#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cdf s ASP 1 N 0.00 4.45 0.00 1.09 1.01 -1.26 -4.94 116.67 117.02 3cdf s ASP 1 Ca 0.00 2.51 -0.30 0.00 0.71 0.00 0.00 52.55 55.47 3cdf s ASP 1 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3cdf s ASP 1 CO 0.00 -2.10 1.12 -0.63 0.21 0.00 0.00 175.17 173.76 3cdf s ILE 2 N -1.63 4.40 -0.18 0.77 1.01 -1.26 -5.00 121.20 119.31 3cdf s ILE 2 Ca 0.79 1.72 -0.17 0.00 0.00 0.00 0.00 60.65 62.99 3cdf s ILE 2 Cb -0.34 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 3cdf s ILE 2 CO 0.41 0.09 0.44 -1.10 0.00 0.00 0.00 174.94 174.79 3cdf s GLN 3 N 1.39 4.23 -0.23 2.79 -1.52 -1.26 -4.75 119.66 120.30 3cdf s GLN 3 Ca 0.55 0.31 -0.07 0.00 -1.95 0.00 0.00 55.36 54.19 3cdf s GLN 3 Cb -0.25 -3.51 -0.03 0.00 -0.22 0.00 0.00 33.01 29.00 3cdf s GLN 3 CO 0.26 0.00 0.07 -1.64 -0.25 0.00 0.00 175.29 173.74 3cdf s MET 4 N 1.16 3.76 -0.31 2.91 -1.94 -1.26 -0.96 119.30 122.66 3cdf s MET 4 Ca 0.22 -0.43 -0.04 0.00 -1.71 0.00 0.00 55.69 53.72 3cdf s MET 4 Cb -0.15 -3.31 0.04 0.00 2.01 0.00 0.00 34.83 33.42 3cdf s MET 4 CO 0.09 -0.06 0.04 0.99 -0.01 0.00 0.00 175.02 176.07 3cdf s THR 5 N 1.28 3.41 -0.03 2.05 2.01 0.47 -4.51 115.64 120.32 3cdf s THR 5 Ca 0.05 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 60.89 3cdf s THR 5 Cb -0.15 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 3cdf s THR 5 CO 0.04 -0.08 0.01 -1.58 -0.69 0.00 0.00 174.62 172.31 3cdf s GLN 6 N 1.35 2.88 -0.06 4.92 0.74 -1.26 -0.98 119.66 127.25 3cdf s GLN 6 Ca -0.02 -0.52 -0.13 0.00 0.05 0.00 0.00 55.36 54.73 3cdf s GLN 6 Cb -0.19 -2.73 0.03 0.00 1.10 0.00 0.00 33.01 31.22 3cdf s GLN 6 CO 0.01 0.66 0.32 0.45 -0.55 0.00 0.00 175.29 176.17 3cdf s SER 7 N -1.32 -0.25 0.79 6.67 0.15 -0.41 -4.70 113.70 114.63 3cdf s SER 7 Ca 0.17 0.33 -0.05 0.00 0.70 0.00 0.00 55.95 57.11 3cdf s SER 7 Cb -0.11 0.47 0.12 0.00 -1.71 0.00 0.00 66.02 64.78 3cdf s SER 7 CO 0.08 -0.31 0.76 -0.81 1.20 0.00 0.00 173.24 174.16 3cdf n PRO 8 N 1.97 -0.30 0.11 5.44 -0.04 -1.26 -1.09 135.00 139.82 3cdf n PRO 8 Ca -0.18 -1.62 -0.21 0.00 -0.04 0.00 0.00 63.50 61.45 3cdf n PRO 8 Cb 0.57 -0.65 -0.15 0.00 -0.04 0.00 0.00 33.50 33.23 3cdf n PRO 8 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3cdf h SER 9 N -0.73 0.65 -5.05 3.54 0.02 -1.84 -3.38 113.55 106.76 3cdf h SER 9 Ca -0.25 -0.77 -0.09 0.00 -0.84 0.00 0.00 61.79 59.84 3cdf h SER 9 Cb 0.80 -0.21 -0.17 0.00 0.14 0.00 0.00 62.40 62.96 3cdf h SER 9 CO 0.22 1.62 -0.19 -0.94 -1.14 0.00 0.00 176.83 176.40 3cdf s SER 10 N -7.34 -0.19 0.04 3.07 1.04 -1.26 -1.26 113.70 107.80 3cdf s SER 10 Ca -0.10 -0.12 -0.15 0.00 0.48 0.00 0.00 55.95 56.07 3cdf s SER 10 Cb 0.05 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.58 3cdf s SER 10 CO 0.90 -0.64 0.33 -1.48 0.98 0.00 0.00 173.24 173.33 3cdf s LEU 11 N -2.05 0.77 -0.03 2.42 0.05 -0.31 -4.91 118.68 114.62 3cdf s LEU 11 Ca -0.05 -0.15 0.04 0.00 0.05 0.00 0.00 54.13 54.02 3cdf s LEU 11 Cb -0.01 1.44 -0.03 0.00 -2.05 0.00 0.00 46.19 45.54 3cdf s LEU 11 CO -0.03 -0.63 -0.15 -0.44 -0.55 0.00 0.00 176.35 174.56 3cdf s SER 12 N -2.06 4.01 0.28 1.48 0.01 -1.26 -1.13 113.70 115.03 3cdf s SER 12 Ca -0.05 -0.23 -0.13 0.00 1.31 0.00 0.00 55.95 56.85 3cdf s SER 12 Cb -0.01 -0.81 0.01 0.00 0.21 0.00 0.00 66.02 65.41 3cdf s SER 12 CO -0.03 0.33 0.54 0.00 0.41 0.00 0.00 173.24 174.49 3cdf s ALA 13 N -0.78 -0.28 0.10 1.44 0.00 -0.64 -4.78 121.76 116.83 3cdf s ALA 13 Ca 0.12 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3cdf s ALA 13 Cb -0.11 1.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 3cdf s ALA 13 CO 0.02 -0.88 0.13 -1.12 0.00 0.00 0.00 175.76 173.90 3cdf s SER 14 N -3.04 5.72 0.20 0.00 0.01 -1.26 -0.26 113.70 115.07 3cdf s SER 14 Ca 0.21 0.03 -0.32 0.00 1.31 0.00 0.00 55.95 57.18 3cdf s SER 14 Cb -0.02 -1.59 -0.15 0.00 0.21 0.00 0.00 66.02 64.48 3cdf s SER 14 CO 0.11 0.15 1.27 0.52 0.41 0.00 0.00 173.24 175.69 3cdf n VAL 15 N 0.21 0.88 0.00 3.43 0.31 -1.26 -0.68 118.33 121.22 3cdf n VAL 15 Ca -0.08 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3cdf n VAL 15 Cb 0.52 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 2.11 1.42 3.85 2.92 0.00 0.25 -4.90 105.19 110.85 3cdf n GLY 16 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.41 6.58 -0.08 1.61 1.01 0.14 -4.25 116.67 119.27 3cdf s ASP 17 Ca 0.00 1.49 -0.26 0.00 0.71 0.00 0.00 52.55 54.49 3cdf s ASP 17 Cb 0.00 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 3cdf s ASP 17 CO 0.00 -0.58 0.81 -0.60 0.21 0.00 0.00 175.17 175.01 3cdf s ARG 18 N -4.11 4.42 -0.13 8.23 3.52 -1.24 -0.43 118.95 129.20 3cdf s ARG 18 Ca 0.57 1.05 -0.02 0.00 -0.13 0.00 0.00 55.73 57.21 3cdf s ARG 18 Cb -0.10 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 3cdf s ARG 18 CO 0.33 -0.09 -0.06 0.08 -0.81 0.00 0.00 175.30 174.75 3cdf s VAL 19 N 1.29 3.72 -0.08 7.11 1.01 0.09 -4.98 120.40 128.56 3cdf s VAL 19 Ca 0.41 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 3cdf s VAL 19 Cb -0.18 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.64 3cdf s VAL 19 CO 0.19 0.53 -0.04 -0.89 0.00 0.00 0.00 175.10 174.89 3cdf s THR 20 N -0.00 0.64 0.02 3.92 2.01 -1.26 -0.66 115.64 120.31 3cdf s THR 20 Ca -0.00 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.00 3cdf s THR 20 Cb -0.13 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 3cdf s THR 20 CO 0.03 0.29 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.40 3cdf s ILE 21 N 1.66 1.81 0.25 1.82 1.01 0.15 -4.76 121.20 123.13 3cdf s ILE 21 Ca 0.02 -1.14 0.12 0.00 0.00 0.00 0.00 60.65 59.64 3cdf s ILE 21 Cb -0.13 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 3cdf s ILE 21 CO -0.05 0.36 -0.21 0.42 0.00 0.00 0.00 174.94 175.46 3cdf s THR 22 N -0.69 2.38 -0.08 2.92 -4.23 -0.25 -0.54 115.64 115.15 3cdf s THR 22 Ca 0.09 -2.27 -0.03 0.00 -1.18 0.00 0.00 61.69 58.30 3cdf s THR 22 Cb -0.09 -2.22 0.04 0.00 1.34 0.00 0.00 72.50 71.57 3cdf s THR 22 CO 0.01 -0.32 0.17 0.00 -0.54 0.00 0.00 174.62 173.94 3cdf s GLN 24 N 1.51 2.53 -0.00 0.00 0.74 -0.15 -0.90 119.66 123.38 3cdf s GLN 24 Ca -0.06 -0.68 -0.01 0.00 0.05 0.00 0.00 55.36 54.66 3cdf s GLN 24 Cb -0.12 -2.41 -0.04 0.00 1.10 0.00 0.00 33.01 31.55 3cdf s GLN 24 CO -0.06 0.63 0.11 0.00 -0.55 0.00 0.00 175.29 175.42 3cdf s ALA 25 N -0.75 3.70 -0.76 1.58 0.00 0.30 -0.39 121.76 125.45 3cdf s ALA 25 Ca 0.12 -0.84 0.20 0.00 0.00 0.00 0.00 51.96 51.43 3cdf s ALA 25 Cb -0.11 -1.67 0.83 0.00 0.00 0.00 0.00 23.12 22.17 3cdf s ALA 25 CO 0.01 0.71 1.62 -1.13 0.00 0.00 0.00 175.76 176.97 3cdf n SER 26 N 1.08 0.34 -3.89 0.00 3.41 -0.13 -4.77 113.62 109.66 3cdf n SER 26 Ca -0.12 0.58 -0.11 0.00 -0.26 0.00 0.00 58.87 58.96 3cdf n SER 26 Cb 0.53 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.77 3cdf n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cdf s GLN 27 N -3.15 1.56 -0.04 4.33 -2.07 -1.26 -4.98 119.66 114.06 3cdf s GLN 27 Ca 0.06 -1.41 -0.30 0.00 -1.82 0.00 0.00 55.36 51.90 3cdf s GLN 27 Cb 0.10 0.43 -0.05 0.00 -1.09 0.00 0.00 33.01 32.40 3cdf s GLN 27 CO 0.36 -0.63 1.56 0.34 -1.32 0.00 0.00 175.29 175.60 3cdf s ASP 28 N -3.08 6.73 -0.14 12.60 -1.08 -1.26 -4.67 116.67 125.77 3cdf s ASP 28 Ca 0.27 2.19 0.16 0.00 -0.52 0.00 0.00 52.55 54.64 3cdf s ASP 28 Cb 0.01 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.32 3cdf s ASP 28 CO 0.11 -0.86 1.29 2.30 0.52 0.00 0.00 175.17 178.53 3cdf n ILE 29 N 5.19 1.97 0.00 4.11 -5.35 0.05 -5.00 119.36 120.33 3cdf n ILE 29 Ca 0.16 -1.88 0.00 0.00 -0.27 0.00 0.00 62.75 60.75 3cdf n ILE 29 Cb 0.43 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 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 -0.74 0.00 -0.73 7.28 2.88 -1.25 -1.37 113.62 119.69 3cdf n SER 30 Ca 0.17 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.78 3cdf n SER 30 Cb 0.73 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.37 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 8.77 3.21 -3.78 -3.46 3.02 -1.26 -0.19 115.26 121.57 3cdf n ASN 31 Ca 0.00 -2.25 -0.42 0.00 -0.03 0.00 0.00 54.58 51.88 3cdf n ASN 31 Cb 0.00 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 0.29 3.09 -4.41 3.10 4.01 -0.47 -2.42 117.16 120.35 3cdf n TYR 32 Ca 0.14 -2.86 -0.23 0.00 -0.16 0.00 0.00 57.90 54.79 3cdf n TYR 32 Cb 0.55 -2.16 -0.17 0.00 -0.31 0.00 0.00 39.34 37.25 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 0.55 1.52 0.11 7.72 2.96 -1.26 -1.25 118.68 129.02 3cdf s LEU 33 Ca 0.44 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 3cdf s LEU 33 Cb 0.12 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 3cdf s LEU 33 CO -0.03 -0.00 0.11 0.20 -1.32 0.00 0.00 176.35 175.31 3cdf s ASN 34 N 0.80 5.61 -0.09 3.68 0.01 0.60 -0.90 114.94 124.65 3cdf s ASN 34 Ca -0.12 -0.02 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 3cdf s ASN 34 Cb -0.15 -1.52 0.01 0.00 0.41 0.00 0.00 41.25 40.00 3cdf s ASN 34 CO 0.02 0.13 -0.15 0.26 -1.51 0.00 0.00 177.10 175.85 3cdf s TRP 35 N -1.53 1.82 0.15 2.20 0.52 0.45 -0.33 118.94 122.21 3cdf s TRP 35 Ca 0.30 -0.76 0.08 0.00 0.02 0.00 0.00 56.10 55.75 3cdf s TRP 35 Cb -0.11 -1.30 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 3cdf s TRP 35 CO 0.23 -0.37 -0.11 0.71 0.02 0.00 0.00 176.95 177.43 3cdf s TYR 36 N 0.74 2.65 -0.12 -1.98 2.02 0.29 -0.72 117.35 120.23 3cdf s TYR 36 Ca -0.12 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 3cdf s TYR 36 Cb -0.16 -1.34 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 3cdf s TYR 36 CO 0.03 0.46 -0.22 -1.14 -1.57 0.00 0.00 175.55 173.11 3cdf s GLN 37 N -2.52 3.08 -0.06 -0.62 0.74 0.68 -1.70 119.66 119.27 3cdf s GLN 37 Ca 0.23 -0.85 0.03 0.00 0.05 0.00 0.00 55.36 54.82 3cdf s GLN 37 Cb -0.10 -2.38 0.00 0.00 1.10 0.00 0.00 33.01 31.63 3cdf s GLN 37 CO 0.14 0.12 -0.16 -1.14 -0.55 0.00 0.00 175.29 173.71 3cdf s GLN 38 N 0.49 1.86 0.10 1.67 0.74 0.96 -0.34 119.66 125.13 3cdf s GLN 38 Ca -0.14 -0.55 0.09 0.00 0.05 0.00 0.00 55.36 54.81 3cdf s GLN 38 Cb -0.17 -1.55 -0.04 0.00 1.10 0.00 0.00 33.01 32.35 3cdf s GLN 38 CO 0.05 0.14 -0.22 0.15 -0.55 0.00 0.00 175.29 174.87 3cdf s LYS 39 N 0.33 1.71 0.18 1.67 1.02 -1.26 -0.92 119.74 122.46 3cdf s LYS 39 Ca -0.10 -1.20 -0.33 0.00 0.02 0.00 0.00 55.97 54.36 3cdf s LYS 39 Cb -0.14 -2.04 -0.14 0.00 -0.52 0.00 0.00 37.83 34.99 3cdf s LYS 39 CO 0.04 0.48 1.53 -2.30 -0.92 0.00 0.00 175.35 174.18 3cdf n PRO 40 N 1.06 2.10 -0.96 -1.68 -0.02 -1.26 -1.42 135.00 132.82 3cdf n PRO 40 Ca -0.17 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3cdf n PRO 40 Cb 0.53 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 3.10 0.86 3.38 -1.23 0.00 -1.26 -5.01 105.19 105.03 3cdf n GLY 41 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 1.39 0.18 1.61 -0.14 -0.51 -5.11 119.74 117.14 3cdf s LYS 42 Ca 0.00 -1.47 -0.32 0.00 -1.36 0.00 0.00 55.97 52.82 3cdf s LYS 42 Cb 0.00 -1.57 -0.11 0.00 -1.68 0.00 0.00 37.83 34.47 3cdf s LYS 42 CO 0.00 0.33 1.64 0.00 -0.76 0.00 0.00 175.35 176.56 3cdf s ALA 43 N -1.88 3.84 0.29 5.17 0.00 -1.26 -4.56 121.76 123.37 3cdf s ALA 43 Ca 0.18 1.46 -0.29 0.00 0.00 0.00 0.00 51.96 53.31 3cdf s ALA 43 Cb -0.07 -3.66 -0.13 0.00 0.00 0.00 0.00 23.12 19.27 3cdf s ALA 43 CO 0.08 -0.85 1.26 -2.30 0.00 0.00 0.00 175.76 173.95 3cdf n PRO 44 N 4.03 1.89 -4.89 0.00 -0.02 -1.26 -4.73 135.00 130.02 3cdf n PRO 44 Ca 0.15 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.98 3cdf n PRO 44 Cb 0.37 -2.22 -0.17 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.31 2.90 -0.02 -0.52 2.20 0.54 -4.90 119.74 118.62 3cdf s LYS 45 Ca 0.61 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 55.10 3cdf s LYS 45 Cb -0.63 -2.28 -0.06 0.00 -1.51 0.00 0.00 37.83 33.35 3cdf s LYS 45 CO 0.58 0.07 1.51 -1.17 -0.36 0.00 0.00 175.35 175.97 3cdf s LEU 46 N 0.62 4.31 -0.23 5.43 2.96 -1.26 -0.23 118.68 130.28 3cdf s LEU 46 Ca -0.13 2.18 -0.02 0.00 -0.22 0.00 0.00 54.13 55.94 3cdf s LEU 46 Cb -0.17 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 42.84 3cdf s LEU 46 CO 0.03 -0.82 -0.22 0.18 -1.32 0.00 0.00 176.35 174.20 3cdf n LEU 47 N 6.07 2.64 -4.02 -0.68 4.77 0.10 -4.75 117.00 121.14 3cdf n LEU 47 Ca 0.15 -0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.91 3cdf n LEU 47 Cb 0.43 -0.76 -0.15 0.00 -2.33 0.00 0.00 43.42 40.61 3cdf n LEU 47 CO 0.60 0.78 -0.44 -0.63 -1.33 0.00 0.00 177.39 176.37 3cdf s ILE 48 N -2.44 0.83 0.23 -0.08 1.01 -1.06 -1.21 121.20 118.48 3cdf s ILE 48 Ca -0.31 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 59.96 3cdf s ILE 48 Cb 0.09 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 3cdf s ILE 48 CO 0.49 0.25 0.05 -0.72 0.00 0.00 0.00 174.94 175.01 3cdf s TYR 49 N 0.09 1.45 -1.27 3.97 1.13 0.01 -0.41 117.35 122.32 3cdf s TYR 49 Ca -0.02 -1.08 -0.06 0.00 -1.41 0.00 0.00 57.07 54.51 3cdf s TYR 49 Cb -0.08 -0.85 0.04 0.00 -1.10 0.00 0.00 41.96 39.97 3cdf s TYR 49 CO 0.00 -0.24 0.35 -3.47 -2.51 0.00 0.00 175.55 169.69 3cdf n ASP 50 N -0.39 -4.22 0.00 -0.18 2.03 -1.07 -0.57 116.55 112.15 3cdf n ASP 50 Ca -0.03 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.09 3cdf n ASP 50 Cb 0.65 -3.50 0.00 0.00 -0.72 0.00 0.00 41.12 37.55 3cdf n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cdf n ALA 51 N -3.11 0.00 -0.84 -1.67 0.00 -0.07 -4.26 120.51 110.56 3cdf n ALA 51 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3cdf n ALA 51 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 0.89 0.08 -4.79 0.00 3.41 -1.04 -3.14 113.62 109.03 3cdf n SER 52 Ca 0.00 -0.92 -0.37 0.00 -0.26 0.00 0.00 58.87 57.31 3cdf n SER 52 Cb 0.00 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 -0.01 6.60 -0.01 4.04 0.02 0.27 -4.59 114.94 121.27 3cdf s ASN 53 Ca 0.00 0.71 -0.15 0.00 -1.02 0.00 0.00 52.86 52.41 3cdf s ASN 53 Cb 0.00 -2.21 -0.06 0.00 0.02 0.00 0.00 41.25 39.01 3cdf s ASN 53 CO 0.00 0.22 0.40 -0.76 0.02 0.00 0.00 177.10 176.98 3cdf s LEU 54 N -0.31 4.47 0.85 0.60 1.02 -1.26 -0.81 118.68 123.24 3cdf s LEU 54 Ca 0.20 0.95 -0.12 0.00 0.02 0.00 0.00 54.13 55.17 3cdf s LEU 54 Cb -0.14 -2.57 0.10 0.00 0.02 0.00 0.00 46.19 43.60 3cdf s LEU 54 CO 0.08 0.32 1.17 -1.61 0.02 0.00 0.00 176.35 176.33 3cdf s GLU 55 N -1.03 1.63 0.24 1.70 0.41 -0.35 -4.96 118.70 116.34 3cdf s GLU 55 Ca 0.23 0.15 -0.31 0.00 -0.41 0.00 0.00 54.97 54.63 3cdf s GLU 55 Cb -0.17 -1.91 -0.12 0.00 -1.78 0.00 0.00 34.13 30.16 3cdf s GLU 55 CO 0.13 -1.83 1.69 2.41 -0.49 0.00 0.00 175.26 177.16 3cdf n THR 56 N -3.49 0.32 -0.14 3.63 -1.04 -1.26 -1.84 114.28 110.47 3cdf n THR 56 Ca 0.08 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3cdf n THR 56 Cb 0.60 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 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 3.40 2.27 3.68 3.41 0.00 -1.26 -4.99 105.19 111.69 3cdf n GLY 57 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.99 3.83 0.71 1.61 1.01 -0.76 -4.97 120.40 118.84 3cdf s VAL 58 Ca 0.00 1.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.96 3cdf s VAL 58 Cb 0.00 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.68 3cdf s VAL 58 CO 0.00 -0.05 1.16 -2.84 0.00 0.00 0.00 175.10 173.38 3cdf s PRO 59 N 2.99 2.36 0.29 2.72 0.02 -1.26 -4.91 135.00 137.21 3cdf s PRO 59 Ca 0.63 1.59 0.24 0.00 0.02 0.00 0.00 61.00 63.48 3cdf s PRO 59 Cb -0.29 -1.88 1.06 0.00 0.02 0.00 0.00 34.50 33.41 3cdf s PRO 59 CO 0.24 -1.63 1.72 -1.13 -0.33 0.00 0.00 177.00 175.87 3cdf n SER 60 N -2.67 0.68 0.13 2.53 3.41 -1.26 -1.68 113.62 114.76 3cdf n SER 60 Ca 0.12 0.70 0.11 0.00 -0.26 0.00 0.00 58.87 59.54 3cdf n SER 60 Cb 0.51 -0.83 0.49 0.00 -0.26 0.00 0.00 64.21 64.11 3cdf n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3cdf n ARG 61 N -2.29 0.15 -3.59 4.33 1.85 -1.26 -4.62 116.66 111.23 3cdf n ARG 61 Ca 0.01 0.49 -0.37 0.00 -1.00 0.00 0.00 57.85 56.98 3cdf n ARG 61 Cb 0.19 -1.86 -0.06 0.00 -1.05 0.00 0.00 32.46 29.67 3cdf n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3cdf s PHE 62 N -3.36 3.60 0.12 2.89 0.08 -0.68 -0.66 117.98 119.97 3cdf s PHE 62 Ca 0.02 0.75 -0.08 0.00 0.12 0.00 0.00 56.93 57.74 3cdf s PHE 62 Cb 0.08 -2.24 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 3cdf s PHE 62 CO 0.29 0.51 0.20 -1.54 -0.10 0.00 0.00 175.22 174.59 3cdf s SER 63 N -0.48 0.12 0.04 1.36 1.04 -0.43 -4.98 113.70 110.37 3cdf s SER 63 Ca 0.19 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 55.86 3cdf s SER 63 Cb -0.14 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 3cdf s SER 63 CO 0.08 -0.78 -0.07 -0.83 0.98 0.00 0.00 173.24 172.62 3cdf s GLY 64 N -2.91 0.47 0.20 7.32 0.00 -1.26 -1.18 107.32 109.96 3cdf s GLY 64 Ca 0.11 -0.74 -0.10 0.00 0.00 0.00 0.00 44.72 43.98 3cdf s GLY 64 CO -0.06 -0.80 0.36 -1.35 0.00 0.00 0.00 173.10 171.25 3cdf s SER 65 N -1.56 -0.02 0.00 1.64 1.04 -0.26 -4.29 113.70 110.25 3cdf s SER 65 Ca -0.11 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.42 3cdf s SER 65 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3cdf s SER 65 CO 0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3cdf n GLY 66 N -0.29 3.01 3.42 7.32 0.00 -1.26 -1.12 105.19 116.27 3cdf n GLY 66 Ca -0.05 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 3cdf n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cdf s SER 67 N 0.00 -0.24 0.10 1.61 1.04 -1.20 -4.87 113.70 110.14 3cdf s SER 67 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3cdf s SER 67 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3cdf s SER 67 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 3cdf n GLY 68 N -0.28 1.90 0.00 7.32 0.00 0.74 -3.20 105.19 111.67 3cdf n GLY 68 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.60 2.61 -2.24 -1.26 -0.77 114.28 108.02 3cdf n THR 69 Ca 0.00 -0.35 -0.25 0.00 -2.27 0.00 0.00 64.05 61.18 3cdf n THR 69 Cb 0.00 0.87 -0.17 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.15 1.84 0.05 3.42 1.01 -1.19 -0.54 116.67 120.11 3cdf s ASP 70 Ca 0.00 -0.31 0.01 0.00 0.71 0.00 0.00 52.55 52.96 3cdf s ASP 70 Cb 0.00 -0.85 -0.03 0.00 1.01 0.00 0.00 42.92 43.05 3cdf s ASP 70 CO 0.00 0.04 -0.06 -0.36 0.21 0.00 0.00 175.17 175.00 3cdf s PHE 71 N 0.66 0.59 -0.01 4.23 0.08 -0.08 -3.23 117.98 120.23 3cdf s PHE 71 Ca -0.15 -0.68 0.02 0.00 0.12 0.00 0.00 56.93 56.24 3cdf s PHE 71 Cb -0.16 -0.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.92 3cdf s PHE 71 CO 0.04 -0.17 -0.06 0.99 -0.10 0.00 0.00 175.22 175.92 3cdf s THR 72 N -2.27 0.48 -0.12 0.64 2.01 -0.27 -1.22 115.64 114.88 3cdf s THR 72 Ca -0.04 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.75 3cdf s THR 72 Cb -0.04 -0.42 -0.00 0.00 0.01 0.00 0.00 72.50 72.04 3cdf s THR 72 CO -0.03 0.15 -0.19 0.12 -0.69 0.00 0.00 174.62 173.98 3cdf s PHE 73 N 0.05 2.68 -0.03 4.92 5.36 0.29 -1.10 117.98 130.15 3cdf s PHE 73 Ca -0.00 -0.95 0.03 0.00 -0.96 0.00 0.00 56.93 55.05 3cdf s PHE 73 Cb -0.04 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.85 3cdf s PHE 73 CO -0.00 -0.38 -0.12 0.99 -1.46 0.00 0.00 175.22 174.24 3cdf s THR 74 N 0.46 1.05 -0.30 0.12 2.01 -0.32 -0.68 115.64 117.99 3cdf s THR 74 Ca -0.13 -0.51 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 3cdf s THR 74 Cb -0.17 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.43 3cdf s THR 74 CO 0.06 0.32 0.09 -0.63 -0.69 0.00 0.00 174.62 173.76 3cdf s ILE 75 N 0.13 4.04 0.30 1.82 1.01 0.17 -1.32 121.20 127.35 3cdf s ILE 75 Ca -0.03 -0.67 0.13 0.00 0.00 0.00 0.00 60.65 60.08 3cdf s ILE 75 Cb -0.10 -3.08 0.06 0.00 0.01 0.00 0.00 42.46 39.35 3cdf s ILE 75 CO 0.01 0.08 1.73 0.77 0.00 0.00 0.00 174.94 177.53 3cdf h SER 76 N 8.25 0.00 -1.71 3.58 4.64 -1.18 0.29 113.55 127.42 3cdf h SER 76 Ca -0.31 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.79 3cdf h SER 76 Cb 1.13 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.93 3cdf h SER 76 CO 0.60 0.47 -0.56 -0.55 -0.87 0.00 0.00 176.83 175.92 3cdf s SER 77 N -6.80 0.44 0.18 4.97 0.15 -1.24 -3.73 113.70 107.67 3cdf s SER 77 Ca -0.02 -0.64 -0.33 0.00 0.70 0.00 0.00 55.95 55.66 3cdf s SER 77 Cb 0.13 1.05 -0.12 0.00 -1.71 0.00 0.00 66.02 65.37 3cdf s SER 77 CO 0.73 -0.33 1.70 -0.11 1.20 0.00 0.00 173.24 176.43 3cdf n LEU 78 N 5.09 3.74 -4.64 3.45 7.94 0.42 -4.61 117.00 128.38 3cdf n LEU 78 Ca 0.03 1.06 -0.25 0.00 -1.11 0.00 0.00 56.01 55.74 3cdf n LEU 78 Cb 0.49 -1.53 -0.08 0.00 0.53 0.00 0.00 43.42 42.84 3cdf n LEU 78 CO 0.00 0.05 -0.34 -1.10 -1.11 0.00 0.00 177.39 174.89 3cdf s GLN 79 N 1.30 2.29 0.29 1.96 -1.52 -1.26 -0.58 119.66 122.15 3cdf s GLN 79 Ca 0.77 -1.30 0.04 0.00 -1.95 0.00 0.00 55.36 52.92 3cdf s GLN 79 Cb -0.56 -2.22 0.69 0.00 -0.22 0.00 0.00 33.01 30.71 3cdf s GLN 79 CO 0.35 0.40 1.74 -1.35 -0.25 0.00 0.00 175.29 176.18 3cdf h PRO 80 N 2.29 0.57 0.00 2.91 0.11 -2.00 0.88 132.00 136.77 3cdf h PRO 80 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3cdf h PRO 80 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3cdf h PRO 80 CO 0.58 0.38 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 3cdf n GLU 81 N -4.90 0.22 0.00 1.05 0.00 -1.26 -2.42 120.64 113.34 3cdf n GLU 81 Ca 0.22 0.14 0.13 0.00 0.00 0.00 0.00 57.16 57.64 3cdf n GLU 81 Cb 0.58 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.88 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 -1.25 0.99 -4.67 -1.84 8.00 0.31 -4.85 116.55 113.25 3cdf n ASP 82 Ca 0.07 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.30 3cdf n ASP 82 Cb 0.10 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 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 -2.54 3.36 -0.09 0.53 -1.09 -1.02 -4.86 121.20 115.49 3cdf s ILE 83 Ca 0.23 0.55 -0.32 0.00 -2.23 0.00 0.00 60.65 58.89 3cdf s ILE 83 Cb 0.19 -3.35 0.12 0.00 -1.58 0.00 0.00 42.46 37.83 3cdf s ILE 83 CO 0.53 -0.04 1.40 0.00 -1.23 0.00 0.00 174.94 175.60 3cdf s ALA 84 N 3.72 -2.68 -0.15 9.38 0.00 -1.25 -4.90 121.76 125.88 3cdf s ALA 84 Ca 0.76 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 3cdf s ALA 84 Cb -0.36 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 3cdf s ALA 84 CO 0.32 -1.14 -0.02 0.99 0.00 0.00 0.00 175.76 175.92 3cdf s THR 85 N -2.02 4.06 -0.07 0.00 2.01 -0.10 -1.25 115.64 118.28 3cdf s THR 85 Ca 0.26 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.96 3cdf s THR 85 Cb 0.03 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 3cdf s THR 85 CO -0.04 0.51 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.02 3cdf s TYR 86 N 0.16 2.94 -0.01 4.92 1.51 -0.27 -0.03 117.35 126.57 3cdf s TYR 86 Ca -0.00 0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.11 3cdf s TYR 86 Cb -0.13 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 3cdf s TYR 86 CO 0.02 0.32 -0.13 -1.01 -1.11 0.00 0.00 175.55 173.64 3cdf s HIS 87 N -0.77 1.19 0.29 2.71 3.76 -0.69 -0.48 115.29 121.30 3cdf s HIS 87 Ca 0.12 -0.24 -0.09 0.00 -0.15 0.00 0.00 55.06 54.70 3cdf s HIS 87 Cb -0.11 -0.77 -0.07 0.00 1.11 0.00 0.00 32.58 32.74 3cdf s HIS 87 CO 0.01 -0.04 0.60 0.00 -0.85 0.00 0.00 174.74 174.47 3cdf s GLN 89 N -3.24 0.10 0.19 0.00 0.74 0.55 -0.22 119.66 117.78 3cdf s GLN 89 Ca 0.47 0.30 -0.12 0.00 0.05 0.00 0.00 55.36 56.07 3cdf s GLN 89 Cb -0.11 -0.11 -0.07 0.00 1.10 0.00 0.00 33.01 33.83 3cdf s GLN 89 CO 0.25 -0.12 0.55 1.14 -0.55 0.00 0.00 175.29 176.57 3cdf s GLN 90 N 0.83 3.89 -0.22 1.67 1.03 -0.39 -0.29 119.66 126.18 3cdf s GLN 90 Ca -0.06 0.39 0.21 0.00 0.04 0.00 0.00 55.36 55.94 3cdf s GLN 90 Cb -0.08 -2.78 0.49 0.00 0.03 0.00 0.00 33.01 30.66 3cdf s GLN 90 CO -0.04 0.39 1.13 2.48 -2.54 0.00 0.00 175.29 176.72 3cdf n TYR 91 N 0.32 1.20 -0.05 9.60 4.11 -0.38 -3.15 117.16 128.82 3cdf n TYR 91 Ca -0.02 -1.86 -0.17 0.00 -0.00 0.00 0.00 57.90 55.85 3cdf n TYR 91 Cb 0.52 -0.23 -0.13 0.00 -0.00 0.00 0.00 39.34 39.50 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 2.23 0.11 -3.39 9.48 3.58 -1.85 -3.47 116.42 123.11 3cdf h ASP 92 Ca -0.08 -0.91 -0.44 0.00 0.42 0.00 0.00 57.03 56.02 3cdf h ASP 92 Cb 1.40 -0.04 -0.35 0.00 1.72 0.00 0.00 39.33 42.07 3cdf h ASP 92 CO 0.24 1.18 -0.78 0.20 -2.88 0.00 0.00 179.24 177.20 3cdf s ASN 93 N -6.50 1.32 0.40 2.28 -0.87 -1.26 -5.11 114.94 105.20 3cdf s ASN 93 Ca -0.20 -0.17 -0.26 0.00 -1.57 0.00 0.00 52.86 50.67 3cdf s ASN 93 Cb -0.00 -0.55 -0.09 0.00 -0.02 0.00 0.00 41.25 40.59 3cdf s ASN 93 CO 0.70 -0.07 1.25 -0.76 -2.57 0.00 0.00 177.10 175.65 3cdf s LEU 94 N 1.14 4.22 0.25 0.60 1.43 -1.26 -3.69 118.68 121.38 3cdf s LEU 94 Ca -0.07 2.53 -0.30 0.00 -1.03 0.00 0.00 54.13 55.26 3cdf s LEU 94 Cb -0.14 -3.93 -0.09 0.00 0.03 0.00 0.00 46.19 42.06 3cdf s LEU 94 CO -0.01 -0.75 1.19 -2.16 0.23 0.00 0.00 176.35 174.85 3cdf s PRO 95 N -2.22 4.51 -1.03 1.29 0.04 -1.26 -4.98 135.00 131.36 3cdf s PRO 95 Ca 0.56 1.94 -0.23 0.00 0.04 0.00 0.00 61.00 63.30 3cdf s PRO 95 Cb -0.35 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 3cdf s PRO 95 CO 0.45 -0.01 1.88 0.71 0.04 0.00 0.00 177.00 180.07 3cdf s TYR 96 N -0.69 1.98 0.50 0.56 2.02 -1.24 -4.71 117.35 115.77 3cdf s TYR 96 Ca 0.49 0.30 -0.17 0.00 -0.37 0.00 0.00 57.07 57.32 3cdf s TYR 96 Cb -0.34 -4.14 -0.08 0.00 -0.40 0.00 0.00 41.96 37.00 3cdf s TYR 96 CO 0.42 -1.59 0.97 0.95 -1.57 0.00 0.00 175.55 174.73 3cdf s THR 97 N 9.56 4.52 0.11 -0.71 -4.23 -1.19 -4.70 115.64 119.00 3cdf s THR 97 Ca 0.66 1.24 0.04 0.00 -1.18 0.00 0.00 61.69 62.45 3cdf s THR 97 Cb -0.03 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 3cdf s THR 97 CO 0.04 -0.62 0.11 -0.36 -0.54 0.00 0.00 174.62 173.24 3cdf s PHE 98 N -2.54 3.19 1.02 3.99 0.08 -1.26 -1.26 117.98 121.20 3cdf s PHE 98 Ca 0.59 0.05 -0.13 0.00 0.12 0.00 0.00 56.93 57.56 3cdf s PHE 98 Cb -0.10 -1.59 0.20 0.00 -0.57 0.00 0.00 43.02 40.96 3cdf s PHE 98 CO 0.28 0.52 1.10 0.20 -0.10 0.00 0.00 175.22 177.23 3cdf s GLY 99 N -2.65 1.57 0.15 4.36 0.00 0.70 -4.60 107.32 106.84 3cdf s GLY 99 Ca 0.30 -0.49 0.26 0.00 0.00 0.00 0.00 44.72 44.79 3cdf s GLY 99 CO 0.23 0.16 1.79 -1.06 0.00 0.00 0.00 173.10 174.21 3cdf n GLN 100 N -4.21 0.17 0.00 2.90 3.00 -1.26 -4.71 117.38 113.27 3cdf n GLN 100 Ca 0.06 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 3cdf n GLN 100 Cb 0.58 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 29.10 3cdf n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cdf n GLY 101 N 1.10 1.26 2.90 1.08 0.00 -1.26 -5.04 105.19 105.23 3cdf n GLY 101 Ca 0.05 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.51 1.02 -0.25 2.61 2.01 0.37 -4.50 115.64 114.39 3cdf s THR 102 Ca 0.00 -0.28 -0.19 0.00 0.31 0.00 0.00 61.69 61.53 3cdf s THR 102 Cb 0.00 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 3cdf s THR 102 CO 0.00 0.36 0.56 -0.75 -0.69 0.00 0.00 174.62 174.11 3cdf s LYS 103 N 1.71 4.11 -0.05 4.92 2.20 -0.39 -1.11 119.74 131.13 3cdf s LYS 103 Ca 0.05 0.43 -0.14 0.00 -0.36 0.00 0.00 55.97 55.95 3cdf s LYS 103 Cb -0.13 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.51 3cdf s LYS 103 CO -0.08 -0.34 0.38 -0.51 -0.36 0.00 0.00 175.35 174.43 3cdf s LEU 104 N 2.27 4.41 0.07 5.43 1.43 -0.38 -1.17 118.68 130.74 3cdf s LEU 104 Ca 0.24 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.19 3cdf s LEU 104 Cb -0.16 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 3cdf s LEU 104 CO 0.09 0.26 -0.06 -1.61 0.23 0.00 0.00 176.35 175.26 3cdf s GLU 105 N -0.65 0.65 0.05 1.70 2.02 -0.29 -3.94 118.70 118.26 3cdf s GLU 105 Ca 0.22 -1.06 -0.30 0.00 0.02 0.00 0.00 54.97 53.85 3cdf s GLU 105 Cb -0.16 -0.14 -0.05 0.00 0.10 0.00 0.00 34.13 33.88 3cdf s GLU 105 CO 0.11 -0.01 1.02 0.42 0.02 0.00 0.00 175.26 176.81 3cdf s ILE 106 N -2.71 4.57 -1.40 -1.63 -1.09 -1.26 -1.62 121.20 116.05 3cdf s ILE 106 Ca 0.01 1.94 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 3cdf s ILE 106 Cb -0.01 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 3cdf s ILE 106 CO -0.03 0.21 0.35 1.17 -1.23 0.00 0.00 174.94 175.40