#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cdf s THR 0 N 0.00 4.77 0.54 0.44 -4.23 -1.26 -5.02 115.64 110.88 3cdf s THR 0 Ca 0.00 0.89 -0.21 0.00 -1.18 0.00 0.00 61.69 61.19 3cdf s THR 0 Cb 0.00 -3.72 -0.06 0.00 1.34 0.00 0.00 72.50 70.06 3cdf s THR 0 CO 0.00 0.11 1.15 0.47 -0.54 0.00 0.00 174.62 175.81 3cdf n ASP 1 N 0.43 1.75 -4.68 3.99 8.00 -1.26 -4.89 116.55 119.88 3cdf n ASP 1 Ca -0.02 0.93 -0.42 0.00 0.71 0.00 0.00 54.79 55.99 3cdf n ASP 1 Cb 0.52 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.12 3cdf n ASP 1 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cdf s ILE 2 N -1.36 4.80 -0.08 0.53 1.01 -1.26 -5.01 121.20 119.83 3cdf s ILE 2 Ca 0.71 1.98 -0.19 0.00 0.00 0.00 0.00 60.65 63.15 3cdf s ILE 2 Cb -0.45 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 37.69 3cdf s ILE 2 CO 0.50 0.01 0.52 -1.58 0.00 0.00 0.00 174.94 174.39 3cdf s GLN 3 N 2.04 4.31 -0.24 2.79 0.74 -1.26 -4.75 119.66 123.29 3cdf s GLN 3 Ca 0.47 0.55 -0.06 0.00 0.05 0.00 0.00 55.36 56.37 3cdf s GLN 3 Cb -0.18 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.51 3cdf s GLN 3 CO 0.17 0.24 0.02 -1.64 -0.55 0.00 0.00 175.29 173.53 3cdf s MET 4 N 0.32 3.54 -0.44 1.67 -1.94 -1.26 -0.63 119.30 120.57 3cdf s MET 4 Ca 0.28 -0.54 -0.12 0.00 -1.71 0.00 0.00 55.69 53.60 3cdf s MET 4 Cb -0.16 -3.19 0.07 0.00 2.01 0.00 0.00 34.83 33.56 3cdf s MET 4 CO 0.13 -0.19 0.31 0.99 -0.01 0.00 0.00 175.02 176.25 3cdf s THR 5 N 1.56 4.68 -0.13 2.05 2.01 0.45 -4.37 115.64 121.89 3cdf s THR 5 Ca 0.06 -1.22 -0.07 0.00 0.31 0.00 0.00 61.69 60.77 3cdf s THR 5 Cb -0.15 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3cdf s THR 5 CO 0.01 -0.52 0.11 -1.58 -0.69 0.00 0.00 174.62 171.95 3cdf s GLN 6 N 1.53 3.53 -0.04 4.92 0.74 -1.26 -0.83 119.66 128.25 3cdf s GLN 6 Ca 0.03 -0.20 -0.06 0.00 0.05 0.00 0.00 55.36 55.18 3cdf s GLN 6 Cb -0.23 -3.17 0.01 0.00 1.10 0.00 0.00 33.01 30.72 3cdf s GLN 6 CO 0.04 0.65 0.16 0.45 -0.55 0.00 0.00 175.29 176.04 3cdf s SER 7 N -0.68 -0.11 0.83 6.67 0.15 -0.37 -4.61 113.70 115.59 3cdf s SER 7 Ca 0.13 0.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.85 3cdf s SER 7 Cb -0.12 0.30 0.16 0.00 -1.71 0.00 0.00 66.02 64.64 3cdf s SER 7 CO 0.02 -0.16 1.15 -2.16 1.20 0.00 0.00 173.24 173.30 3cdf s PRO 8 N -0.40 1.23 0.14 5.44 0.04 -1.26 -0.71 135.00 139.48 3cdf s PRO 8 Ca -0.05 -0.71 0.10 0.00 0.04 0.00 0.00 61.00 60.39 3cdf s PRO 8 Cb -0.03 -2.09 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 3cdf s PRO 8 CO 0.01 -1.89 1.22 0.66 0.04 0.00 0.00 177.00 177.04 3cdf h SER 9 N -1.06 0.00 -5.03 6.66 4.64 -1.82 -3.39 113.55 113.56 3cdf h SER 9 Ca -0.41 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.85 3cdf h SER 9 Cb 1.26 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.19 3cdf h SER 9 CO 0.41 0.84 0.02 -0.94 -0.87 0.00 0.00 176.83 176.28 3cdf s SER 10 N -6.50 -0.40 0.06 4.97 1.04 -1.26 -1.71 113.70 109.89 3cdf s SER 10 Ca 0.01 0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.30 3cdf s SER 10 Cb 0.09 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.75 3cdf s SER 10 CO 0.80 -0.74 0.52 -1.48 0.98 0.00 0.00 173.24 173.32 3cdf s LEU 11 N -2.12 -0.10 0.08 2.42 0.05 -0.66 -4.92 118.68 113.43 3cdf s LEU 11 Ca -0.04 0.16 0.10 0.00 0.05 0.00 0.00 54.13 54.39 3cdf s LEU 11 Cb -0.00 2.16 -0.03 0.00 -2.05 0.00 0.00 46.19 46.26 3cdf s LEU 11 CO -0.04 -0.74 -0.26 -0.94 -0.55 0.00 0.00 176.35 173.83 3cdf s SER 12 N -2.04 3.09 0.33 1.48 1.04 -1.26 -1.10 113.70 115.24 3cdf s SER 12 Ca -0.05 -0.65 -0.14 0.00 0.48 0.00 0.00 55.95 55.60 3cdf s SER 12 Cb -0.01 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.90 3cdf s SER 12 CO -0.03 0.20 0.66 0.00 0.98 0.00 0.00 173.24 175.06 3cdf s ALA 13 N -0.92 -0.50 0.29 5.32 0.00 -0.69 -4.81 121.76 120.45 3cdf s ALA 13 Ca 0.12 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3cdf s ALA 13 Cb -0.10 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 3cdf s ALA 13 CO 0.04 -0.94 0.46 -1.12 0.00 0.00 0.00 175.76 174.20 3cdf s SER 14 N -3.05 6.31 0.24 0.00 0.01 -1.26 -0.01 113.70 115.94 3cdf s SER 14 Ca 0.18 0.30 -0.31 0.00 1.31 0.00 0.00 55.95 57.44 3cdf s SER 14 Cb -0.04 -1.96 -0.14 0.00 0.21 0.00 0.00 66.02 64.09 3cdf s SER 14 CO 0.11 -0.19 1.31 0.52 0.41 0.00 0.00 173.24 175.41 3cdf n VAL 15 N -1.54 1.12 0.00 3.43 0.31 -1.26 -1.25 118.33 119.14 3cdf n VAL 15 Ca -0.06 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3cdf n VAL 15 Cb 0.56 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 3cdf n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cdf n GLY 16 N 1.92 2.30 3.77 2.92 0.00 0.17 -4.89 105.19 111.38 3cdf n GLY 16 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3cdf n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cdf s ASP 17 N -1.92 5.58 -0.02 1.61 1.01 -0.38 -3.87 116.67 118.68 3cdf s ASP 17 Ca 0.00 2.20 -0.30 0.00 0.71 0.00 0.00 52.55 55.16 3cdf s ASP 17 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3cdf s ASP 17 CO 0.00 -1.32 1.12 -0.60 0.21 0.00 0.00 175.17 174.58 3cdf s ARG 18 N -3.36 4.43 -0.16 8.23 3.52 -1.25 -0.62 118.95 129.75 3cdf s ARG 18 Ca 0.73 1.60 -0.02 0.00 -0.13 0.00 0.00 55.73 57.91 3cdf s ARG 18 Cb -0.25 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.65 3cdf s ARG 18 CO 0.29 -0.28 -0.08 0.08 -0.81 0.00 0.00 175.30 174.49 3cdf s VAL 19 N 1.60 3.37 -0.15 7.11 1.01 0.10 -4.98 120.40 128.46 3cdf s VAL 19 Ca 0.55 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3cdf s VAL 19 Cb -0.24 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.69 3cdf s VAL 19 CO 0.25 0.49 -0.20 -0.89 0.00 0.00 0.00 175.10 174.75 3cdf s THR 20 N 0.63 1.95 -0.03 3.92 2.01 -1.26 -1.18 115.64 121.68 3cdf s THR 20 Ca -0.05 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.11 3cdf s THR 20 Cb -0.15 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 3cdf s THR 20 CO 0.03 0.53 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.67 3cdf s ILE 21 N 1.01 1.45 0.20 1.82 1.01 -0.34 -4.67 121.20 121.68 3cdf s ILE 21 Ca -0.03 -0.75 0.10 0.00 0.00 0.00 0.00 60.65 59.97 3cdf s ILE 21 Cb -0.15 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 3cdf s ILE 21 CO -0.05 0.41 -0.16 0.42 0.00 0.00 0.00 174.94 175.56 3cdf s THR 22 N -0.20 2.79 -0.03 2.92 -4.23 0.11 -0.20 115.64 116.80 3cdf s THR 22 Ca 0.02 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 3cdf s THR 22 Cb -0.09 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.39 3cdf s THR 22 CO 0.01 -0.15 -0.02 0.00 -0.54 0.00 0.00 174.62 173.92 3cdf s GLN 24 N 0.83 3.07 0.06 0.00 0.74 -0.01 -0.38 119.66 123.96 3cdf s GLN 24 Ca -0.09 -0.86 -0.15 0.00 0.05 0.00 0.00 55.36 54.31 3cdf s GLN 24 Cb -0.12 -2.33 -0.06 0.00 1.10 0.00 0.00 33.01 31.60 3cdf s GLN 24 CO -0.01 0.19 0.47 0.00 -0.55 0.00 0.00 175.29 175.39 3cdf s ALA 25 N 0.33 3.65 -0.18 1.58 0.00 0.41 -0.41 121.76 127.15 3cdf s ALA 25 Ca -0.18 -0.18 0.29 0.00 0.00 0.00 0.00 51.96 51.89 3cdf s ALA 25 Cb -0.18 -2.44 1.22 0.00 0.00 0.00 0.00 23.12 21.72 3cdf s ALA 25 CO 0.09 0.48 1.85 0.66 0.00 0.00 0.00 175.76 178.83 3cdf h SER 26 N 4.22 0.00 -5.24 0.00 4.64 -1.21 -3.44 113.55 112.52 3cdf h SER 26 Ca -0.50 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.75 3cdf h SER 26 Cb 1.21 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.19 3cdf h SER 26 CO 0.64 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 176.43 3cdf s GLN 27 N -3.51 1.42 -0.10 4.77 -2.07 -1.26 -4.98 119.66 113.93 3cdf s GLN 27 Ca 0.02 -1.20 -0.29 0.00 -1.82 0.00 0.00 55.36 52.07 3cdf s GLN 27 Cb 0.09 0.45 -0.06 0.00 -1.09 0.00 0.00 33.01 32.40 3cdf s GLN 27 CO 0.44 -0.57 1.88 0.34 -1.32 0.00 0.00 175.29 176.06 3cdf s ASP 28 N -3.00 6.26 -0.17 12.60 -1.08 -1.26 -4.77 116.67 125.25 3cdf s ASP 28 Ca 0.20 2.16 0.17 0.00 -0.52 0.00 0.00 52.55 54.56 3cdf s ASP 28 Cb 0.01 -2.53 0.49 0.00 -1.46 0.00 0.00 42.92 39.43 3cdf s ASP 28 CO 0.06 -1.28 1.38 2.30 0.52 0.00 0.00 175.17 178.15 3cdf n ILE 29 N 6.23 2.19 0.00 4.11 -5.35 -0.08 -5.02 119.36 121.44 3cdf n ILE 29 Ca 0.21 -1.89 0.00 0.00 -0.27 0.00 0.00 62.75 60.80 3cdf n ILE 29 Cb 0.43 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 3cdf n ILE 29 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3cdf n SER 30 N -0.58 0.00 -1.04 7.28 2.88 -1.25 -1.40 113.62 119.51 3cdf n SER 30 Ca 0.20 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.82 3cdf n SER 30 Cb 0.84 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.58 3cdf n SER 30 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3cdf n ASN 31 N 5.15 4.05 -3.64 -3.46 3.02 -1.26 -1.10 115.26 118.02 3cdf n ASN 31 Ca 0.00 -3.05 -0.41 0.00 -0.03 0.00 0.00 54.58 51.09 3cdf n ASN 31 Cb 0.00 -0.57 -0.00 0.00 -0.61 0.00 0.00 39.78 38.60 3cdf n ASN 31 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3cdf n TYR 32 N -0.41 2.79 -4.03 3.10 4.01 -0.49 -3.00 117.16 119.13 3cdf n TYR 32 Ca 0.23 -2.85 -0.18 0.00 -0.16 0.00 0.00 57.90 54.94 3cdf n TYR 32 Cb 0.95 -2.01 -0.16 0.00 -0.31 0.00 0.00 39.34 37.80 3cdf n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3cdf s LEU 33 N -0.68 1.29 0.20 7.72 2.96 -1.26 -1.39 118.68 127.52 3cdf s LEU 33 Ca 0.49 -0.07 0.10 0.00 -0.22 0.00 0.00 54.13 54.43 3cdf s LEU 33 Cb 0.14 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.49 3cdf s LEU 33 CO -0.05 -0.07 -0.11 0.20 -1.32 0.00 0.00 176.35 175.00 3cdf s ASN 34 N 0.89 4.12 -0.08 3.68 0.01 0.18 0.10 114.94 123.84 3cdf s ASN 34 Ca -0.10 -0.67 0.04 0.00 -0.71 0.00 0.00 52.86 51.42 3cdf s ASN 34 Cb -0.13 -0.63 0.00 0.00 0.41 0.00 0.00 41.25 40.90 3cdf s ASN 34 CO -0.01 0.08 -0.22 0.26 -1.51 0.00 0.00 177.10 175.71 3cdf s TRP 35 N -1.87 2.28 0.11 2.20 0.52 0.78 -0.82 118.94 122.14 3cdf s TRP 35 Ca 0.26 -0.86 0.10 0.00 0.02 0.00 0.00 56.10 55.62 3cdf s TRP 35 Cb -0.08 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.67 3cdf s TRP 35 CO 0.15 -0.34 -0.26 0.71 0.02 0.00 0.00 176.95 177.23 3cdf s TYR 36 N 0.29 2.27 -0.17 -1.98 2.02 0.06 -0.76 117.35 119.08 3cdf s TYR 36 Ca -0.14 -0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.10 3cdf s TYR 36 Cb -0.16 -1.26 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3cdf s TYR 36 CO 0.07 0.29 0.07 -1.14 -1.57 0.00 0.00 175.55 173.27 3cdf s GLN 37 N -1.88 3.85 -0.19 -0.62 0.74 -0.31 -1.21 119.66 120.03 3cdf s GLN 37 Ca 0.13 -0.31 -0.00 0.00 0.05 0.00 0.00 55.36 55.23 3cdf s GLN 37 Cb -0.10 -3.19 0.01 0.00 1.10 0.00 0.00 33.01 30.83 3cdf s GLN 37 CO 0.05 0.38 -0.16 -1.14 -0.55 0.00 0.00 175.29 173.87 3cdf s GLN 38 N 0.08 3.10 0.15 1.67 2.00 0.14 -1.13 119.66 125.67 3cdf s GLN 38 Ca 0.06 -0.77 0.09 0.00 -2.00 0.00 0.00 55.36 52.73 3cdf s GLN 38 Cb -0.12 -2.68 -0.04 0.00 0.80 0.00 0.00 33.01 30.97 3cdf s GLN 38 CO 0.00 -0.19 -0.13 0.15 -0.50 0.00 0.00 175.29 174.62 3cdf s LYS 39 N 1.29 1.94 0.26 1.67 1.02 -1.26 -2.08 119.74 122.58 3cdf s LYS 39 Ca 0.04 -1.23 -0.31 0.00 0.02 0.00 0.00 55.97 54.50 3cdf s LYS 39 Cb -0.14 -2.14 -0.13 0.00 -0.52 0.00 0.00 37.83 34.90 3cdf s LYS 39 CO -0.09 0.46 1.44 -2.30 -0.92 0.00 0.00 175.35 173.93 3cdf n PRO 40 N 0.39 2.18 -0.99 -1.68 -0.02 -1.26 -2.58 135.00 131.04 3cdf n PRO 40 Ca -0.13 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3cdf n PRO 40 Cb 0.54 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3cdf n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cdf n GLY 41 N 2.09 0.84 3.57 -1.23 0.00 -1.26 -5.02 105.19 104.18 3cdf n GLY 41 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3cdf n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cdf s LYS 42 N -0.04 2.01 0.53 1.61 -0.14 -1.07 -5.11 119.74 117.52 3cdf s LYS 42 Ca 0.00 -1.61 -0.22 0.00 -1.36 0.00 0.00 55.97 52.78 3cdf s LYS 42 Cb 0.00 -1.96 -0.05 0.00 -1.68 0.00 0.00 37.83 34.14 3cdf s LYS 42 CO 0.00 0.32 1.32 0.00 -0.76 0.00 0.00 175.35 176.22 3cdf s ALA 43 N -2.43 2.84 0.02 5.17 0.00 -1.26 -4.77 121.76 121.33 3cdf s ALA 43 Ca 0.31 1.25 -0.37 0.00 0.00 0.00 0.00 51.96 53.16 3cdf s ALA 43 Cb -0.05 -3.53 -0.16 0.00 0.00 0.00 0.00 23.12 19.39 3cdf s ALA 43 CO 0.18 -1.23 1.50 -2.30 0.00 0.00 0.00 175.76 173.90 3cdf n PRO 44 N -0.94 1.42 -3.61 0.00 -0.02 -1.26 -4.77 135.00 125.81 3cdf n PRO 44 Ca 0.10 0.51 -0.37 0.00 -2.02 0.00 0.00 63.50 61.72 3cdf n PRO 44 Cb 0.46 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 3cdf n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3cdf s LYS 45 N 1.37 4.01 -0.05 -0.52 2.20 -0.28 -4.93 119.74 121.54 3cdf s LYS 45 Ca 0.86 -0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.89 3cdf s LYS 45 Cb -0.90 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 31.77 3cdf s LYS 45 CO 0.49 -0.07 1.36 -1.17 -0.36 0.00 0.00 175.35 175.60 3cdf s LEU 46 N 1.45 4.29 -0.23 5.43 2.96 -1.26 -1.16 118.68 130.15 3cdf s LEU 46 Ca 0.08 1.99 -0.08 0.00 -0.22 0.00 0.00 54.13 55.89 3cdf s LEU 46 Cb -0.15 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 3cdf s LEU 46 CO 0.08 -0.72 -0.28 0.18 -1.32 0.00 0.00 176.35 174.29 3cdf n LEU 47 N 5.74 1.98 -3.88 -0.68 4.77 0.06 -4.78 117.00 120.20 3cdf n LEU 47 Ca 0.13 0.19 -0.25 0.00 -0.03 0.00 0.00 56.01 56.05 3cdf n LEU 47 Cb 0.44 -0.71 -0.17 0.00 -2.33 0.00 0.00 43.42 40.65 3cdf n LEU 47 CO 0.58 0.58 -0.43 -0.63 -1.33 0.00 0.00 177.39 176.16 3cdf s ILE 48 N -2.43 0.83 0.18 -0.08 -1.09 -1.07 -1.22 121.20 116.31 3cdf s ILE 48 Ca -0.32 -0.19 0.10 0.00 -2.23 0.00 0.00 60.65 58.01 3cdf s ILE 48 Cb 0.11 -0.87 -0.04 0.00 -1.58 0.00 0.00 42.46 40.08 3cdf s ILE 48 CO 0.43 0.33 -0.15 -0.72 -1.23 0.00 0.00 174.94 173.60 3cdf s TYR 49 N 1.61 2.52 -1.44 3.97 1.13 0.21 -0.16 117.35 125.20 3cdf s TYR 49 Ca 0.02 -0.27 -0.04 0.00 -1.41 0.00 0.00 57.07 55.36 3cdf s TYR 49 Cb -0.13 -1.25 0.03 0.00 -1.10 0.00 0.00 41.96 39.52 3cdf s TYR 49 CO -0.06 0.50 0.62 -0.25 -2.51 0.00 0.00 175.55 173.85 3cdf n ASP 50 N 0.19 -1.55 0.00 -0.18 8.00 -1.04 -1.18 116.55 120.79 3cdf n ASP 50 Ca -0.12 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3cdf n ASP 50 Cb 0.55 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 3cdf n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cdf n ALA 51 N -4.41 0.00 -1.15 2.24 0.00 0.12 -4.17 120.51 113.14 3cdf n ALA 51 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3cdf n ALA 51 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3cdf n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cdf n SER 52 N 1.42 0.00 -4.72 0.00 3.41 -1.16 -3.12 113.62 109.46 3cdf n SER 52 Ca 0.00 -1.00 -0.37 0.00 -0.26 0.00 0.00 58.87 57.24 3cdf n SER 52 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3cdf n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3cdf s ASN 53 N 0.00 6.45 -0.13 4.04 -0.87 -0.32 -4.60 114.94 119.51 3cdf s ASN 53 Ca 0.00 0.52 -0.29 0.00 -1.57 0.00 0.00 52.86 51.52 3cdf s ASN 53 Cb 0.00 -2.19 -0.02 0.00 -0.02 0.00 0.00 41.25 39.02 3cdf s ASN 53 CO 0.00 0.07 1.18 -0.22 -2.57 0.00 0.00 177.10 175.56 3cdf s LEU 54 N 0.59 4.21 0.50 0.60 2.96 -1.26 -0.62 118.68 125.66 3cdf s LEU 54 Ca 0.17 1.68 -0.22 0.00 -0.22 0.00 0.00 54.13 55.55 3cdf s LEU 54 Cb -0.13 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.94 3cdf s LEU 54 CO 0.05 -0.65 1.17 -0.70 -1.32 0.00 0.00 176.35 174.90 3cdf s GLU 55 N 2.83 3.55 0.16 1.98 2.56 -0.36 -4.91 118.70 124.51 3cdf s GLU 55 Ca 0.53 1.76 -0.34 0.00 0.00 0.00 0.00 54.97 56.92 3cdf s GLU 55 Cb -0.22 -2.25 -0.14 0.00 2.00 0.00 0.00 34.13 33.53 3cdf s GLU 55 CO 0.16 -0.72 1.58 2.41 -0.56 0.00 0.00 175.26 178.13 3cdf n THR 56 N -0.83 0.00 -0.46 -1.70 -1.04 -1.26 -2.12 114.28 106.87 3cdf n THR 56 Ca 0.09 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3cdf n THR 56 Cb 0.49 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 3cdf n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cdf n GLY 57 N 3.41 1.15 3.79 3.41 0.00 -1.26 -5.03 105.19 110.66 3cdf n GLY 57 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3cdf n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cdf s VAL 58 N -3.10 4.91 0.39 1.61 1.01 -0.90 -5.03 120.40 119.29 3cdf s VAL 58 Ca 0.00 1.11 -0.26 0.00 0.00 0.00 0.00 61.98 62.83 3cdf s VAL 58 Cb 0.00 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 3cdf s VAL 58 CO 0.00 0.49 1.16 -2.65 0.00 0.00 0.00 175.10 174.09 3cdf n PRO 59 N 2.32 1.71 0.00 2.72 -0.02 -1.26 -4.87 135.00 135.60 3cdf n PRO 59 Ca -0.10 0.61 0.09 0.00 -2.02 0.00 0.00 63.50 62.08 3cdf n PRO 59 Cb 0.51 -2.20 0.40 0.00 -0.02 0.00 0.00 33.50 32.20 3cdf n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cdf n SER 60 N 0.54 0.00 0.27 2.55 3.41 -1.26 -2.26 113.62 116.87 3cdf n SER 60 Ca 0.07 0.45 0.18 0.00 -0.26 0.00 0.00 58.87 59.32 3cdf n SER 60 Cb 0.38 -0.48 0.91 0.00 -0.26 0.00 0.00 64.21 64.76 3cdf n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3cdf h ARG 61 N 0.00 0.00 -5.88 4.33 0.11 -1.94 -3.41 114.38 107.59 3cdf h ARG 61 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 3cdf h ARG 61 Cb 0.30 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.32 3cdf h ARG 61 CO 0.00 0.00 0.11 -0.06 0.10 0.00 0.00 179.97 180.12 3cdf s PHE 62 N -3.85 3.49 0.12 4.08 0.08 -0.96 -0.80 117.98 120.15 3cdf s PHE 62 Ca -0.02 1.12 -0.08 0.00 0.12 0.00 0.00 56.93 58.06 3cdf s PHE 62 Cb 0.10 -2.80 -0.01 0.00 -0.57 0.00 0.00 43.02 39.75 3cdf s PHE 62 CO 0.39 -0.02 0.22 -1.54 -0.10 0.00 0.00 175.22 174.17 3cdf s SER 63 N 0.93 0.10 0.04 1.36 1.04 -0.21 -4.93 113.70 112.04 3cdf s SER 63 Ca 0.34 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.97 3cdf s SER 63 Cb -0.17 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 3cdf s SER 63 CO 0.14 -0.80 0.02 -0.83 0.98 0.00 0.00 173.24 172.75 3cdf s GLY 64 N -2.92 0.33 0.20 7.32 0.00 -1.26 -1.06 107.32 109.93 3cdf s GLY 64 Ca 0.11 -0.89 -0.07 0.00 0.00 0.00 0.00 44.72 43.87 3cdf s GLY 64 CO -0.06 -1.01 0.28 -1.35 0.00 0.00 0.00 173.10 170.97 3cdf s SER 65 N -2.46 0.05 0.00 1.64 1.04 0.08 -4.28 113.70 109.77 3cdf s SER 65 Ca -0.00 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.34 3cdf s SER 65 Cb 0.02 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3cdf s SER 65 CO -0.07 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3cdf n GLY 66 N -0.28 3.14 3.44 7.32 0.00 -1.26 -1.41 105.19 116.15 3cdf n GLY 66 Ca -0.02 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 3cdf n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cdf s SER 67 N 0.00 -0.56 0.00 1.61 0.15 -1.26 -4.84 113.70 108.81 3cdf s SER 67 Ca 0.00 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.65 3cdf s SER 67 Cb 0.00 1.02 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 3cdf s SER 67 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80 3cdf n GLY 68 N 2.50 0.87 0.00 9.45 0.00 -0.26 -4.35 105.19 113.41 3cdf n GLY 68 Ca -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3cdf n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cdf n THR 69 N 0.00 0.00 -3.91 2.61 -2.24 -1.26 -0.90 114.28 108.58 3cdf n THR 69 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 3cdf n THR 69 Cb 0.00 -0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.05 3cdf n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3cdf s ASP 70 N -1.87 4.60 0.09 3.42 -0.00 -1.26 -0.44 116.67 121.21 3cdf s ASP 70 Ca 0.00 -0.92 0.09 0.00 -0.00 0.00 0.00 52.55 51.72 3cdf s ASP 70 Cb 0.00 -1.72 -0.03 0.00 -0.00 0.00 0.00 42.92 41.17 3cdf s ASP 70 CO 0.00 -0.17 -0.23 -0.36 -0.00 0.00 0.00 175.17 174.41 3cdf s PHE 71 N 1.35 1.97 -0.04 4.23 0.08 0.48 -3.98 117.98 122.07 3cdf s PHE 71 Ca -0.00 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.67 3cdf s PHE 71 Cb -0.17 -1.10 0.01 0.00 -0.57 0.00 0.00 43.02 41.19 3cdf s PHE 71 CO -0.02 0.21 -0.09 0.99 -0.10 0.00 0.00 175.22 176.21 3cdf s THR 72 N -1.04 0.84 -0.07 0.64 2.01 -0.50 -0.67 115.64 116.85 3cdf s THR 72 Ca 0.09 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.76 3cdf s THR 72 Cb -0.10 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 3cdf s THR 72 CO 0.04 0.27 -0.11 0.12 -0.69 0.00 0.00 174.62 174.26 3cdf s PHE 73 N 0.48 2.82 -0.01 4.92 5.36 0.72 -0.74 117.98 131.52 3cdf s PHE 73 Ca -0.08 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 55.79 3cdf s PHE 73 Cb -0.12 -1.70 -0.01 0.00 -0.34 0.00 0.00 43.02 40.86 3cdf s PHE 73 CO 0.01 0.20 -0.11 0.99 -1.46 0.00 0.00 175.22 174.85 3cdf s THR 74 N -0.62 0.89 -0.33 0.12 2.01 -0.23 -1.20 115.64 116.28 3cdf s THR 74 Ca 0.09 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 3cdf s THR 74 Cb -0.11 -0.75 0.04 0.00 0.01 0.00 0.00 72.50 71.69 3cdf s THR 74 CO 0.01 0.26 0.09 -0.63 -0.69 0.00 0.00 174.62 173.66 3cdf s ILE 75 N -0.19 3.62 0.24 1.82 1.01 -0.32 -1.04 121.20 126.33 3cdf s ILE 75 Ca 0.03 -1.21 0.19 0.00 0.00 0.00 0.00 60.65 59.66 3cdf s ILE 75 Cb -0.05 -3.07 0.15 0.00 0.01 0.00 0.00 42.46 39.50 3cdf s ILE 75 CO -0.00 -0.18 1.79 0.77 0.00 0.00 0.00 174.94 177.32 3cdf h SER 76 N 8.17 0.00 -2.34 3.58 4.64 -1.26 0.32 113.55 126.66 3cdf h SER 76 Ca -0.22 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.82 3cdf h SER 76 Cb 1.08 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.83 3cdf h SER 76 CO 0.59 0.35 -0.59 -0.94 -0.87 0.00 0.00 176.83 175.37 3cdf s SER 77 N -6.48 1.08 0.08 4.97 1.04 -1.25 -3.84 113.70 109.29 3cdf s SER 77 Ca -0.01 -0.11 -0.31 0.00 0.48 0.00 0.00 55.95 56.00 3cdf s SER 77 Cb 0.12 0.58 -0.08 0.00 0.10 0.00 0.00 66.02 66.74 3cdf s SER 77 CO 0.68 -0.32 1.61 -0.22 0.98 0.00 0.00 173.24 175.97 3cdf s LEU 78 N 2.39 4.36 0.22 2.42 2.96 0.21 -4.66 118.68 126.58 3cdf s LEU 78 Ca 0.09 2.47 0.09 0.00 -0.22 0.00 0.00 54.13 56.56 3cdf s LEU 78 Cb -0.16 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3cdf s LEU 78 CO -0.14 -0.86 -0.03 -1.10 -1.32 0.00 0.00 176.35 172.91 3cdf s GLN 79 N 2.35 2.25 0.37 1.98 -1.52 -1.26 0.44 119.66 124.28 3cdf s GLN 79 Ca 0.72 -1.30 0.11 0.00 -1.95 0.00 0.00 55.36 52.93 3cdf s GLN 79 Cb -0.40 -2.21 0.87 0.00 -0.22 0.00 0.00 33.01 31.06 3cdf s GLN 79 CO 0.32 0.41 1.87 -1.35 -0.25 0.00 0.00 175.29 176.28 3cdf h PRO 80 N 2.36 0.61 0.00 2.91 0.11 -1.99 0.23 132.00 136.23 3cdf h PRO 80 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3cdf h PRO 80 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3cdf h PRO 80 CO 0.58 0.40 0.00 -0.85 -0.21 0.00 0.00 178.00 177.93 3cdf n GLU 81 N -4.55 0.01 0.00 1.05 0.00 -1.26 -2.40 120.64 113.49 3cdf n GLU 81 Ca 0.17 0.28 0.13 0.00 0.00 0.00 0.00 57.16 57.75 3cdf n GLU 81 Cb 0.50 -1.52 0.44 0.00 0.00 0.00 0.00 31.44 30.86 3cdf n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3cdf n ASP 82 N -1.55 1.05 -4.65 -1.84 8.00 0.07 -4.86 116.55 112.77 3cdf n ASP 82 Ca 0.03 -0.98 -0.42 0.00 0.71 0.00 0.00 54.79 54.13 3cdf n ASP 82 Cb 0.16 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 3cdf n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cdf s ILE 83 N -2.39 3.55 -0.00 0.53 -1.09 -1.01 -4.83 121.20 115.96 3cdf s ILE 83 Ca 0.28 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.36 3cdf s ILE 83 Cb 0.20 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 3cdf s ILE 83 CO 0.47 -0.09 0.00 0.00 -1.23 0.00 0.00 174.94 174.09 3cdf n ALA 84 N 7.47 0.00 -2.66 9.38 0.00 -1.26 -5.00 120.51 128.45 3cdf n ALA 84 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 3cdf n ALA 84 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 3cdf n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cdf s THR 85 N -2.09 4.11 0.01 0.00 2.01 -0.88 -1.70 115.64 117.10 3cdf s THR 85 Ca 0.00 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 61.65 3cdf s THR 85 Cb 0.00 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 3cdf s THR 85 CO 0.00 0.52 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.88 3cdf s TYR 86 N -0.95 2.24 0.03 4.92 1.51 -0.41 0.23 117.35 124.92 3cdf s TYR 86 Ca 0.15 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.84 3cdf s TYR 86 Cb -0.11 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 3cdf s TYR 86 CO 0.05 0.04 -0.13 -1.01 -1.11 0.00 0.00 175.55 173.39 3cdf s HIS 87 N -0.69 1.11 0.21 2.71 3.76 -0.35 -1.03 115.29 121.01 3cdf s HIS 87 Ca 0.10 -0.32 -0.14 0.00 -0.15 0.00 0.00 55.06 54.55 3cdf s HIS 87 Cb -0.10 -0.67 -0.08 0.00 1.11 0.00 0.00 32.58 32.84 3cdf s HIS 87 CO 0.01 0.01 0.62 0.00 -0.85 0.00 0.00 174.74 174.53 3cdf s GLN 89 N -2.34 0.00 0.03 0.00 0.74 0.00 -0.05 119.66 118.05 3cdf s GLN 89 Ca 0.44 0.12 -0.10 0.00 0.05 0.00 0.00 55.36 55.87 3cdf s GLN 89 Cb -0.14 -0.20 -0.05 0.00 1.10 0.00 0.00 33.01 33.72 3cdf s GLN 89 CO 0.20 -0.12 0.35 1.14 -0.55 0.00 0.00 175.29 176.31 3cdf s GLN 90 N 0.75 3.73 -0.10 1.67 1.03 -0.26 -0.65 119.66 125.84 3cdf s GLN 90 Ca -0.06 0.16 0.17 0.00 0.04 0.00 0.00 55.36 55.67 3cdf s GLN 90 Cb -0.09 -3.09 0.39 0.00 0.03 0.00 0.00 33.01 30.25 3cdf s GLN 90 CO -0.02 0.63 1.18 2.48 -2.54 0.00 0.00 175.29 177.02 3cdf n TYR 91 N 1.28 0.00 -0.17 9.60 4.11 -0.49 -2.92 117.16 128.57 3cdf n TYR 91 Ca -0.11 -0.95 -0.04 0.00 -0.00 0.00 0.00 57.90 56.80 3cdf n TYR 91 Cb 0.53 -0.19 0.14 0.00 -0.00 0.00 0.00 39.34 39.82 3cdf n TYR 91 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 3cdf h ASP 92 N 0.88 0.86 -3.28 9.48 3.58 -1.86 -3.45 116.42 122.63 3cdf h ASP 92 Ca -0.10 -0.17 -0.08 0.00 0.42 0.00 0.00 57.03 57.10 3cdf h ASP 92 Cb 1.42 -0.23 -0.25 0.00 1.72 0.00 0.00 39.33 41.99 3cdf h ASP 92 CO 0.04 0.85 -0.19 0.21 -2.88 0.00 0.00 179.24 177.28 3cdf s ASN 93 N -6.55 -0.63 0.43 2.28 2.47 -1.26 -5.14 114.94 106.54 3cdf s ASN 93 Ca -0.10 1.07 -0.26 0.00 0.42 0.00 0.00 52.86 53.99 3cdf s ASN 93 Cb 0.15 0.97 -0.09 0.00 -1.45 0.00 0.00 41.25 40.83 3cdf s ASN 93 CO 0.82 -0.20 1.46 -0.76 -3.72 0.00 0.00 177.10 174.70 3cdf s LEU 94 N 1.27 4.18 0.27 3.21 1.43 -1.26 -3.68 118.68 124.09 3cdf s LEU 94 Ca -0.08 3.00 -0.30 0.00 -1.03 0.00 0.00 54.13 55.72 3cdf s LEU 94 Cb -0.07 -3.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.22 3cdf s LEU 94 CO -0.12 -1.09 1.06 -2.16 0.23 0.00 0.00 176.35 174.26 3cdf s PRO 95 N -2.34 4.70 0.23 1.29 0.04 -1.26 -5.03 135.00 132.63 3cdf s PRO 95 Ca 0.58 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 3cdf s PRO 95 Cb -0.45 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 30.78 3cdf s PRO 95 CO 0.60 0.29 1.25 0.71 0.04 0.00 0.00 177.00 179.88 3cdf s TYR 96 N -1.13 3.31 0.05 0.56 2.02 -1.24 -4.74 117.35 116.18 3cdf s TYR 96 Ca 0.44 1.38 0.05 0.00 -0.37 0.00 0.00 57.07 58.57 3cdf s TYR 96 Cb -0.30 -3.52 -0.02 0.00 -0.40 0.00 0.00 41.96 37.71 3cdf s TYR 96 CO 0.38 -1.50 -0.15 0.95 -1.57 0.00 0.00 175.55 173.67 3cdf s THR 97 N -0.35 1.19 0.13 -0.71 -4.23 -1.15 -4.97 115.64 105.56 3cdf s THR 97 Ca 0.52 -1.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 3cdf s THR 97 Cb -0.35 -1.09 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 3cdf s THR 97 CO 0.41 -0.01 0.07 -0.36 -0.54 0.00 0.00 174.62 174.19 3cdf s PHE 98 N -0.92 3.06 0.90 3.99 0.08 -1.26 -1.10 117.98 122.73 3cdf s PHE 98 Ca 0.02 -0.03 -0.12 0.00 0.12 0.00 0.00 56.93 56.92 3cdf s PHE 98 Cb -0.08 -1.51 0.13 0.00 -0.57 0.00 0.00 43.02 40.99 3cdf s PHE 98 CO 0.02 0.51 1.10 0.20 -0.10 0.00 0.00 175.22 176.95 3cdf s GLY 99 N -2.76 1.60 0.56 4.36 0.00 0.93 -4.51 107.32 107.49 3cdf s GLY 99 Ca 0.29 -0.24 0.33 0.00 0.00 0.00 0.00 44.72 45.10 3cdf s GLY 99 CO 0.21 0.28 2.07 0.06 0.00 0.00 0.00 173.10 175.72 3cdf h GLN 100 N -1.53 0.00 0.00 2.90 3.07 -1.86 -3.44 115.11 114.26 3cdf h GLN 100 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.24 3cdf h GLN 100 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 3cdf h GLN 100 CO 0.57 0.06 0.00 0.41 0.09 0.00 0.00 178.83 179.96 3cdf n GLY 101 N -0.37 2.43 2.85 0.06 0.00 -1.26 -5.05 105.19 103.85 3cdf n GLY 101 Ca -0.01 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.90 3cdf n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cdf s THR 102 N -2.61 0.83 -0.19 2.61 2.01 -0.19 -4.44 115.64 113.66 3cdf s THR 102 Ca 0.00 -0.28 -0.18 0.00 0.31 0.00 0.00 61.69 61.54 3cdf s THR 102 Cb 0.00 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 3cdf s THR 102 CO 0.00 0.24 0.50 -0.75 -0.69 0.00 0.00 174.62 173.92 3cdf s LYS 103 N 1.78 4.21 0.02 4.92 2.20 -0.69 -1.29 119.74 130.88 3cdf s LYS 103 Ca 0.04 0.39 -0.08 0.00 -0.36 0.00 0.00 55.97 55.95 3cdf s LYS 103 Cb -0.13 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 3cdf s LYS 103 CO -0.07 -0.09 0.31 -0.51 -0.36 0.00 0.00 175.35 174.62 3cdf s LEU 104 N 1.46 4.38 0.06 5.43 1.43 -0.69 -1.65 118.68 129.10 3cdf s LEU 104 Ca 0.24 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 3cdf s LEU 104 Cb -0.15 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 3cdf s LEU 104 CO 0.09 0.25 -0.06 -1.61 0.23 0.00 0.00 176.35 175.25 3cdf s GLU 105 N -1.68 0.61 0.04 1.70 2.02 -0.26 -4.20 118.70 116.93 3cdf s GLU 105 Ca 0.28 -0.98 -0.30 0.00 0.02 0.00 0.00 54.97 53.99 3cdf s GLU 105 Cb -0.14 -0.18 -0.04 0.00 0.10 0.00 0.00 34.13 33.88 3cdf s GLU 105 CO 0.16 0.00 1.00 0.42 0.02 0.00 0.00 175.26 176.86 3cdf s ILE 106 N -2.36 4.68 -1.60 -1.63 -1.09 -1.26 -1.70 121.20 116.24 3cdf s ILE 106 Ca -0.02 2.00 0.00 0.00 -2.23 0.00 0.00 60.65 60.40 3cdf s ILE 106 Cb -0.03 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 3cdf s ILE 106 CO -0.02 0.20 0.40 1.17 -1.23 0.00 0.00 174.94 175.45