#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 4.15 0.40 0.44 -4.23 -1.26 -5.00 115.64 110.14 3cdf s THR 0 Ca 0.00 1.97 -0.25 0.00 -1.18 0.00 0.00 61.69 62.23 3cdf s THR 0 Cb 0.00 -4.23 -0.11 0.00 1.34 0.00 0.00 72.50 69.50 3cdf s THR 0 CO 0.00 0.43 1.03 0.47 -0.54 0.00 0.00 174.62 176.01 3cdf n ASP 1 N 1.31 1.39 -4.71 3.99 8.00 -1.26 -4.89 116.55 120.39 3cdf n ASP 1 Ca -0.02 1.07 -0.42 0.00 0.71 0.00 0.00 54.79 56.13 3cdf n ASP 1 Cb 0.48 -1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.19 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 -1.23 3.98 -0.20 0.53 -1.09 -1.26 -5.01 121.20 116.91 3cdf s ILE 2 Ca 0.62 1.41 -0.12 0.00 -2.23 0.00 0.00 60.65 60.33 3cdf s ILE 2 Cb -0.58 -3.90 -0.05 0.00 -1.58 0.00 0.00 42.46 36.35 3cdf s ILE 2 CO 0.58 0.10 0.20 -1.10 -1.23 0.00 0.00 174.94 173.49 3cdf s GLN 3 N 1.19 4.17 -0.28 2.79 -1.52 -1.26 -4.76 119.66 119.99 3cdf s GLN 3 Ca 0.59 -0.12 -0.11 0.00 -1.95 0.00 0.00 55.36 53.78 3cdf s GLN 3 Cb -0.30 -3.47 -0.04 0.00 -0.22 0.00 0.00 33.01 28.99 3cdf s GLN 3 CO 0.29 0.19 0.17 -1.64 -0.25 0.00 0.00 175.29 174.05 3cdf s MET 4 N 0.67 3.81 -0.41 2.91 -1.94 -1.26 -1.21 119.30 121.87 3cdf s MET 4 Ca 0.11 -0.41 -0.13 0.00 -1.71 0.00 0.00 55.69 53.55 3cdf s MET 4 Cb -0.12 -3.62 0.04 0.00 2.01 0.00 0.00 34.83 33.13 3cdf s MET 4 CO 0.02 -0.23 0.28 0.99 -0.01 0.00 0.00 175.02 176.07 3cdf s THR 5 N 1.72 4.92 -0.14 2.05 2.01 0.67 -4.36 115.64 122.51 3cdf s THR 5 Ca 0.07 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.14 3cdf s THR 5 Cb -0.16 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 3cdf s THR 5 CO 0.09 -0.35 0.04 -1.58 -0.69 0.00 0.00 174.62 172.14 3cdf s GLN 6 N 1.60 3.56 -0.01 4.92 0.74 -1.26 -0.63 119.66 128.58 3cdf s GLN 6 Ca 0.04 -0.35 -0.03 0.00 0.05 0.00 0.00 55.36 55.07 3cdf s GLN 6 Cb -0.20 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 30.86 3cdf s GLN 6 CO 0.08 0.47 0.06 0.45 -0.55 0.00 0.00 175.29 175.80 3cdf s SER 7 N -0.22 0.01 0.82 6.67 0.15 -0.20 -4.61 113.70 116.31 3cdf s SER 7 Ca 0.07 -0.04 -0.09 0.00 0.70 0.00 0.00 55.95 56.59 3cdf s SER 7 Cb -0.12 0.14 0.14 0.00 -1.71 0.00 0.00 66.02 64.46 3cdf s SER 7 CO 0.02 -0.13 1.14 -2.16 1.20 0.00 0.00 173.24 173.31 3cdf s PRO 8 N -0.47 1.40 0.10 5.44 0.04 -1.26 -0.88 135.00 139.38 3cdf s PRO 8 Ca -0.05 -0.58 -0.08 0.00 0.04 0.00 0.00 61.00 60.33 3cdf s PRO 8 Cb -0.03 -2.08 -0.17 0.00 0.04 0.00 0.00 34.50 32.25 3cdf s PRO 8 CO 0.00 -1.79 1.23 1.03 0.04 0.00 0.00 177.00 177.51 3cdf h SER 9 N -1.01 0.64 -5.03 6.66 0.87 -1.82 -3.38 113.55 110.49 3cdf h SER 9 Ca -0.42 -0.54 -0.09 0.00 -1.23 0.00 0.00 61.79 59.51 3cdf h SER 9 Cb 1.27 -0.20 -0.17 0.00 -0.44 0.00 0.00 62.40 62.85 3cdf h SER 9 CO 0.45 1.35 -0.13 -0.94 -0.53 0.00 0.00 176.83 177.03 3cdf s SER 10 N -7.18 -0.28 0.07 6.23 1.04 -1.26 -1.63 113.70 110.69 3cdf s SER 10 Ca -0.07 0.05 -0.16 0.00 0.48 0.00 0.00 55.95 56.25 3cdf s SER 10 Cb 0.08 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.63 3cdf s SER 10 CO 0.89 -0.61 0.38 -1.48 0.98 0.00 0.00 173.24 173.40 3cdf s LEU 11 N -1.81 0.54 -0.04 2.42 0.05 -0.45 -4.91 118.68 114.48 3cdf s LEU 11 Ca -0.07 -0.16 0.06 0.00 0.05 0.00 0.00 54.13 54.00 3cdf s LEU 11 Cb -0.02 1.66 -0.01 0.00 -2.05 0.00 0.00 46.19 45.78 3cdf s LEU 11 CO -0.00 -0.71 -0.22 -0.94 -0.55 0.00 0.00 176.35 173.93 3cdf s SER 12 N -2.29 2.64 0.31 1.48 1.04 -1.26 -1.26 113.70 114.35 3cdf s SER 12 Ca -0.02 -0.43 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 3cdf s SER 12 Cb 0.00 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.52 3cdf s SER 12 CO -0.06 0.22 0.48 0.00 0.98 0.00 0.00 173.24 174.86 3cdf s ALA 13 N -0.20 0.37 0.25 5.32 0.00 -0.66 -4.76 121.76 122.09 3cdf s ALA 13 Ca -0.00 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.72 3cdf s ALA 13 Cb -0.12 1.11 -0.03 0.00 0.00 0.00 0.00 23.12 24.08 3cdf s ALA 13 CO 0.02 -0.81 0.40 -1.12 0.00 0.00 0.00 175.76 174.24 3cdf s SER 14 N -3.15 6.32 0.20 0.00 0.01 -1.26 -0.09 113.70 115.72 3cdf s SER 14 Ca 0.27 0.18 -0.32 0.00 1.31 0.00 0.00 55.95 57.39 3cdf s SER 14 Cb -0.00 -1.91 -0.15 0.00 0.21 0.00 0.00 66.02 64.17 3cdf s SER 14 CO 0.16 -0.11 1.25 0.52 0.41 0.00 0.00 173.24 175.47 3cdf n VAL 15 N -1.38 0.91 0.00 3.43 0.31 -1.26 -1.23 118.33 119.11 3cdf n VAL 15 Ca -0.08 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 3cdf n VAL 15 Cb 0.56 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 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 2.07 2.87 3.78 2.92 0.00 0.15 -4.88 105.19 112.11 3cdf n GLY 16 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.30 5.39 -0.15 1.61 1.01 -0.37 -3.73 116.67 119.14 3cdf s ASP 17 Ca 0.00 1.95 -0.27 0.00 0.71 0.00 0.00 52.55 54.94 3cdf s ASP 17 Cb 0.00 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 3cdf s ASP 17 CO 0.00 -1.44 0.89 -0.60 0.21 0.00 0.00 175.17 174.24 3cdf s ARG 18 N -4.03 4.34 -0.14 8.23 3.52 -1.25 -0.50 118.95 129.12 3cdf s ARG 18 Ca 0.66 1.15 -0.05 0.00 -0.13 0.00 0.00 55.73 57.36 3cdf s ARG 18 Cb -0.19 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 3cdf s ARG 18 CO 0.39 -0.32 0.01 0.08 -0.81 0.00 0.00 175.30 174.65 3cdf s VAL 19 N 2.08 4.39 -0.11 7.11 1.01 -0.06 -4.98 120.40 129.85 3cdf s VAL 19 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3cdf s VAL 19 Cb -0.17 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.31 3cdf s VAL 19 CO 0.14 0.52 -0.10 -0.89 0.00 0.00 0.00 175.10 174.77 3cdf s THR 20 N -0.03 1.18 -0.01 3.92 2.01 -1.26 -1.24 115.64 120.22 3cdf s THR 20 Ca 0.04 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 61.69 3cdf s THR 20 Cb -0.13 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 3cdf s THR 20 CO 0.02 0.39 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.48 3cdf s ILE 21 N 1.39 1.75 0.21 1.82 1.01 -0.36 -4.67 121.20 122.35 3cdf s ILE 21 Ca -0.00 -0.99 0.11 0.00 0.00 0.00 0.00 60.65 59.77 3cdf s ILE 21 Cb -0.13 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 3cdf s ILE 21 CO -0.06 0.45 -0.23 0.42 0.00 0.00 0.00 174.94 175.53 3cdf s THR 22 N -0.56 2.32 -0.06 2.92 -4.23 -0.05 -0.32 115.64 115.65 3cdf s THR 22 Ca 0.09 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 3cdf s THR 22 Cb -0.09 -2.13 0.04 0.00 1.34 0.00 0.00 72.50 71.66 3cdf s THR 22 CO -0.00 -0.20 0.10 0.00 -0.54 0.00 0.00 174.62 173.98 3cdf s GLN 24 N 2.02 3.64 0.11 0.00 0.74 0.20 -1.27 119.66 125.10 3cdf s GLN 24 Ca 0.02 -0.52 -0.16 0.00 0.05 0.00 0.00 55.36 54.74 3cdf s GLN 24 Cb -0.12 -2.90 -0.07 0.00 1.10 0.00 0.00 33.01 31.02 3cdf s GLN 24 CO -0.04 0.26 0.55 0.00 -0.55 0.00 0.00 175.29 175.50 3cdf s ALA 25 N 0.31 3.59 -0.62 1.58 0.00 0.30 -0.24 121.76 126.69 3cdf s ALA 25 Ca -0.04 -0.07 0.24 0.00 0.00 0.00 0.00 51.96 52.08 3cdf s ALA 25 Cb -0.14 -2.56 0.92 0.00 0.00 0.00 0.00 23.12 21.34 3cdf s ALA 25 CO 0.03 0.44 1.72 -1.13 0.00 0.00 0.00 175.76 176.82 3cdf n SER 26 N 1.22 0.62 -3.93 0.00 3.41 -0.35 -4.77 113.62 109.83 3cdf n SER 26 Ca -0.08 0.62 -0.09 0.00 -0.26 0.00 0.00 58.87 59.06 3cdf n SER 26 Cb 0.51 -0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 3cdf n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3cdf s GLN 27 N -3.21 0.94 0.01 4.33 -0.21 -1.26 -4.98 119.66 115.27 3cdf s GLN 27 Ca 0.07 -1.08 -0.30 0.00 0.02 0.00 0.00 55.36 54.06 3cdf s GLN 27 Cb 0.11 0.34 -0.07 0.00 1.00 0.00 0.00 33.01 34.38 3cdf s GLN 27 CO 0.45 -0.31 1.72 0.34 -2.12 0.00 0.00 175.29 175.36 3cdf s ASP 28 N -2.91 6.60 -0.14 5.90 -1.08 -1.26 -4.72 116.67 119.06 3cdf s ASP 28 Ca 0.11 2.41 0.17 0.00 -0.52 0.00 0.00 52.55 54.72 3cdf s ASP 28 Cb 0.05 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.34 3cdf s ASP 28 CO -0.06 -0.94 1.25 2.30 0.52 0.00 0.00 175.17 178.24 3cdf n ILE 29 N 5.23 1.98 0.00 4.11 -5.35 -0.02 -5.01 119.36 120.30 3cdf n ILE 29 Ca 0.17 -2.02 0.00 0.00 -0.27 0.00 0.00 62.75 60.63 3cdf n ILE 29 Cb 0.42 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 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 -0.98 0.00 -1.07 7.28 2.88 -1.25 -1.18 113.62 119.30 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 0.71 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.45 3cdf n SER 30 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3cdf n ASN 31 N 4.33 3.99 -3.88 -3.46 6.94 -1.26 -0.41 115.26 121.52 3cdf n ASN 31 Ca 0.00 -3.09 -0.42 0.00 -0.02 0.00 0.00 54.58 51.04 3cdf n ASN 31 Cb 0.00 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 36.85 3cdf n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3cdf n TYR 32 N -0.45 3.14 -4.14 -2.53 4.01 -0.33 -2.71 117.16 114.15 3cdf n TYR 32 Ca 0.24 -2.84 -0.16 0.00 -0.16 0.00 0.00 57.90 54.98 3cdf n TYR 32 Cb 0.96 -2.06 -0.15 0.00 -0.31 0.00 0.00 39.34 37.79 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 0.33 1.92 0.20 7.72 2.96 -1.26 -1.38 118.68 129.18 3cdf s LEU 33 Ca 0.41 -0.09 0.10 0.00 -0.22 0.00 0.00 54.13 54.33 3cdf s LEU 33 Cb 0.10 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.48 3cdf s LEU 33 CO -0.01 0.05 -0.20 0.20 -1.32 0.00 0.00 176.35 175.07 3cdf s ASN 34 N 0.00 3.03 -0.06 3.68 0.01 -0.08 -0.23 114.94 121.28 3cdf s ASN 34 Ca 0.00 -0.91 0.05 0.00 -0.71 0.00 0.00 52.86 51.30 3cdf s ASN 34 Cb -0.03 -0.21 -0.00 0.00 0.41 0.00 0.00 41.25 41.42 3cdf s ASN 34 CO -0.00 0.01 -0.21 0.26 -1.51 0.00 0.00 177.10 175.64 3cdf s TRP 35 N -2.11 2.16 0.08 2.20 0.52 0.10 -0.85 118.94 121.04 3cdf s TRP 35 Ca 0.20 -0.69 0.09 0.00 0.02 0.00 0.00 56.10 55.71 3cdf s TRP 35 Cb -0.06 -1.44 -0.03 0.00 -1.15 0.00 0.00 33.47 30.79 3cdf s TRP 35 CO 0.09 -0.24 -0.23 0.71 0.02 0.00 0.00 176.95 177.30 3cdf s TYR 36 N 0.05 1.96 -0.18 -1.98 2.02 -0.02 -0.82 117.35 118.39 3cdf s TYR 36 Ca -0.07 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.16 3cdf s TYR 36 Cb -0.14 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 3cdf s TYR 36 CO 0.04 0.18 0.07 -1.14 -1.57 0.00 0.00 175.55 173.13 3cdf s GLN 37 N -1.60 3.95 -0.15 -0.62 0.74 -0.15 -1.20 119.66 120.63 3cdf s GLN 37 Ca 0.09 -0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.19 3cdf s GLN 37 Cb -0.10 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.79 3cdf s GLN 37 CO 0.03 0.31 -0.17 -1.14 -0.55 0.00 0.00 175.29 173.78 3cdf s GLN 38 N 0.26 3.16 0.17 1.67 0.74 0.16 -1.07 119.66 124.75 3cdf s GLN 38 Ca 0.04 -0.78 0.11 0.00 0.05 0.00 0.00 55.36 54.78 3cdf s GLN 38 Cb -0.12 -2.57 -0.04 0.00 1.10 0.00 0.00 33.01 31.38 3cdf s GLN 38 CO 0.00 0.01 -0.22 0.15 -0.55 0.00 0.00 175.29 174.68 3cdf s LYS 39 N 0.81 1.59 0.22 1.67 1.02 -1.26 -1.97 119.74 121.82 3cdf s LYS 39 Ca -0.06 -1.42 -0.32 0.00 0.02 0.00 0.00 55.97 54.20 3cdf s LYS 39 Cb -0.15 -1.93 -0.13 0.00 -0.52 0.00 0.00 37.83 35.10 3cdf s LYS 39 CO -0.00 0.42 1.60 -2.30 -0.92 0.00 0.00 175.35 174.15 3cdf n PRO 40 N 0.44 2.46 -0.96 -1.68 -0.02 -1.26 -2.56 135.00 131.41 3cdf n PRO 40 Ca -0.14 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3cdf n PRO 40 Cb 0.55 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 3.07 0.85 3.60 -1.23 0.00 -1.26 -5.01 105.19 105.21 3cdf n GLY 41 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 2.08 0.47 1.61 1.02 -1.06 -5.11 119.74 118.72 3cdf s LYS 42 Ca 0.00 -1.62 -0.23 0.00 0.02 0.00 0.00 55.97 54.14 3cdf s LYS 42 Cb 0.00 -1.99 -0.07 0.00 -0.52 0.00 0.00 37.83 35.25 3cdf s LYS 42 CO 0.00 0.27 1.22 0.00 -0.92 0.00 0.00 175.35 175.92 3cdf s ALA 43 N -2.44 2.97 0.11 5.17 0.00 -1.26 -4.74 121.76 121.57 3cdf s ALA 43 Ca 0.32 1.06 -0.35 0.00 0.00 0.00 0.00 51.96 52.99 3cdf s ALA 43 Cb -0.04 -3.44 -0.15 0.00 0.00 0.00 0.00 23.12 19.49 3cdf s ALA 43 CO 0.19 -0.84 1.46 -2.30 0.00 0.00 0.00 175.76 174.26 3cdf n PRO 44 N -0.55 1.61 -3.69 0.00 -0.02 -1.26 -4.78 135.00 126.31 3cdf n PRO 44 Ca 0.08 0.58 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 3cdf n PRO 44 Cb 0.47 -2.28 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.77 3.81 0.01 -0.52 2.20 -0.23 -4.92 119.74 120.85 3cdf s LYS 45 Ca 0.82 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.73 3cdf s LYS 45 Cb -0.83 -3.47 -0.06 0.00 -1.51 0.00 0.00 37.83 31.96 3cdf s LYS 45 CO 0.43 -0.16 1.40 -1.17 -0.36 0.00 0.00 175.35 175.49 3cdf s LEU 46 N 1.60 4.32 -0.21 5.43 2.96 -1.26 -0.98 118.68 130.55 3cdf s LEU 46 Ca 0.06 2.13 -0.09 0.00 -0.22 0.00 0.00 54.13 56.02 3cdf s LEU 46 Cb -0.15 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.88 3cdf s LEU 46 CO 0.07 -0.71 -0.26 0.18 -1.32 0.00 0.00 176.35 174.31 3cdf n LEU 47 N 5.24 1.63 -4.01 -0.68 4.77 -0.00 -4.78 117.00 119.18 3cdf n LEU 47 Ca 0.13 0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 56.08 3cdf n LEU 47 Cb 0.44 -0.62 -0.17 0.00 -2.33 0.00 0.00 43.42 40.74 3cdf n LEU 47 CO 0.58 0.48 -0.46 -0.63 -1.33 0.00 0.00 177.39 176.03 3cdf s ILE 48 N -2.38 1.09 0.20 -0.08 -1.09 -1.13 -1.07 121.20 116.75 3cdf s ILE 48 Ca -0.29 -0.44 0.11 0.00 -2.23 0.00 0.00 60.65 57.80 3cdf s ILE 48 Cb 0.11 -1.01 -0.04 0.00 -1.58 0.00 0.00 42.46 39.94 3cdf s ILE 48 CO 0.38 0.35 -0.22 -0.72 -1.23 0.00 0.00 174.94 173.50 3cdf s TYR 49 N 0.76 2.34 -1.45 3.97 1.13 0.33 -0.72 117.35 123.71 3cdf s TYR 49 Ca -0.13 -0.34 -0.06 0.00 -1.41 0.00 0.00 57.07 55.13 3cdf s TYR 49 Cb -0.15 -1.14 0.04 0.00 -1.10 0.00 0.00 41.96 39.61 3cdf s TYR 49 CO 0.03 0.53 0.68 -0.25 -2.51 0.00 0.00 175.55 174.03 3cdf n ASP 50 N 0.12 -2.01 0.00 -0.18 8.00 -0.61 -1.32 116.55 120.55 3cdf n ASP 50 Ca -0.11 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.48 3cdf n ASP 50 Cb 0.56 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.18 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 -4.43 0.00 -1.09 2.24 0.00 0.68 -4.14 120.51 113.76 3cdf n ALA 51 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3cdf n ALA 51 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 1.17 0.00 -4.75 0.00 3.41 -1.15 -3.01 113.62 109.29 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 6.54 -0.15 4.04 -0.87 -0.43 -4.60 114.94 119.46 3cdf s ASN 53 Ca 0.00 0.64 -0.29 0.00 -1.57 0.00 0.00 52.86 51.64 3cdf s ASN 53 Cb 0.00 -2.21 -0.00 0.00 -0.02 0.00 0.00 41.25 39.01 3cdf s ASN 53 CO 0.00 0.12 1.00 -0.22 -2.57 0.00 0.00 177.10 175.43 3cdf s LEU 54 N 0.24 4.19 0.51 0.60 2.96 -1.26 -0.52 118.68 125.41 3cdf s LEU 54 Ca 0.20 1.45 -0.22 0.00 -0.22 0.00 0.00 54.13 55.34 3cdf s LEU 54 Cb -0.14 -3.52 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 3cdf s LEU 54 CO 0.07 -0.52 1.22 -0.70 -1.32 0.00 0.00 176.35 175.10 3cdf s GLU 55 N 2.42 3.43 0.11 1.98 2.56 -0.23 -4.90 118.70 124.06 3cdf s GLU 55 Ca 0.46 1.88 -0.34 0.00 0.00 0.00 0.00 54.97 56.97 3cdf s GLU 55 Cb -0.17 -2.25 -0.14 0.00 2.00 0.00 0.00 34.13 33.57 3cdf s GLU 55 CO 0.14 -0.85 1.59 2.41 -0.56 0.00 0.00 175.26 177.98 3cdf n THR 56 N -0.89 0.08 -0.62 -1.70 -1.04 -1.26 -2.09 114.28 106.76 3cdf n THR 56 Ca 0.10 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3cdf n THR 56 Cb 0.48 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 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 3.43 1.07 3.78 3.41 0.00 -1.26 -5.03 105.19 110.59 3cdf n GLY 57 Ca 0.18 0.00 -0.39 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 -3.36 4.79 0.37 1.61 1.01 -0.89 -5.02 120.40 118.91 3cdf s VAL 58 Ca 0.00 1.29 -0.27 0.00 0.00 0.00 0.00 61.98 63.00 3cdf s VAL 58 Cb 0.00 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 32.32 3cdf s VAL 58 CO 0.00 0.47 1.19 -2.65 0.00 0.00 0.00 175.10 174.12 3cdf n PRO 59 N 2.27 1.83 0.00 2.72 -0.02 -1.26 -4.87 135.00 135.67 3cdf n PRO 59 Ca -0.08 0.64 0.09 0.00 -2.02 0.00 0.00 63.50 62.14 3cdf n PRO 59 Cb 0.51 -2.21 0.46 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.66 0.00 0.13 2.55 3.41 -1.26 -2.21 113.62 116.90 3cdf n SER 60 Ca 0.07 0.14 0.10 0.00 -0.26 0.00 0.00 58.87 58.91 3cdf n SER 60 Cb 0.37 -0.34 0.48 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.34 0.14 -3.33 4.33 1.85 -1.26 -4.55 116.66 112.50 3cdf n ARG 61 Ca 0.08 0.52 -0.38 0.00 -1.00 0.00 0.00 57.85 57.07 3cdf n ARG 61 Cb 0.17 -1.86 -0.06 0.00 -1.05 0.00 0.00 32.46 29.66 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 -3.38 3.53 0.16 2.89 0.08 -0.94 -0.90 117.98 119.42 3cdf s PHE 62 Ca 0.01 0.89 -0.08 0.00 0.12 0.00 0.00 56.93 57.87 3cdf s PHE 62 Cb 0.07 -2.53 -0.01 0.00 -0.57 0.00 0.00 43.02 39.98 3cdf s PHE 62 CO 0.25 0.20 0.26 -1.54 -0.10 0.00 0.00 175.22 174.29 3cdf s SER 63 N 0.49 0.07 0.04 1.36 1.04 -0.45 -4.92 113.70 111.33 3cdf s SER 63 Ca 0.26 -0.89 -0.05 0.00 0.48 0.00 0.00 55.95 55.75 3cdf s SER 63 Cb -0.15 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 3cdf s SER 63 CO 0.10 -0.87 0.08 -0.83 0.98 0.00 0.00 173.24 172.71 3cdf s GLY 64 N -2.97 0.20 0.21 7.32 0.00 -1.26 -0.94 107.32 109.89 3cdf s GLY 64 Ca 0.17 -0.61 -0.07 0.00 0.00 0.00 0.00 44.72 44.21 3cdf s GLY 64 CO -0.01 -0.74 0.29 -1.35 0.00 0.00 0.00 173.10 171.29 3cdf s SER 65 N -2.18 0.04 0.00 1.64 1.04 -0.02 -4.28 113.70 109.94 3cdf s SER 65 Ca -0.04 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.25 3cdf s SER 65 Cb -0.01 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3cdf s SER 65 CO -0.05 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3cdf n GLY 66 N -0.30 3.03 3.56 7.32 0.00 -1.26 -1.15 105.19 116.38 3cdf n GLY 66 Ca -0.01 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.68 0.00 1.61 0.15 -1.25 -4.84 113.70 108.68 3cdf s SER 67 Ca 0.00 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.94 3cdf s SER 67 Cb 0.00 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 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 2.60 1.03 0.00 9.45 0.00 0.46 -4.33 105.19 114.39 3cdf n GLY 68 Ca -0.14 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.87 2.61 -2.24 -1.26 -0.84 114.28 108.67 3cdf n THR 69 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 3cdf n THR 69 Cb 0.00 -0.04 -0.13 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.15 4.83 0.13 3.42 1.11 -1.26 -0.54 116.67 122.21 3cdf s ASP 70 Ca 0.00 -1.03 0.10 0.00 0.18 0.00 0.00 52.55 51.80 3cdf s ASP 70 Cb 0.00 -1.75 -0.04 0.00 1.07 0.00 0.00 42.92 42.20 3cdf s ASP 70 CO 0.00 -0.22 -0.24 -0.36 1.18 0.00 0.00 175.17 175.53 3cdf s PHE 71 N 1.34 2.07 -0.03 4.23 0.08 -0.39 -3.81 117.98 121.47 3cdf s PHE 71 Ca -0.02 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.65 3cdf s PHE 71 Cb -0.18 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.17 3cdf s PHE 71 CO -0.01 0.30 -0.06 0.99 -0.10 0.00 0.00 175.22 176.33 3cdf s THR 72 N -1.20 0.61 -0.09 0.64 2.01 -0.30 -1.14 115.64 116.18 3cdf s THR 72 Ca 0.11 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.90 3cdf s THR 72 Cb -0.10 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 3cdf s THR 72 CO 0.06 0.22 -0.13 0.12 -0.69 0.00 0.00 174.62 174.19 3cdf s PHE 73 N 0.47 2.78 -0.02 4.92 5.36 0.56 -0.84 117.98 131.20 3cdf s PHE 73 Ca -0.07 -0.33 0.05 0.00 -0.96 0.00 0.00 56.93 55.62 3cdf s PHE 73 Cb -0.10 -1.73 -0.01 0.00 -0.34 0.00 0.00 43.02 40.84 3cdf s PHE 73 CO 0.00 0.04 -0.16 0.99 -1.46 0.00 0.00 175.22 174.63 3cdf s THR 74 N -0.29 1.30 -0.35 0.12 2.01 -0.11 -1.22 115.64 117.10 3cdf s THR 74 Ca 0.02 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 3cdf s THR 74 Cb -0.13 -1.09 0.03 0.00 0.01 0.00 0.00 72.50 71.32 3cdf s THR 74 CO 0.03 0.37 0.14 -0.63 -0.69 0.00 0.00 174.62 173.84 3cdf s ILE 75 N -0.28 4.16 0.09 1.82 1.01 -0.37 -1.34 121.20 126.30 3cdf s ILE 75 Ca 0.04 -0.93 0.23 0.00 0.00 0.00 0.00 60.65 59.99 3cdf s ILE 75 Cb -0.07 -3.31 0.21 0.00 0.01 0.00 0.00 42.46 39.30 3cdf s ILE 75 CO -0.00 -0.16 1.77 0.77 0.00 0.00 0.00 174.94 177.33 3cdf h SER 76 N 8.31 0.00 -2.51 3.58 4.64 -1.30 -0.12 113.55 126.14 3cdf h SER 76 Ca -0.26 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.79 3cdf h SER 76 Cb 1.10 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.85 3cdf h SER 76 CO 0.63 0.26 -0.58 -0.94 -0.87 0.00 0.00 176.83 175.32 3cdf s SER 77 N -6.24 0.97 0.00 4.97 1.04 -1.25 -3.91 113.70 109.28 3cdf s SER 77 Ca 0.01 0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.17 3cdf s SER 77 Cb 0.10 0.56 -0.06 0.00 0.10 0.00 0.00 66.02 66.72 3cdf s SER 77 CO 0.65 -0.30 1.42 -0.22 0.98 0.00 0.00 173.24 175.77 3cdf s LEU 78 N 2.38 4.32 0.22 2.42 2.96 0.35 -4.66 118.68 126.66 3cdf s LEU 78 Ca 0.06 2.14 0.08 0.00 -0.22 0.00 0.00 54.13 56.20 3cdf s LEU 78 Cb -0.15 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3cdf s LEU 78 CO -0.12 -0.74 0.01 -1.10 -1.32 0.00 0.00 176.35 173.09 3cdf s GLN 79 N 2.47 2.39 0.33 1.98 -1.52 -1.26 0.29 119.66 124.34 3cdf s GLN 79 Ca 0.65 -1.23 0.08 0.00 -1.95 0.00 0.00 55.36 52.90 3cdf s GLN 79 Cb -0.32 -2.29 0.79 0.00 -0.22 0.00 0.00 33.01 30.97 3cdf s GLN 79 CO 0.27 0.41 1.82 -1.35 -0.25 0.00 0.00 175.29 176.19 3cdf h PRO 80 N 2.28 0.71 0.00 2.91 0.11 -1.99 0.60 132.00 136.62 3cdf h PRO 80 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3cdf h PRO 80 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3cdf h PRO 80 CO 0.59 0.47 0.00 -0.85 -0.21 0.00 0.00 178.00 178.00 3cdf n GLU 81 N -4.64 0.06 0.00 1.05 0.00 -1.26 -2.12 120.64 113.73 3cdf n GLU 81 Ca 0.21 0.21 0.12 0.00 0.00 0.00 0.00 57.16 57.70 3cdf n GLU 81 Cb 0.54 -1.50 0.29 0.00 0.00 0.00 0.00 31.44 30.76 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 -1.44 1.10 -4.68 -1.84 8.00 0.20 -4.86 116.55 113.04 3cdf n ASP 82 Ca 0.05 -0.90 -0.42 0.00 0.71 0.00 0.00 54.79 54.22 3cdf n ASP 82 Cb 0.16 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 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 -2.58 2.98 -0.48 0.53 -1.09 -0.90 -4.84 121.20 114.83 3cdf s ILE 83 Ca 0.21 0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 3cdf s ILE 83 Cb 0.19 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 3cdf s ILE 83 CO 0.56 -0.01 0.00 0.00 -1.23 0.00 0.00 174.94 174.26 3cdf n ALA 84 N 6.30 0.00 -2.74 9.38 0.00 -1.26 -4.99 120.51 127.21 3cdf n ALA 84 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 3cdf n ALA 84 Cb 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.03 4.54 -0.00 0.00 2.01 -0.83 -1.67 115.64 117.66 3cdf s THR 85 Ca 0.00 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 61.75 3cdf s THR 85 Cb 0.00 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 3cdf s THR 85 CO 0.00 0.47 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.86 3cdf s TYR 86 N -1.05 2.10 -0.00 4.92 1.51 -0.30 0.36 117.35 124.90 3cdf s TYR 86 Ca 0.18 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 3cdf s TYR 86 Cb -0.12 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.40 3cdf s TYR 86 CO 0.08 -0.00 -0.09 -1.01 -1.11 0.00 0.00 175.55 173.42 3cdf s HIS 87 N -0.61 0.84 0.24 2.71 3.76 -0.34 -1.19 115.29 120.70 3cdf s HIS 87 Ca 0.09 -0.19 -0.18 0.00 -0.15 0.00 0.00 55.06 54.64 3cdf s HIS 87 Cb -0.09 -0.53 -0.08 0.00 1.11 0.00 0.00 32.58 32.98 3cdf s HIS 87 CO -0.00 -0.01 0.71 0.00 -0.85 0.00 0.00 174.74 174.59 3cdf s GLN 89 N -2.26 0.01 0.11 0.00 0.74 -0.03 -0.24 119.66 117.99 3cdf s GLN 89 Ca 0.46 0.16 -0.14 0.00 0.05 0.00 0.00 55.36 55.90 3cdf s GLN 89 Cb -0.15 -0.27 -0.06 0.00 1.10 0.00 0.00 33.01 33.63 3cdf s GLN 89 CO 0.20 -0.16 0.50 1.14 -0.55 0.00 0.00 175.29 176.42 3cdf s GLN 90 N 1.01 3.94 -0.07 1.67 1.03 -0.39 -0.90 119.66 125.95 3cdf s GLN 90 Ca -0.09 0.42 0.15 0.00 0.04 0.00 0.00 55.36 55.89 3cdf s GLN 90 Cb -0.12 -3.00 0.31 0.00 0.03 0.00 0.00 33.01 30.22 3cdf s GLN 90 CO -0.03 0.54 1.14 2.48 -2.54 0.00 0.00 175.29 176.88 3cdf n TYR 91 N 1.01 0.00 -0.18 9.60 4.11 -0.48 -3.08 117.16 128.15 3cdf n TYR 91 Ca -0.07 -0.71 -0.04 0.00 -0.00 0.00 0.00 57.90 57.08 3cdf n TYR 91 Cb 0.52 -0.15 0.16 0.00 -0.00 0.00 0.00 39.34 39.86 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 0.63 0.87 -3.38 9.48 3.58 -1.86 -3.45 116.42 122.29 3cdf h ASP 92 Ca -0.09 -0.15 -0.10 0.00 0.42 0.00 0.00 57.03 57.11 3cdf h ASP 92 Cb 1.43 -0.23 -0.25 0.00 1.72 0.00 0.00 39.33 42.00 3cdf h ASP 92 CO 0.04 0.82 -0.24 0.21 -2.88 0.00 0.00 179.24 177.19 3cdf s ASN 93 N -6.52 -0.55 0.50 2.28 2.47 -1.26 -5.14 114.94 106.72 3cdf s ASN 93 Ca -0.10 0.96 -0.23 0.00 0.42 0.00 0.00 52.86 53.90 3cdf s ASN 93 Cb 0.16 0.87 -0.06 0.00 -1.45 0.00 0.00 41.25 40.76 3cdf s ASN 93 CO 0.81 -0.19 1.33 -0.76 -3.72 0.00 0.00 177.10 174.57 3cdf s LEU 94 N 1.11 3.97 0.18 3.21 1.43 -1.26 -3.72 118.68 123.59 3cdf s LEU 94 Ca -0.07 2.70 -0.30 0.00 -1.03 0.00 0.00 54.13 55.43 3cdf s LEU 94 Cb -0.07 -4.17 -0.08 0.00 0.03 0.00 0.00 46.19 41.91 3cdf s LEU 94 CO -0.10 -1.31 1.18 -2.16 0.23 0.00 0.00 176.35 174.20 3cdf s PRO 95 N -2.71 4.51 0.14 1.29 0.04 -1.26 -5.02 135.00 131.98 3cdf s PRO 95 Ca 0.67 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 63.23 3cdf s PRO 95 Cb -0.39 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 30.80 3cdf s PRO 95 CO 0.47 -0.07 1.60 0.71 0.04 0.00 0.00 177.00 179.76 3cdf s TYR 96 N -0.02 2.87 0.10 0.56 2.02 -1.24 -4.74 117.35 116.90 3cdf s TYR 96 Ca 0.52 0.52 0.10 0.00 -0.37 0.00 0.00 57.07 57.84 3cdf s TYR 96 Cb -0.32 -3.95 -0.04 0.00 -0.40 0.00 0.00 41.96 37.25 3cdf s TYR 96 CO 0.36 -3.62 -0.26 0.95 -1.57 0.00 0.00 175.55 171.42 3cdf s THR 97 N 1.55 2.11 0.15 -0.71 -4.23 -1.18 -4.96 115.64 108.37 3cdf s THR 97 Ca 0.72 -1.60 0.06 0.00 -1.18 0.00 0.00 61.69 59.69 3cdf s THR 97 Cb -0.43 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 3cdf s THR 97 CO 0.32 0.14 0.05 -0.36 -0.54 0.00 0.00 174.62 174.23 3cdf s PHE 98 N -0.99 2.98 0.91 3.99 0.08 -1.26 -1.26 117.98 122.43 3cdf s PHE 98 Ca 0.12 -0.07 -0.12 0.00 0.12 0.00 0.00 56.93 56.98 3cdf s PHE 98 Cb -0.10 -1.46 0.14 0.00 -0.57 0.00 0.00 43.02 41.03 3cdf s PHE 98 CO 0.04 0.51 1.11 0.20 -0.10 0.00 0.00 175.22 176.99 3cdf s GLY 99 N -2.87 1.59 0.55 4.36 0.00 0.67 -4.51 107.32 107.10 3cdf s GLY 99 Ca 0.28 -0.36 0.32 0.00 0.00 0.00 0.00 44.72 44.96 3cdf s GLY 99 CO 0.20 0.18 2.08 0.06 0.00 0.00 0.00 173.10 175.62 3cdf h GLN 100 N -1.54 0.00 0.00 2.90 -0.00 -1.86 -3.43 115.11 111.17 3cdf h GLN 100 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.14 3cdf h GLN 100 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 3cdf h GLN 100 CO 0.59 0.08 0.00 0.41 -0.00 0.00 0.00 178.83 179.91 3cdf n GLY 101 N -0.49 2.27 2.96 0.06 0.00 -1.26 -5.05 105.19 103.68 3cdf n GLY 101 Ca -0.01 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.29 1.23 -0.19 2.61 2.01 -0.34 -4.44 115.64 114.23 3cdf s THR 102 Ca 0.00 -0.43 -0.14 0.00 0.31 0.00 0.00 61.69 61.42 3cdf s THR 102 Cb 0.00 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 3cdf s THR 102 CO 0.00 0.40 0.33 -0.75 -0.69 0.00 0.00 174.62 173.91 3cdf s LYS 103 N 1.50 4.20 -0.06 4.92 2.20 -0.65 -1.15 119.74 130.70 3cdf s LYS 103 Ca 0.02 0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.70 3cdf s LYS 103 Cb -0.13 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 3cdf s LYS 103 CO -0.07 0.08 0.14 -0.51 -0.36 0.00 0.00 175.35 174.63 3cdf s LEU 104 N 0.95 4.25 0.06 5.43 1.43 -0.67 -1.34 118.68 128.79 3cdf s LEU 104 Ca 0.17 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 3cdf s LEU 104 Cb -0.14 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 3cdf s LEU 104 CO 0.06 0.33 -0.06 -1.61 0.23 0.00 0.00 176.35 175.30 3cdf s GLU 105 N -1.48 0.62 -0.01 1.70 2.02 -0.39 -4.13 118.70 117.03 3cdf s GLU 105 Ca 0.21 -1.04 -0.30 0.00 0.02 0.00 0.00 54.97 53.86 3cdf s GLU 105 Cb -0.12 -0.09 -0.03 0.00 0.10 0.00 0.00 34.13 33.99 3cdf s GLU 105 CO 0.11 -0.02 0.99 0.42 0.02 0.00 0.00 175.26 176.77 3cdf s ILE 106 N -2.73 4.85 -0.96 -1.63 -1.09 -1.26 -1.66 121.20 116.73 3cdf s ILE 106 Ca 0.00 2.05 0.00 0.00 -2.23 0.00 0.00 60.65 60.47 3cdf s ILE 106 Cb -0.01 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 3cdf s ILE 106 CO -0.04 0.15 0.24 1.17 -1.23 0.00 0.00 174.94 175.23