200 Cb 0.76 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.58 3ddl h TRP 200 CO 0.16 0.58 0.29 0.78 -3.56 0.00 0.00 178.44 176.68 3ddl h GLY 201 N 1.01 0.25 0.68 1.49 0.00 -0.82 -2.45 103.07 103.23 3ddl h GLY 201 Ca 0.30 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.63 3ddl h GLY 201 CO -0.08 0.05 0.50 -2.75 0.00 0.00 0.00 176.54 174.26 3ddl h PHE 202 N 0.18 0.92 0.28 5.60 3.57 -1.04 -3.12 116.94 123.33 3ddl h PHE 202 Ca 0.19 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3ddl h PHE 202 Cb 0.53 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 3ddl h PHE 202 CO -0.00 0.44 -0.17 1.88 -2.23 0.00 0.00 178.31 178.24 3ddl h TYR 203 N 0.89 -0.44 0.00 0.41 0.05 -1.54 0.11 116.97 116.45 3ddl h TYR 203 Ca 0.37 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 59.11 3ddl h TYR 203 Cb 0.21 0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 3ddl h TYR 203 CO -0.04 -0.27 -0.15 -1.00 -1.05 0.00 0.00 178.16 175.66 3ddl h PRO 204 N -0.43 0.00 -0.06 4.88 0.13 -1.70 0.14 132.00 134.96 3ddl h PRO 204 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 3ddl h PRO 204 Cb 0.36 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 3ddl h PRO 204 CO 0.03 0.15 -0.01 0.82 -0.23 0.00 0.00 178.00 178.76 3ddl h ILE 205 N 0.00 1.28 -0.26 -3.56 2.04 -1.37 -2.14 117.51 113.50 3ddl h ILE 205 Ca -0.00 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 3ddl h ILE 205 Cb 0.47 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3ddl h ILE 205 CO 0.02 0.24 -0.05 0.00 0.00 0.00 0.00 178.15 178.35 3ddl h ALA 206 N 0.68 1.43 -0.91 1.87 0.00 -0.41 -2.04 119.26 119.87 3ddl h ALA 206 Ca 0.01 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3ddl h ALA 206 Cb 0.38 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3ddl h ALA 206 CO 0.00 0.40 0.59 -0.92 0.00 0.00 0.00 179.25 179.32 3ddl h TYR 207 N 0.39 1.10 0.00 0.00 3.20 -0.74 -2.92 116.97 117.99 3ddl h TYR 207 Ca 0.08 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.84 3ddl h TYR 207 Cb 0.35 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3ddl h TYR 207 CO 0.01 0.61 -0.65 0.52 -1.64 0.00 0.00 178.16 177.01 3ddl h MET 208 N 1.12 0.00 -0.99 1.82 2.86 -0.73 -3.38 114.93 115.63 3ddl h MET 208 Ca 0.37 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 58.18 3ddl h MET 208 Cb 0.05 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.54 3ddl h MET 208 CO -0.14 0.65 -0.34 0.82 1.06 0.00 0.00 176.91 178.97 3ddl h ILE 209 N 0.00 0.00 -0.55 -1.22 1.08 -1.19 0.68 117.51 116.32 3ddl h ILE 209 Ca -0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 3ddl h ILE 209 Cb 1.50 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.18 3ddl h ILE 209 CO 0.08 0.00 0.12 -0.65 -0.69 0.00 0.00 178.15 177.02 3ddl h PRO 210 N -0.00 0.25 -1.99 2.37 0.11 -1.76 -3.50 132.00 127.48 3ddl h PRO 210 Ca 0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3ddl h PRO 210 Cb 0.65 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3ddl h PRO 210 CO -1.00 0.17 0.00 -1.33 -0.21 0.00 0.00 178.00 175.63 3ddl n MET 211 N -5.11 0.00 -3.06 1.05 2.81 0.24 -5.01 117.12 108.03 3ddl n MET 211 Ca 0.07 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.53 3ddl n MET 211 Cb 0.28 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.24 3ddl n MET 211 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3ddl s PRO 218 N 1.34 3.25 0.00 0.03 0.02 -1.26 -5.00 135.00 133.38 3ddl s PRO 218 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 61.00 60.54 3ddl s PRO 218 Cb 0.00 -4.01 0.00 0.00 0.02 0.00 0.00 34.50 30.51 3ddl s PRO 218 CO 0.00 -1.16 0.00 0.43 -0.33 0.00 0.00 177.00 175.94 3ddl n SER 219 N 6.48 0.00 -2.69 2.53 7.64 -1.26 -2.74 113.62 123.58 3ddl n SER 219 Ca -0.02 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.77 3ddl n SER 219 Cb 0.47 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.71 3ddl n SER 219 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3ddl n ASN 220 N -3.29 1.14 -4.93 6.43 2.04 -1.26 -4.84 115.26 110.56 3ddl n ASN 220 Ca 0.00 -2.71 -0.25 0.00 -0.44 0.00 0.00 54.58 51.18 3ddl n ASN 220 Cb 0.00 -0.41 -0.01 0.00 -2.53 0.00 0.00 39.78 36.83 3ddl n ASN 220 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 3ddl s THR 221 N -2.82 5.06 0.17 5.53 -4.23 -1.11 -4.25 115.64 113.99 3ddl s THR 221 Ca 0.27 -0.28 -0.17 0.00 -1.18 0.00 0.00 61.69 60.34 3ddl s THR 221 Cb 0.45 -3.84 0.09 0.00 1.34 0.00 0.00 72.50 70.54 3ddl s THR 221 CO 0.02 -0.56 1.68 -0.65 -0.54 0.00 0.00 174.62 174.57 3ddl h PRO 222 N 0.83 0.03 -0.83 3.99 0.11 -1.92 -2.42 132.00 131.79 3ddl h PRO 222 Ca -0.49 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.72 3ddl h PRO 222 Cb 1.21 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 3ddl h PRO 222 CO 0.62 0.02 0.54 0.78 -0.21 0.00 0.00 178.00 179.75 3ddl h GLY 223 N 0.03 1.11 1.58 -0.55 0.00 -1.96 -2.18 103.07 101.11 3ddl h GLY 223 Ca 0.20 -0.31 -0.20 0.00 0.00 0.00 0.00 47.33 47.02 3ddl h GLY 223 CO -0.39 0.17 -0.81 -0.84 0.00 0.00 0.00 176.54 174.66 3ddl h THR 224 N 0.75 1.39 -0.07 4.70 2.02 -1.72 -2.36 112.91 117.63 3ddl h THR 224 Ca 0.39 -2.28 -0.24 0.00 0.77 0.00 0.00 66.41 65.05 3ddl h THR 224 Cb 0.49 2.24 0.01 0.00 -1.74 0.00 0.00 68.15 69.15 3ddl h THR 224 CO -0.16 0.68 -0.91 0.16 0.37 0.00 0.00 175.52 175.67 3ddl h ILE 225 N 0.25 1.30 0.31 3.11 3.07 -1.18 -2.29 117.51 122.09 3ddl h ILE 225 Ca -0.05 -2.15 -0.02 0.00 1.55 0.00 0.00 64.86 64.19 3ddl h ILE 225 Cb 1.41 2.21 0.00 0.00 -0.27 0.00 0.00 36.82 40.17 3ddl h ILE 225 CO 0.14 0.67 -0.15 0.58 -1.05 0.00 0.00 178.15 178.34 3ddl h VAL 226 N 0.43 0.70 -0.59 0.16 2.07 -1.47 -0.75 116.25 116.79 3ddl h VAL 226 Ca -0.09 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.47 3ddl h VAL 226 Cb 1.54 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3ddl h VAL 226 CO 0.18 0.01 0.30 0.00 0.02 0.00 0.00 177.57 178.07 3ddl h ALA 227 N 0.27 0.78 -0.17 1.67 0.00 -1.47 -0.53 119.26 119.81 3ddl h ALA 227 Ca -0.04 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ddl h ALA 227 Cb 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ddl h ALA 227 CO 0.07 -0.05 -0.07 -0.07 0.00 0.00 0.00 179.25 179.13 3ddl h LEU 228 N 0.56 0.35 -0.30 0.00 3.38 -1.27 -0.19 115.31 117.83 3ddl h LEU 228 Ca 0.27 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3ddl h LEU 228 Cb 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3ddl h LEU 228 CO -0.20 0.67 0.16 1.56 0.09 0.00 0.00 178.44 180.73 3ddl h GLN 229 N 0.03 0.42 -0.44 1.13 1.08 -0.97 0.04 115.11 116.40 3ddl h GLN 229 Ca 0.04 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3ddl h GLN 229 Cb 0.54 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 3ddl h GLN 229 CO 0.02 0.37 0.22 0.28 -0.95 0.00 0.00 178.83 178.78 3ddl h VAL 230 N 0.37 1.17 -0.34 -0.54 2.07 -1.09 -1.19 116.25 116.71 3ddl h VAL 230 Ca 0.11 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3ddl h VAL 230 Cb 0.07 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3ddl h VAL 230 CO -0.02 0.18 0.18 1.23 0.02 0.00 0.00 177.57 179.16 3ddl h GLY 231 N 0.56 0.51 1.27 2.17 0.00 -0.83 -1.49 103.07 105.26 3ddl h GLY 231 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 3ddl h GLY 231 CO -0.02 0.23 0.11 -0.97 0.00 0.00 0.00 176.54 175.89 3ddl h TYR 232 N 0.42 0.94 -0.47 5.60 0.05 -0.87 -1.85 116.97 120.78 3ddl h TYR 232 Ca 0.12 -0.10 -0.13 0.00 0.05 0.00 0.00 58.73 58.66 3ddl h TYR 232 Cb 0.08 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 3ddl h TYR 232 CO -0.02 0.80 -0.23 1.15 -1.05 0.00 0.00 178.16 178.81 3ddl h THR 233 N 0.86 1.27 -0.49 -2.88 2.02 -1.08 0.48 112.91 113.08 3ddl h THR 233 Ca 0.18 -1.39 -0.09 0.00 0.77 0.00 0.00 66.41 65.88 3ddl h THR 233 Cb 0.35 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3ddl h THR 233 CO 0.00 0.48 -0.04 0.40 0.37 0.00 0.00 175.52 176.74 3ddl h ILE 234 N 0.84 1.27 -0.42 3.11 2.04 -1.16 -1.61 117.51 121.57 3ddl h ILE 234 Ca 0.11 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 3ddl h ILE 234 Cb 0.80 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3ddl h ILE 234 CO 0.07 0.40 0.07 0.00 0.00 0.00 0.00 178.15 178.69 3ddl h ALA 235 N 0.92 0.56 -0.32 1.87 0.00 -1.17 -2.13 119.26 118.99 3ddl h ALA 235 Ca 0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ddl h ALA 235 Cb 0.57 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3ddl h ALA 235 CO 0.03 0.28 0.19 -0.44 0.00 0.00 0.00 179.25 179.31 3ddl h ASP 236 N 0.56 0.39 -0.53 0.00 3.32 -0.80 0.15 116.42 119.51 3ddl h ASP 236 Ca 0.13 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.16 3ddl h ASP 236 Cb 0.37 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3ddl h ASP 236 CO 0.01 0.34 0.29 0.58 -1.72 0.00 0.00 179.24 178.73 3ddl h VAL 237 N 0.41 0.99 -0.31 -1.35 2.07 -1.19 -1.90 116.25 114.97 3ddl h VAL 237 Ca 0.11 -0.19 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 3ddl h VAL 237 Cb 0.03 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3ddl h VAL 237 CO -0.02 0.10 -0.48 -0.07 0.02 0.00 0.00 177.57 177.12 3ddl h LEU 238 N 0.56 0.96 -0.84 2.57 3.38 -1.18 0.32 115.31 121.09 3ddl h LEU 238 Ca 0.23 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3ddl h LEU 238 Cb 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3ddl h LEU 238 CO -0.14 1.29 0.00 0.00 0.09 0.00 0.00 178.44 179.68 3ddl h ALA 239 N 0.70 1.00 0.00 1.53 0.00 -0.54 -1.37 119.26 120.58 3ddl h ALA 239 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ddl h ALA 239 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3ddl h ALA 239 CO 0.11 0.00 -0.72 1.63 0.00 0.00 0.00 179.25 180.27 3ddl n LYS 240 N -2.77 0.10 -0.04 0.00 5.02 -0.73 -4.46 118.16 115.29 3ddl n LYS 240 Ca 0.02 0.04 -0.10 0.00 -2.02 0.00 0.00 58.31 56.26 3ddl n LYS 240 Cb 0.34 -0.68 -0.09 0.00 -0.02 0.00 0.00 35.03 34.58 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 -0.19 -0.04 -0.19 7.82 0.00 -1.17 -1.40 119.26 124.10 3ddl h ALA 241 Ca -0.06 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.55 3ddl h ALA 241 Cb 0.63 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3ddl h ALA 241 CO -0.04 -0.07 0.06 0.78 0.00 0.00 0.00 179.25 179.98 3ddl h GLY 242 N -0.95 0.23 1.01 0.00 0.00 -1.31 -1.34 103.07 100.71 3ddl h GLY 242 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.30 3ddl h GLY 242 CO 0.01 0.02 0.65 -1.82 0.00 0.00 0.00 176.54 175.40 3ddl h TYR 243 N 0.15 1.23 -0.66 5.60 3.20 -1.38 -2.12 116.97 122.99 3ddl h TYR 243 Ca 0.08 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3ddl h TYR 243 Cb 0.06 -0.42 -0.03 0.00 1.54 0.00 0.00 36.73 37.88 3ddl h TYR 243 CO -0.12 0.78 0.33 0.78 -1.64 0.00 0.00 178.16 178.28 3ddl h GLY 244 N 1.33 1.00 1.27 1.82 0.00 -0.68 -1.25 103.07 106.56 3ddl h GLY 244 Ca 0.36 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 3ddl h GLY 244 CO -0.08 0.44 0.24 -2.08 0.00 0.00 0.00 176.54 175.07 3ddl h VAL 245 N 0.93 1.22 -0.47 4.60 2.07 -0.59 -0.49 116.25 123.52 3ddl h VAL 245 Ca 0.23 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 3ddl h VAL 245 Cb 0.08 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3ddl h VAL 245 CO -0.03 0.28 -0.00 -0.07 0.02 0.00 0.00 177.57 177.77 3ddl h LEU 246 N 0.91 0.81 -0.84 2.57 3.38 -1.01 -1.54 115.31 119.60 3ddl h LEU 246 Ca 0.21 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ddl h LEU 246 Cb 0.19 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3ddl h LEU 246 CO -0.02 0.93 0.55 0.40 0.09 0.00 0.00 178.44 180.39 3ddl h ILE 247 N 0.68 1.22 -0.30 1.22 1.08 -0.82 -1.23 117.51 119.36 3ddl h ILE 247 Ca 0.13 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.19 3ddl h ILE 247 Cb 0.51 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 3ddl h ILE 247 CO 0.02 0.21 0.17 0.22 -0.69 0.00 0.00 178.15 178.09 3ddl h TYR 248 N 1.14 0.40 0.00 1.37 3.20 -0.84 -1.10 116.97 121.15 3ddl h TYR 248 Ca 0.31 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 3ddl h TYR 248 Cb -0.12 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 3ddl h TYR 248 CO -0.01 0.31 -0.19 -0.91 -1.64 0.00 0.00 178.16 175.72 3ddl h ASN 249 N 0.38 0.00 -0.01 -2.11 2.35 -0.85 -0.24 115.58 115.09 3ddl h ASN 249 Ca 0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3ddl h ASN 249 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3ddl h ASN 249 CO -0.02 0.19 -0.05 0.40 -1.65 0.00 0.00 177.43 176.30 3ddl h ILE 250 N 0.00 1.49 -0.99 2.81 2.04 -0.77 -1.72 117.51 120.37 3ddl h ILE 250 Ca -0.00 -1.51 0.06 0.00 1.00 0.00 0.00 64.86 64.41 3ddl h ILE 250 Cb 0.43 2.46 -0.06 0.00 -0.74 0.00 0.00 36.82 38.91 3ddl h ILE 250 CO 0.02 0.40 0.64 0.00 0.00 0.00 0.00 178.15 179.22 3ddl h ALA 251 N 0.39 1.40 0.14 1.87 0.00 -0.89 -1.19 119.26 120.96 3ddl h ALA 251 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ddl h ALA 251 Cb 0.68 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ddl h ALA 251 CO 0.01 0.47 -0.07 -0.22 0.00 0.00 0.00 179.25 179.44 3ddl h LYS 252 N 1.19 -0.18 -0.62 0.00 1.63 -1.03 -0.15 116.57 117.42 3ddl h LYS 252 Ca 0.42 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.24 3ddl h LYS 252 Cb 0.12 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 3ddl h LYS 252 CO -0.15 0.03 0.41 0.00 -3.45 0.00 0.00 179.45 176.28 3ddl h ALA 253 N 0.48 0.79 -0.54 5.00 0.00 -1.07 -0.18 119.26 123.73 3ddl h ALA 253 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ddl h ALA 253 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ddl h ALA 253 CO 0.03 0.21 0.24 0.87 0.00 0.00 0.00 179.25 180.60 3ddl h LYS 254 N 0.83 0.79 -0.85 0.00 1.57 -1.18 -1.35 116.57 116.37 3ddl h LYS 254 Ca 0.23 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3ddl h LYS 254 Cb -0.09 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.04 3ddl h LYS 254 CO -0.05 0.67 0.56 0.77 -0.57 0.00 0.00 179.45 180.82 3ddl h SER 255 N 0.73 0.95 -0.38 0.86 0.02 -0.34 -1.18 113.55 114.23 3ddl h SER 255 Ca 0.18 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 3ddl h SER 255 Cb 0.15 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3ddl h SER 255 CO -0.02 0.68 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.74 3ddl h GLU 256 N 1.12 0.90 -0.80 3.45 5.08 -0.75 -1.57 114.58 122.01 3ddl h GLU 256 Ca 0.32 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3ddl h GLU 256 Cb -0.08 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3ddl h GLU 256 CO -0.09 1.06 0.33 0.93 -1.00 0.00 0.00 179.01 180.24 3ddl h GLU 257 N 0.76 1.19 -1.80 2.33 5.08 -0.85 -2.09 114.58 119.21 3ddl h GLU 257 Ca 0.09 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 3ddl h GLU 257 Cb 0.84 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3ddl h GLU 257 CO 0.07 0.95 0.07 0.39 -1.00 0.00 0.00 179.01 179.50 3ddl n GLU 258 N -4.28 1.14 -1.94 2.33 1.02 -0.48 -4.79 120.64 113.64 3ddl n GLU 258 Ca 0.07 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 3ddl n GLU 258 Cb 0.18 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 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 1.17 -0.35 3.84 0.62 0.00 -0.78 -4.87 105.19 104.81 3ddl n GLY 259 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.50 3.40 -1.39 1.61 0.08 -0.61 -5.03 117.98 114.54 3ddl s PHE 260 Ca 0.00 1.37 0.11 0.00 0.12 0.00 0.00 56.93 58.53 3ddl s PHE 260 Cb 0.00 -2.69 0.09 0.00 -0.57 0.00 0.00 43.02 39.85 3ddl s PHE 260 CO 0.00 -0.16 0.85 0.09 -0.10 0.00 0.00 175.22 175.91