#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcg s TYR 18 N 0.00 2.47 0.17 1.12 1.51 -1.26 -0.09 117.35 121.27 3dcg s TYR 18 Ca 0.00 -0.30 0.10 0.00 -1.01 0.00 0.00 57.07 55.87 3dcg s TYR 18 Cb 0.00 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 3dcg s TYR 18 CO 0.00 0.35 -0.23 0.14 -1.11 0.00 0.00 175.55 174.70 3dcg s VAL 19 N -1.08 2.16 -0.25 0.71 -7.23 0.17 -4.74 120.40 110.13 3dcg s VAL 19 Ca 0.16 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.37 3dcg s VAL 19 Cb -0.10 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 3dcg s VAL 19 CO 0.08 -0.12 0.02 -0.75 -0.31 0.00 0.00 175.10 174.02 3dcg s LYS 20 N -2.52 3.37 -0.18 4.82 2.20 0.28 -1.20 119.74 126.50 3dcg s LYS 20 Ca 0.17 -0.65 -0.05 0.00 -0.36 0.00 0.00 55.97 55.09 3dcg s LYS 20 Cb -0.08 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 3dcg s LYS 20 CO 0.08 -0.26 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.29 3dcg s LEU 21 N 1.52 3.26 -0.16 5.43 1.43 0.03 -0.41 118.68 129.79 3dcg s LEU 21 Ca 0.05 -0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3dcg s LEU 21 Cb -0.15 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3dcg s LEU 21 CO -0.00 0.10 -0.08 -0.63 0.23 0.00 0.00 176.35 175.97 3dcg s ILE 22 N 0.75 3.37 0.77 -0.59 1.01 -0.08 -0.10 121.20 126.33 3dcg s ILE 22 Ca -0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 3dcg s ILE 22 Cb -0.14 -2.46 0.10 0.00 0.01 0.00 0.00 42.46 39.97 3dcg s ILE 22 CO 0.02 0.50 1.09 -0.94 0.00 0.00 0.00 174.94 175.61 3dcg s SER 23 N 0.57 4.34 0.39 3.58 1.04 0.08 -0.10 113.70 123.60 3dcg s SER 23 Ca -0.06 0.31 0.16 0.00 0.48 0.00 0.00 55.95 56.84 3dcg s SER 23 Cb -0.15 -0.77 0.79 0.00 0.10 0.00 0.00 66.02 65.99 3dcg s SER 23 CO 0.03 -1.91 1.83 0.77 0.98 0.00 0.00 173.24 174.93 3dcg h SER 24 N -0.85 0.00 -0.47 7.02 4.64 0.09 -2.04 113.55 121.94 3dcg h SER 24 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3dcg h SER 24 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3dcg h SER 24 CO 0.53 0.35 0.00 -0.90 -0.87 0.00 0.00 176.83 175.94 3dcg n ASP 25 N -3.90 3.20 0.00 4.97 5.75 -1.26 -4.94 116.55 120.36 3dcg n ASP 25 Ca -0.02 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 3dcg n ASP 25 Cb 0.42 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3dcg n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dcg n GLY 26 N 1.04 0.51 3.78 6.12 0.00 -0.77 -5.03 105.19 110.84 3dcg n GLY 26 Ca 0.18 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 3dcg n GLY 26 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dcg s HIS 27 N -2.00 3.90 -0.17 1.61 3.76 -1.26 -4.85 115.29 116.28 3dcg s HIS 27 Ca 0.00 1.58 -0.05 0.00 -0.15 0.00 0.00 55.06 56.44 3dcg s HIS 27 Cb 0.00 -2.73 -0.03 0.00 1.11 0.00 0.00 32.58 30.93 3dcg s HIS 27 CO 0.00 0.53 0.00 -1.21 -0.85 0.00 0.00 174.74 173.21 3dcg s GLU 28 N -1.14 3.79 -0.23 1.40 2.02 -1.26 -0.74 118.70 122.53 3dcg s GLU 28 Ca 0.35 -0.45 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 3dcg s GLU 28 Cb -0.23 -3.03 0.03 0.00 0.10 0.00 0.00 34.13 31.00 3dcg s GLU 28 CO 0.25 0.25 -0.10 -0.06 0.02 0.00 0.00 175.26 175.62 3dcg s PHE 29 N 0.38 3.01 -0.41 1.61 0.40 0.85 -4.95 117.98 118.86 3dcg s PHE 29 Ca -0.01 -1.62 -0.16 0.00 -0.60 0.00 0.00 56.93 54.54 3dcg s PHE 29 Cb -0.13 -2.01 0.02 0.00 0.51 0.00 0.00 43.02 41.40 3dcg s PHE 29 CO 0.02 -0.75 0.33 0.42 0.70 0.00 0.00 175.22 175.94 3dcg s ILE 30 N 1.30 5.22 0.14 0.64 1.01 -1.26 -0.79 121.20 127.45 3dcg s ILE 30 Ca 0.01 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.18 3dcg s ILE 30 Cb -0.16 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 3dcg s ILE 30 CO -0.07 -0.33 -0.25 -0.69 0.00 0.00 0.00 174.94 173.60 3dcg s VAL 31 N 1.79 2.13 0.25 2.92 1.01 -0.34 -4.94 120.40 123.22 3dcg s VAL 31 Ca 0.07 -1.76 -0.30 0.00 0.00 0.00 0.00 61.98 59.98 3dcg s VAL 31 Cb -0.19 -1.91 -0.11 0.00 0.00 0.00 0.00 36.38 34.17 3dcg s VAL 31 CO 0.11 0.00 1.58 -0.54 0.00 0.00 0.00 175.10 176.25 3dcg s LYS 32 N -2.16 4.17 0.15 2.72 1.02 -1.26 0.45 119.74 124.83 3dcg s LYS 32 Ca 0.13 2.49 -0.22 0.00 0.02 0.00 0.00 55.97 58.39 3dcg s LYS 32 Cb -0.09 -3.07 0.04 0.00 -0.52 0.00 0.00 37.83 34.19 3dcg s LYS 32 CO 0.06 -0.60 1.62 -0.09 -0.92 0.00 0.00 175.35 175.43 3dcg h ARG 33 N 5.45 -0.24 -0.92 1.68 2.43 -0.79 -1.26 114.38 120.73 3dcg h ARG 33 Ca -0.46 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 58.90 3dcg h ARG 33 Cb 1.21 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.74 3dcg h ARG 33 CO 0.83 -0.16 0.59 0.93 -1.51 0.00 0.00 179.97 180.65 3dcg h GLU 34 N -0.25 0.59 -0.16 0.20 3.07 -1.92 -2.10 114.58 114.02 3dcg h GLU 34 Ca 0.15 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 3dcg h GLU 34 Cb 0.47 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3dcg h GLU 34 CO -0.41 0.39 -0.15 0.45 -1.40 0.00 0.00 179.01 177.88 3dcg h HIS 35 N 0.61 0.46 0.00 4.33 3.86 -1.63 -3.14 115.15 119.64 3dcg h HIS 35 Ca 0.48 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.55 3dcg h HIS 35 Cb 0.91 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.28 3dcg h HIS 35 CO -0.00 0.77 -0.01 0.00 0.86 0.00 0.00 177.93 179.54 3dcg h ALA 36 N 0.62 1.12 0.00 2.45 0.00 -0.72 -1.72 119.26 121.01 3dcg h ALA 36 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dcg h ALA 36 Cb 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dcg h ALA 36 CO 0.04 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.59 3dcg n LEU 37 N -3.28 0.00 -0.10 0.00 4.77 -0.85 -2.00 117.00 115.54 3dcg n LEU 37 Ca -0.02 0.14 0.02 0.00 -0.03 0.00 0.00 56.01 56.11 3dcg n LEU 37 Cb 0.12 -0.14 0.32 0.00 -2.33 0.00 0.00 43.42 41.39 3dcg n LEU 37 CO 0.23 -0.03 1.15 0.74 -1.33 0.00 0.00 177.39 178.15 3dcg h THR 38 N 0.00 1.16 -3.06 -5.08 2.02 -1.45 -3.40 112.91 103.10 3dcg h THR 38 Ca 0.00 -0.37 -0.57 0.00 0.77 0.00 0.00 66.41 66.24 3dcg h THR 38 Cb 0.11 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 3dcg h THR 38 CO 0.00 0.17 0.78 -0.55 0.37 0.00 0.00 175.52 176.29 3dcg s SER 39 N -6.55 7.07 0.26 4.18 0.15 -0.85 -4.71 113.70 113.25 3dcg s SER 39 Ca -0.09 1.56 -0.00 0.00 0.70 0.00 0.00 55.95 58.12 3dcg s SER 39 Cb 0.17 -2.54 0.33 0.00 -1.71 0.00 0.00 66.02 62.26 3dcg s SER 39 CO 0.76 -0.65 1.69 1.23 1.20 0.00 0.00 173.24 177.47 3dcg h GLY 40 N 9.12 0.64 0.89 9.45 0.00 -1.32 -1.12 103.07 120.73 3dcg h GLY 40 Ca -0.25 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 3dcg h GLY 40 CO 0.94 0.48 0.04 -0.84 0.00 0.00 0.00 176.54 177.17 3dcg h THR 41 N 0.52 1.11 -0.51 4.70 2.02 -1.76 -1.57 112.91 117.41 3dcg h THR 41 Ca 0.07 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 3dcg h THR 41 Cb 0.69 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 3dcg h THR 41 CO 0.05 0.10 0.21 0.40 0.37 0.00 0.00 175.52 176.65 3dcg h ILE 42 N 0.01 1.21 -0.10 3.11 2.04 -1.76 -2.03 117.51 119.99 3dcg h ILE 42 Ca 0.03 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.26 3dcg h ILE 42 Cb 0.12 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3dcg h ILE 42 CO -0.00 0.25 0.09 0.50 0.00 0.00 0.00 178.15 178.98 3dcg h LYS 43 N 0.69 0.00 0.01 2.37 3.64 -1.14 -0.84 116.57 121.30 3dcg h LYS 43 Ca 0.17 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.34 3dcg h LYS 43 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3dcg h LYS 43 CO -0.01 0.00 -0.91 0.00 -2.27 0.00 0.00 179.45 176.26 3dcg h ALA 44 N 1.92 0.46 0.39 5.00 0.00 -0.61 -3.29 119.26 123.13 3dcg h ALA 44 Ca 0.05 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 3dcg h ALA 44 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dcg h ALA 44 CO -0.00 0.89 -0.19 0.52 0.00 0.00 0.00 179.25 180.47 3dcg h MET 45 N 0.14 -0.50 -6.26 0.00 2.86 -0.51 -3.51 114.93 107.15 3dcg h MET 45 Ca -0.06 0.03 -0.57 0.00 -2.06 0.00 0.00 59.70 57.05 3dcg h MET 45 Cb 1.54 0.11 -0.09 0.00 0.06 0.00 0.00 31.60 33.22 3dcg h MET 45 CO 0.14 -0.31 -0.62 -0.48 1.06 0.00 0.00 176.91 176.70 3dcg s LEU 46 N -10.05 3.43 0.00 1.22 2.34 -0.87 -5.12 118.68 109.63 3dcg s LEU 46 Ca -0.16 -0.41 0.00 0.00 0.06 0.00 0.00 54.13 53.63 3dcg s LEU 46 Cb 0.04 -2.02 0.00 0.00 -0.56 0.00 0.00 46.19 43.65 3dcg s LEU 46 CO 0.63 0.04 0.00 0.35 -1.06 0.00 0.00 176.35 176.31 3dcg n THR 57 N -0.54 0.00 -0.64 5.48 -2.24 -1.26 -4.91 114.28 110.16 3dcg n THR 57 Ca -0.08 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.78 3dcg n THR 57 Cb 0.57 -0.04 0.29 0.00 -2.10 0.00 0.00 70.33 69.05 3dcg n THR 57 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3dcg n ASN 58 N 0.00 4.21 -3.69 3.42 3.02 -1.26 -4.95 115.26 116.01 3dcg n ASN 58 Ca 0.00 -2.53 -0.18 0.00 -0.03 0.00 0.00 54.58 51.84 3dcg n ASN 58 Cb 0.00 -0.50 -0.17 0.00 -0.61 0.00 0.00 39.78 38.50 3dcg n ASN 58 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dcg s GLU 59 N -1.98 -0.05 -0.08 3.52 2.12 -1.26 0.98 118.70 121.95 3dcg s GLU 59 Ca 0.43 0.36 0.02 0.00 0.36 0.00 0.00 54.97 56.15 3dcg s GLU 59 Cb 0.29 -0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.28 3dcg s GLU 59 CO 0.18 -0.29 -0.16 0.08 -0.54 0.00 0.00 175.26 174.54 3dcg s VAL 60 N 1.91 1.43 -0.19 3.70 1.01 0.46 -4.97 120.40 123.75 3dcg s VAL 60 Ca 0.01 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 3dcg s VAL 60 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3dcg s VAL 60 CO -0.03 0.42 0.09 0.21 0.00 0.00 0.00 175.10 175.79 3dcg s ASN 61 N 0.69 5.84 -0.34 3.32 3.84 -1.26 -0.90 114.94 126.12 3dcg s ASN 61 Ca -0.13 0.12 0.00 0.00 0.21 0.00 0.00 52.86 53.07 3dcg s ASN 61 Cb -0.16 -2.01 0.09 0.00 -0.55 0.00 0.00 41.25 38.61 3dcg s ASN 61 CO 0.03 0.16 0.07 -0.36 -2.79 0.00 0.00 177.10 174.21 3dcg s PHE 62 N 0.45 3.54 -0.89 0.43 0.08 0.86 -4.94 117.98 117.51 3dcg s PHE 62 Ca 0.05 -2.49 0.26 0.00 0.12 0.00 0.00 56.93 54.87 3dcg s PHE 62 Cb -0.12 -2.71 1.02 0.00 -0.57 0.00 0.00 43.02 40.64 3dcg s PHE 62 CO -0.00 -0.92 1.81 0.54 -0.10 0.00 0.00 175.22 176.55 3dcg n ARG 63 N 4.46 0.09 0.00 0.44 3.00 -1.26 -1.41 116.66 121.98 3dcg n ARG 63 Ca -0.04 0.12 0.03 0.00 -0.01 0.00 0.00 57.85 57.96 3dcg n ARG 63 Cb 0.42 -1.61 -0.03 0.00 0.00 0.00 0.00 32.46 31.23 3dcg n ARG 63 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3dcg n GLU 64 N -1.77 4.63 -3.74 5.56 0.00 -1.26 -4.62 120.64 119.43 3dcg n GLU 64 Ca 0.06 -0.04 -0.37 0.00 0.00 0.00 0.00 57.16 56.80 3dcg n GLU 64 Cb 0.33 -0.82 -0.12 0.00 0.00 0.00 0.00 31.44 30.83 3dcg n GLU 64 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3dcg s ILE 65 N -1.56 4.10 0.64 3.84 1.01 -1.24 -4.95 121.20 123.02 3dcg s ILE 65 Ca 0.03 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 3dcg s ILE 65 Cb 0.05 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3dcg s ILE 65 CO 0.26 0.11 1.04 -2.16 0.00 0.00 0.00 174.94 174.18 3dcg s PRO 66 N 1.53 3.43 0.19 2.79 0.04 -1.26 -1.12 135.00 140.60 3dcg s PRO 66 Ca 0.03 0.83 -0.18 0.00 0.04 0.00 0.00 61.00 61.72 3dcg s PRO 66 Cb -0.17 -2.06 0.14 0.00 0.04 0.00 0.00 34.50 32.46 3dcg s PRO 66 CO 0.03 -0.71 1.35 0.43 0.04 0.00 0.00 177.00 178.14 3dcg n SER 67 N -2.79 -0.65 0.23 6.66 7.64 -1.26 -1.23 113.62 122.22 3dcg n SER 67 Ca 0.07 1.53 0.16 0.00 1.01 0.00 0.00 58.87 61.63 3dcg n SER 67 Cb 0.54 -0.31 0.71 0.00 -1.01 0.00 0.00 64.21 64.13 3dcg n SER 67 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 3dcg h HIS 68 N 0.00 0.00 0.01 1.43 2.07 -2.00 0.34 115.15 117.00 3dcg h HIS 68 Ca 0.26 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.53 3dcg h HIS 68 Cb 0.48 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.43 3dcg h HIS 68 CO -0.80 0.00 -1.37 0.28 -3.07 0.00 0.00 177.93 172.98 3dcg n VAL 69 N -2.74 1.55 -0.31 6.12 0.31 -0.50 -4.01 118.33 118.75 3dcg n VAL 69 Ca 0.00 -0.07 -0.02 0.00 -0.01 0.00 0.00 64.34 64.24 3dcg n VAL 69 Cb 0.21 -2.02 0.15 0.00 -0.91 0.00 0.00 33.84 31.28 3dcg n VAL 69 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3dcg h LEU 70 N -0.95 1.04 -0.32 7.52 6.46 -0.86 -0.60 115.31 127.59 3dcg h LEU 70 Ca -0.37 -0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.40 3dcg h LEU 70 Cb 1.35 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.96 3dcg h LEU 70 CO -0.21 0.78 -0.10 0.77 -0.62 0.00 0.00 178.44 179.06 3dcg h SER 71 N 1.21 -0.34 -0.80 1.25 4.64 -1.15 -1.00 113.55 117.35 3dcg h SER 71 Ca 0.32 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 3dcg h SER 71 Cb -0.08 0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 3dcg h SER 71 CO -0.06 -0.12 0.47 0.11 -0.87 0.00 0.00 176.83 176.35 3dcg h LYS 72 N -0.02 1.09 -0.33 4.77 1.79 -1.48 -1.80 116.57 120.59 3dcg h LYS 72 Ca 0.16 -0.11 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 3dcg h LYS 72 Cb 0.26 -0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 30.64 3dcg h LYS 72 CO -0.34 0.78 0.02 0.28 -1.08 0.00 0.00 179.45 179.11 3dcg h VAL 73 N 1.10 0.78 -0.71 0.50 2.07 -0.76 -0.32 116.25 118.91 3dcg h VAL 73 Ca 0.29 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.77 3dcg h VAL 73 Cb -0.02 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3dcg h VAL 73 CO -0.05 0.02 0.47 0.00 0.02 0.00 0.00 177.57 178.03 3dcg h MET 75 N 0.97 0.59 -0.40 0.00 2.07 -0.90 -2.53 114.93 114.73 3dcg h MET 75 Ca 0.26 -0.07 -0.02 0.00 -2.07 0.00 0.00 59.70 57.80 3dcg h MET 75 Cb -0.11 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.49 3dcg h MET 75 CO -0.06 0.48 0.16 -0.92 1.07 0.00 0.00 176.91 177.65 3dcg h TYR 76 N 0.59 0.61 -0.31 -0.22 3.20 -0.10 -1.03 116.97 119.71 3dcg h TYR 76 Ca 0.15 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.04 3dcg h TYR 76 Cb 0.11 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.12 3dcg h TYR 76 CO 0.01 0.54 -0.23 0.74 -1.64 0.00 0.00 178.16 177.57 3dcg h PHE 77 N 0.50 -0.60 -0.41 -3.82 0.04 -0.92 0.19 116.94 111.92 3dcg h PHE 77 Ca 0.13 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.90 3dcg h PHE 77 Cb 0.18 0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 3dcg h PHE 77 CO -0.00 -0.31 0.08 1.15 -0.60 0.00 0.00 178.31 178.63 3dcg h THR 78 N -0.20 1.24 -0.70 -1.55 2.02 -1.45 -1.07 112.91 111.20 3dcg h THR 78 Ca 0.16 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 3dcg h THR 78 Cb 0.45 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3dcg h THR 78 CO -0.43 0.29 0.39 0.22 0.37 0.00 0.00 175.52 176.36 3dcg h TYR 79 N 0.52 0.95 -0.13 3.16 3.20 -0.91 -1.66 116.97 122.10 3dcg h TYR 79 Ca 0.13 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3dcg h TYR 79 Cb 0.35 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 3dcg h TYR 79 CO 0.02 0.67 -0.06 -0.22 -1.64 0.00 0.00 178.16 176.94 3dcg h LYS 80 N 0.96 0.28 -0.78 1.82 3.64 -0.43 -1.29 116.57 120.77 3dcg h LYS 80 Ca 0.25 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3dcg h LYS 80 Cb 0.03 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3dcg h LYS 80 CO -0.04 0.60 0.51 0.28 -2.27 0.00 0.00 179.45 178.53 3dcg h VAL 81 N -0.06 1.20 -0.01 2.00 2.07 -1.09 -0.87 116.25 119.49 3dcg h VAL 81 Ca 0.03 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 3dcg h VAL 81 Cb 0.51 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3dcg h VAL 81 CO 0.02 0.19 -0.44 -0.09 0.02 0.00 0.00 177.57 177.27 3dcg h ARG 82 N 1.05 0.32 -0.02 1.57 1.12 -1.26 -3.36 114.38 113.80 3dcg h ARG 82 Ca 0.28 -0.33 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 3dcg h ARG 82 Cb -0.12 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 29.93 3dcg h ARG 82 CO -0.06 1.02 -0.39 0.66 -3.11 0.00 0.00 179.97 178.09 3dcg n TYR 83 N -4.34 0.00 -2.19 2.20 4.01 -0.49 -4.73 117.16 111.62 3dcg n TYR 83 Ca -0.10 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.22 3dcg n TYR 83 Cb 0.59 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.59 3dcg n TYR 83 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3dcg s THR 84 N -2.40 3.88 -0.10 -0.72 -1.32 -0.34 -1.61 115.64 113.04 3dcg s THR 84 Ca 0.21 1.06 0.00 0.00 -1.21 0.00 0.00 61.69 61.75 3dcg s THR 84 Cb 0.18 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.47 3dcg s THR 84 CO 0.52 -0.12 0.00 0.59 -2.21 0.00 0.00 174.62 173.41 3dcg n ASN 85 N 7.02 -3.31 0.00 8.08 4.13 -1.26 -5.01 115.26 124.92 3dcg n ASN 85 Ca 0.16 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.44 3dcg n ASN 85 Cb 0.44 -0.89 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 3dcg n ASN 85 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3dcg n SER 86 N 0.63 0.00 -4.71 6.41 3.41 -0.63 -5.22 113.62 113.50 3dcg n SER 86 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 3dcg n SER 86 Cb 0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3dcg n SER 86 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3dcg s GLU 89 N 0.00 4.21 -0.17 4.33 1.03 -1.26 -5.14 118.70 121.70 3dcg s GLU 89 Ca 0.00 2.35 -0.21 0.00 0.03 0.00 0.00 54.97 57.14 3dcg s GLU 89 Cb 0.00 -3.28 -0.03 0.00 -0.80 0.00 0.00 34.13 30.02 3dcg s GLU 89 CO 0.00 -0.64 0.64 0.42 -1.33 0.00 0.00 175.26 174.34 3dcg s ILE 90 N 1.56 5.03 0.80 1.83 1.01 -1.26 -5.06 121.20 125.11 3dcg s ILE 90 Ca 0.71 1.23 -0.11 0.00 0.00 0.00 0.00 60.65 62.48 3dcg s ILE 90 Cb -0.43 -3.96 0.07 0.00 0.01 0.00 0.00 42.46 38.16 3dcg s ILE 90 CO 0.32 0.14 1.09 -2.16 0.00 0.00 0.00 174.94 174.33 3dcg s PRO 91 N 1.67 2.06 0.50 2.79 0.04 -1.26 -4.99 135.00 135.81 3dcg s PRO 91 Ca 0.30 1.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.15 3dcg s PRO 91 Cb -0.16 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 3dcg s PRO 91 CO 0.11 -1.74 1.20 -1.83 0.04 0.00 0.00 177.00 174.78 3dcg s GLU 92 N -4.94 3.52 -0.43 4.56 -1.05 -1.26 -5.00 118.70 114.09 3dcg s GLU 92 Ca 0.61 1.84 -0.17 0.00 -0.15 0.00 0.00 54.97 57.11 3dcg s GLU 92 Cb -0.17 -2.28 0.03 0.00 -0.44 0.00 0.00 34.13 31.27 3dcg s GLU 92 CO 0.56 -0.77 0.42 0.12 0.95 0.00 0.00 175.26 176.54 3dcg s PHE 93 N -1.53 3.18 0.00 4.83 5.36 -1.26 -5.05 117.98 123.51 3dcg s PHE 93 Ca 0.68 -0.50 -0.30 0.00 -0.96 0.00 0.00 56.93 55.84 3dcg s PHE 93 Cb -0.30 -2.93 -0.05 0.00 -0.34 0.00 0.00 43.02 39.40 3dcg s PHE 93 CO 0.36 -0.72 1.31 -2.14 -1.46 0.00 0.00 175.22 172.56 3dcg s PRO 94 N 2.03 4.33 -0.15 10.12 0.02 -1.26 -5.01 135.00 145.08 3dcg s PRO 94 Ca 0.10 1.85 -0.03 0.00 0.02 0.00 0.00 61.00 62.94 3dcg s PRO 94 Cb -0.18 -3.51 0.05 0.00 0.02 0.00 0.00 34.50 30.88 3dcg s PRO 94 CO 0.12 -0.48 0.05 0.42 -0.33 0.00 0.00 177.00 176.78 3dcg s ILE 95 N 2.04 0.23 0.23 2.83 1.01 -1.26 -5.12 121.20 121.16 3dcg s ILE 95 Ca 0.61 -0.22 -0.32 0.00 0.00 0.00 0.00 60.65 60.72 3dcg s ILE 95 Cb -0.29 -0.71 -0.12 0.00 0.01 0.00 0.00 42.46 41.34 3dcg s ILE 95 CO 0.26 -0.12 1.64 0.00 0.00 0.00 0.00 174.94 176.71 3dcg n ALA 96 N 5.17 2.37 0.08 9.38 0.00 -1.26 -4.87 120.51 131.38 3dcg n ALA 96 Ca -0.07 0.40 0.20 0.00 0.00 0.00 0.00 53.44 53.97 3dcg n ALA 96 Cb 0.48 -2.46 0.75 0.00 0.00 0.00 0.00 19.45 18.23 3dcg n ALA 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3dcg h PRO 97 N 5.86 0.00 0.00 0.00 0.11 -2.00 -1.69 132.00 134.27 3dcg h PRO 97 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 3dcg h PRO 97 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3dcg h PRO 97 CO 0.88 0.00 -0.18 0.93 -0.21 0.00 0.00 178.00 179.42 3dcg h GLU 98 N 0.00 0.00 -0.01 1.05 3.07 -2.06 -3.02 114.58 113.61 3dcg h GLU 98 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3dcg h GLU 98 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 3dcg h GLU 98 CO -0.00 0.18 -0.43 0.44 -1.40 0.00 0.00 179.01 177.80 3dcg n ILE 99 N -3.51 0.00 -0.17 3.13 -5.35 -0.65 -4.77 119.36 108.04 3dcg n ILE 99 Ca -0.01 -0.29 -0.07 0.00 -0.27 0.00 0.00 62.75 62.11 3dcg n ILE 99 Cb 0.34 1.14 0.02 0.00 -1.74 0.00 0.00 39.64 39.40 3dcg n ILE 99 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dcg h ALA 100 N 2.63 0.64 -0.26 -1.28 0.00 -1.39 -0.18 119.26 119.43 3dcg h ALA 100 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3dcg h ALA 100 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dcg h ALA 100 CO 0.00 0.13 0.04 1.25 0.00 0.00 0.00 179.25 180.67 3dcg h LEU 101 N 0.68 0.42 -1.08 0.00 5.85 -1.86 0.14 115.31 119.45 3dcg h LEU 101 Ca 0.18 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3dcg h LEU 101 Cb -0.00 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3dcg h LEU 101 CO -0.03 0.58 0.62 -0.33 -0.34 0.00 0.00 178.44 178.94 3dcg h GLU 102 N 0.24 1.21 -0.47 1.25 5.08 -1.86 -1.49 114.58 118.54 3dcg h GLU 102 Ca 0.08 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3dcg h GLU 102 Cb 0.34 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3dcg h GLU 102 CO 0.01 0.80 -0.10 1.25 -1.00 0.00 0.00 179.01 179.97 3dcg h LEU 103 N 1.24 0.90 0.12 1.33 6.46 -0.69 -1.14 115.31 123.53 3dcg h LEU 103 Ca 0.35 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 3dcg h LEU 103 Cb -0.10 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.57 3dcg h LEU 103 CO -0.09 1.04 -0.17 0.25 -0.62 0.00 0.00 178.44 178.86 3dcg h LEU 104 N 0.74 -0.46 -0.20 2.25 6.46 -0.45 0.20 115.31 123.86 3dcg h LEU 104 Ca 0.12 0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 3dcg h LEU 104 Cb 0.64 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 3dcg h LEU 104 CO 0.04 -0.24 -0.01 0.24 -0.62 0.00 0.00 178.44 177.85 3dcg h MET 105 N -0.34 0.05 0.08 1.25 2.86 -1.23 0.08 114.93 117.68 3dcg h MET 105 Ca 0.02 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3dcg h MET 105 Cb 0.34 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3dcg h MET 105 CO -0.08 0.03 -0.09 0.00 1.06 0.00 0.00 176.91 177.83 3dcg h ALA 106 N 1.18 -0.16 -0.96 6.32 0.00 -1.02 -0.98 119.26 123.64 3dcg h ALA 106 Ca 0.09 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dcg h ALA 106 Cb 0.12 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3dcg h ALA 106 CO -0.17 -0.61 0.63 0.00 0.00 0.00 0.00 179.25 179.11 3dcg h ALA 107 N 0.71 1.24 0.28 0.00 0.00 -0.44 0.16 119.26 121.22 3dcg h ALA 107 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dcg h ALA 107 Cb 0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3dcg h ALA 107 CO -0.04 0.58 -0.21 -0.97 0.00 0.00 0.00 179.25 178.61 3dcg h ASN 108 N 1.28 -0.54 -0.89 0.00 -1.24 -0.79 0.13 115.58 113.53 3dcg h ASN 108 Ca 0.36 0.04 0.12 0.00 0.71 0.00 0.00 56.30 57.53 3dcg h ASN 108 Cb -0.10 0.17 -0.08 0.00 0.73 0.00 0.00 38.32 39.04 3dcg h ASN 108 CO -0.09 -0.33 0.51 0.15 -1.29 0.00 0.00 177.43 176.39 3dcg h PHE 109 N -0.50 0.92 -0.00 0.67 3.57 -0.66 -2.16 116.94 118.79 3dcg h PHE 109 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3dcg h PHE 109 Cb 0.43 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3dcg h PHE 109 CO -0.12 0.33 -0.11 1.28 -2.23 0.00 0.00 178.31 177.46 3dcg n LEU 110 N -4.74 0.14 -3.40 0.59 4.77 0.52 -4.77 117.00 110.11 3dcg n LEU 110 Ca 0.16 0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 56.28 3dcg n LEU 110 Cb 0.35 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3dcg n LEU 110 CO 0.25 0.03 -0.00 -0.67 -1.33 0.00 0.00 177.39 175.67 3dcg n ASP 111 N -1.43 -6.01 0.00 -1.43 2.03 0.42 -2.74 116.55 107.39 3dcg n ASP 111 Ca 0.08 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.58 3dcg n ASP 111 Cb 0.32 -4.60 0.00 0.00 -0.72 0.00 0.00 41.12 36.13 3dcg n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28