#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfj s LEU 2 N 0.00 4.35 -0.10 -4.62 2.96 -1.26 -4.92 118.68 115.09 3cfj s LEU 2 Ca 0.00 2.29 0.02 0.00 -0.22 0.00 0.00 54.13 56.22 3cfj s LEU 2 Cb 0.00 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 3cfj s LEU 2 CO 0.00 -0.73 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.43 3cfj s VAL 3 N 1.92 2.70 -0.19 1.68 1.01 -1.26 -4.99 120.40 121.27 3cfj s VAL 3 Ca 0.66 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3cfj s VAL 3 Cb -0.36 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3cfj s VAL 3 CO 0.29 0.55 0.02 -0.69 0.00 0.00 0.00 175.10 175.27 3cfj s VAL 4 N 0.09 4.25 -0.04 2.92 1.01 -1.26 -1.79 120.40 125.58 3cfj s VAL 4 Ca -0.08 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.75 3cfj s VAL 4 Cb -0.15 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3cfj s VAL 4 CO 0.05 0.44 -0.25 -0.89 0.00 0.00 0.00 175.10 174.46 3cfj s THR 5 N 0.72 2.12 0.19 3.92 2.01 -0.22 -3.93 115.64 120.45 3cfj s THR 5 Ca 0.01 -1.07 0.06 0.00 0.31 0.00 0.00 61.69 61.00 3cfj s THR 5 Cb -0.14 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 3cfj s THR 5 CO 0.02 0.58 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.32 3cfj s GLN 6 N -0.43 1.24 0.44 4.92 -0.21 -1.26 -0.99 119.66 123.36 3cfj s GLN 6 Ca 0.05 -1.56 -0.25 0.00 0.02 0.00 0.00 55.36 53.61 3cfj s GLN 6 Cb -0.12 -0.89 -0.08 0.00 1.00 0.00 0.00 33.01 32.92 3cfj s GLN 6 CO 0.01 0.11 1.38 -1.21 -2.12 0.00 0.00 175.29 173.45 3cfj s GLU 7 N -3.71 3.78 0.16 2.91 8.01 -1.26 -4.87 118.70 123.72 3cfj s GLU 7 Ca 0.21 2.31 -0.10 0.00 0.01 0.00 0.00 54.97 57.40 3cfj s GLU 7 Cb 0.01 -2.68 0.02 0.00 -4.31 0.00 0.00 34.13 27.18 3cfj s GLU 7 CO 0.05 -0.70 1.58 0.77 0.01 0.00 0.00 175.26 176.97 3cfj h SER 8 N 2.43 1.00 -3.63 -0.19 0.02 -1.95 -3.33 113.55 107.90 3cfj h SER 8 Ca -0.50 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.06 3cfj h SER 8 Cb 1.26 -0.27 -0.21 0.00 0.14 0.00 0.00 62.40 63.31 3cfj h SER 8 CO 0.62 1.12 0.05 0.00 -1.14 0.00 0.00 176.83 177.48 3cfj s ALA 9 N -4.83 -1.73 0.02 3.77 0.00 -1.26 -1.59 121.76 116.14 3cfj s ALA 9 Ca -0.12 2.08 -0.00 0.00 0.00 0.00 0.00 51.96 53.92 3cfj s ALA 9 Cb 0.12 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 3cfj s ALA 9 CO 0.86 -0.34 -0.02 -0.51 0.00 0.00 0.00 175.76 175.75 3cfj s LEU 11 N 0.83 2.19 -0.05 0.00 1.43 0.08 -4.93 118.68 118.24 3cfj s LEU 11 Ca -0.04 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3cfj s LEU 11 Cb -0.05 0.14 -0.00 0.00 0.03 0.00 0.00 46.19 46.30 3cfj s LEU 11 CO -0.07 -0.30 -0.18 -0.89 0.23 0.00 0.00 176.35 175.14 3cfj s THR 12 N -1.44 1.51 0.12 5.49 2.01 -1.26 -0.88 115.64 121.19 3cfj s THR 12 Ca -0.16 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.09 3cfj s THR 12 Cb -0.10 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 3cfj s THR 12 CO -0.01 0.43 -0.01 0.28 -0.69 0.00 0.00 174.62 174.63 3cfj s THR 13 N 0.04 0.45 0.30 -0.82 -1.32 -0.81 -4.99 115.64 108.49 3cfj s THR 13 Ca -0.05 -1.92 0.02 0.00 -1.21 0.00 0.00 61.69 58.54 3cfj s THR 13 Cb -0.12 -1.86 -0.03 0.00 -1.51 0.00 0.00 72.50 68.97 3cfj s THR 13 CO 0.03 -0.69 0.47 -0.44 -2.21 0.00 0.00 174.62 171.78 3cfj s SER 14 N -3.06 6.31 0.40 8.08 0.01 -1.26 -0.19 113.70 123.98 3cfj s SER 14 Ca 0.17 0.29 -0.27 0.00 1.31 0.00 0.00 55.95 57.45 3cfj s SER 14 Cb 0.07 -1.96 -0.10 0.00 0.21 0.00 0.00 66.02 64.23 3cfj s SER 14 CO -0.02 -0.20 1.42 -2.65 0.41 0.00 0.00 173.24 172.20 3cfj n PRO 15 N -1.63 2.39 0.00 12.44 -0.02 -1.26 -2.40 135.00 144.52 3cfj n PRO 15 Ca -0.07 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3cfj n PRO 15 Cb 0.57 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3cfj n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfj n GLY 16 N 0.58 2.20 3.94 -1.23 0.00 0.59 -4.86 105.19 106.40 3cfj n GLY 16 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3cfj n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cfj s GLU 17 N -0.33 2.95 -0.06 1.61 2.02 -1.01 -3.82 118.70 120.06 3cfj s GLU 17 Ca 0.00 -0.27 -0.15 0.00 0.02 0.00 0.00 54.97 54.57 3cfj s GLU 17 Cb 0.00 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 3cfj s GLU 17 CO 0.00 -0.52 0.40 0.99 0.02 0.00 0.00 175.26 176.15 3cfj s THR 18 N -2.79 5.13 -0.00 3.63 2.01 -1.26 -0.97 115.64 121.39 3cfj s THR 18 Ca 0.52 0.80 0.01 0.00 0.31 0.00 0.00 61.69 63.32 3cfj s THR 18 Cb -0.10 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 3cfj s THR 18 CO 0.41 0.49 -0.04 0.54 -0.69 0.00 0.00 174.62 175.33 3cfj s VAL 19 N -0.42 0.33 -0.13 3.82 0.11 0.48 -4.99 120.40 119.59 3cfj s VAL 19 Ca 0.23 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 3cfj s VAL 19 Cb -0.16 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.43 3cfj s VAL 19 CO 0.11 0.08 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.90 3cfj s THR 20 N -0.13 1.65 -0.12 5.04 2.01 -1.26 0.21 115.64 123.03 3cfj s THR 20 Ca 0.01 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 3cfj s THR 20 Cb -0.02 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3cfj s THR 20 CO -0.00 0.47 0.05 -0.76 -0.69 0.00 0.00 174.62 173.69 3cfj s LEU 21 N 1.19 3.81 0.37 4.42 1.02 0.12 -4.95 118.68 124.66 3cfj s LEU 21 Ca -0.01 0.19 0.08 0.00 0.02 0.00 0.00 54.13 54.41 3cfj s LEU 21 Cb -0.14 -1.91 -0.07 0.00 0.02 0.00 0.00 46.19 44.09 3cfj s LEU 21 CO -0.06 0.32 -0.03 0.42 0.02 0.00 0.00 176.35 177.02 3cfj s THR 22 N -0.53 2.20 -0.18 5.49 -4.23 -1.26 -0.16 115.64 116.96 3cfj s THR 22 Ca 0.10 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 3cfj s THR 22 Cb -0.12 -2.82 0.09 0.00 1.34 0.00 0.00 72.50 71.00 3cfj s THR 22 CO 0.02 -0.11 0.30 0.00 -0.54 0.00 0.00 174.62 174.29 3cfj s ARG 24 N 2.46 1.91 -0.01 0.00 1.70 -0.17 -1.45 118.95 123.39 3cfj s ARG 24 Ca 0.05 -1.54 0.08 0.00 -0.47 0.00 0.00 55.73 53.85 3cfj s ARG 24 Cb -0.14 -1.97 -0.02 0.00 -0.57 0.00 0.00 34.95 32.25 3cfj s ARG 24 CO -0.12 0.37 -0.25 0.45 -1.08 0.00 0.00 175.30 174.68 3cfj s SER 25 N -3.30 2.89 0.43 -2.89 0.15 -1.26 -1.05 113.70 108.66 3cfj s SER 25 Ca 0.28 -0.47 0.23 0.00 0.70 0.00 0.00 55.95 56.69 3cfj s SER 25 Cb -0.07 -0.31 0.32 0.00 -1.71 0.00 0.00 66.02 64.26 3cfj s SER 25 CO 0.16 0.29 1.59 0.77 1.20 0.00 0.00 173.24 177.25 3cfj h SER 26 N 5.38 0.00 1.05 5.45 4.64 -1.73 -3.32 113.55 125.02 3cfj h SER 26 Ca -0.43 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.72 3cfj h SER 26 Cb 1.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3cfj h SER 26 CO 0.47 0.02 -0.81 0.28 -0.87 0.00 0.00 176.83 175.91 3cfj h SER 27 N 0.00 0.00 0.00 4.97 0.02 -1.91 -3.49 113.55 113.14 3cfj h SER 27 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3cfj h SER 27 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3cfj h SER 27 CO 0.00 0.81 0.00 0.61 -1.14 0.00 0.00 176.83 177.11 3cfj n GLY 27 N 1.12 -0.69 3.65 -3.77 0.00 -1.25 -5.12 105.19 99.13 3cfj n GLY 27 Ca 0.00 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 3cfj n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfj n ALA 27 N -0.12 0.69 -2.42 4.61 0.00 -1.26 -4.34 120.51 117.67 3cfj n ALA 27 Ca 0.00 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 3cfj n ALA 27 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 3cfj n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cfj s VAL 27 N -1.30 4.13 0.38 0.00 1.01 0.59 -4.98 120.40 120.23 3cfj s VAL 27 Ca 0.66 1.48 0.08 0.00 0.00 0.00 0.00 61.98 64.20 3cfj s VAL 27 Cb -0.50 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 31.86 3cfj s VAL 27 CO 0.55 0.02 0.01 -0.89 0.00 0.00 0.00 175.10 174.79 3cfj s THR 28 N 2.06 2.26 0.42 3.92 2.01 -1.26 -4.67 115.64 120.38 3cfj s THR 28 Ca 0.58 -1.99 0.22 0.00 0.31 0.00 0.00 61.69 60.80 3cfj s THR 28 Cb -0.26 -2.86 0.42 0.00 0.01 0.00 0.00 72.50 69.80 3cfj s THR 28 CO 0.24 -0.10 1.77 0.74 -0.69 0.00 0.00 174.62 176.58 3cfj h THR 29 N 1.78 0.48 0.00 -0.82 2.02 -1.99 -1.08 112.91 113.31 3cfj h THR 29 Ca -0.43 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3cfj h THR 29 Cb 1.25 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3cfj h THR 29 CO 0.73 0.06 0.00 -1.20 0.37 0.00 0.00 175.52 175.48 3cfj n SER 30 N -4.56 0.00 -0.07 4.18 7.64 -1.26 -1.67 113.62 117.88 3cfj n SER 30 Ca 0.26 0.33 0.13 0.00 1.01 0.00 0.00 58.87 60.59 3cfj n SER 30 Cb 0.96 -0.41 0.34 0.00 -1.01 0.00 0.00 64.21 64.08 3cfj n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cfj n ASN 31 N -1.41 0.58 -4.23 6.43 5.03 -0.41 -4.87 115.26 116.38 3cfj n ASN 31 Ca 0.05 -0.36 -0.30 0.00 0.87 0.00 0.00 54.58 54.83 3cfj n ASN 31 Cb 0.15 0.14 -0.07 0.00 -1.02 0.00 0.00 39.78 38.97 3cfj n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3cfj n TYR 32 N -1.26 -1.38 -1.56 3.10 4.01 -0.67 -1.03 117.16 118.38 3cfj n TYR 32 Ca 0.08 0.66 -0.49 0.00 -0.16 0.00 0.00 57.90 57.99 3cfj n TYR 32 Cb 0.33 -3.01 -0.04 0.00 -0.31 0.00 0.00 39.34 36.32 3cfj n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cfj n ALA 33 N -4.50 -1.11 -2.46 -0.72 0.00 -1.26 -3.94 120.51 106.52 3cfj n ALA 33 Ca -0.28 0.46 -0.26 0.00 0.00 0.00 0.00 53.44 53.36 3cfj n ALA 33 Cb 0.67 -1.96 -0.12 0.00 0.00 0.00 0.00 19.45 18.04 3cfj n ALA 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cfj s THR 34 N -0.40 2.00 0.02 0.00 2.01 -0.46 -0.95 115.64 117.85 3cfj s THR 34 Ca 0.71 -1.73 0.08 0.00 0.31 0.00 0.00 61.69 61.06 3cfj s THR 34 Cb -0.86 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 3cfj s THR 34 CO 0.54 -0.05 -0.24 0.26 -0.69 0.00 0.00 174.62 174.44 3cfj s TRP 35 N -1.30 2.14 -0.04 4.92 0.52 -0.67 -0.62 118.94 123.89 3cfj s TRP 35 Ca 0.12 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.86 3cfj s TRP 35 Cb -0.09 -1.32 0.01 0.00 -1.15 0.00 0.00 33.47 30.92 3cfj s TRP 35 CO 0.06 0.06 -0.09 0.08 0.02 0.00 0.00 176.95 177.08 3cfj s VAL 36 N -0.71 0.82 -0.17 4.03 1.01 0.51 -1.20 120.40 124.69 3cfj s VAL 36 Ca 0.10 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 3cfj s VAL 36 Cb -0.09 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3cfj s VAL 36 CO 0.01 0.27 0.23 -1.58 0.00 0.00 0.00 175.10 174.03 3cfj s GLN 37 N 0.54 4.20 -0.28 2.72 0.74 0.81 -0.01 119.66 128.40 3cfj s GLN 37 Ca -0.09 -0.03 -0.04 0.00 0.05 0.00 0.00 55.36 55.25 3cfj s GLN 37 Cb -0.13 -3.41 0.02 0.00 1.10 0.00 0.00 33.01 30.59 3cfj s GLN 37 CO 0.01 0.28 0.01 -2.00 -0.55 0.00 0.00 175.29 173.05 3cfj s GLU 38 N 0.37 2.90 0.20 1.67 2.12 0.11 -1.01 118.70 125.04 3cfj s GLU 38 Ca 0.13 -0.96 0.04 0.00 0.36 0.00 0.00 54.97 54.54 3cfj s GLU 38 Cb -0.12 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 3cfj s GLU 38 CO 0.02 -0.45 0.29 0.15 -0.54 0.00 0.00 175.26 174.73 3cfj s LYS 39 N 1.39 3.33 0.47 4.30 1.02 0.55 -1.49 119.74 129.32 3cfj s LYS 39 Ca 0.01 -0.74 -0.21 0.00 0.02 0.00 0.00 55.97 55.05 3cfj s LYS 39 Cb -0.17 -2.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.17 3cfj s LYS 39 CO -0.01 0.47 0.59 -2.30 -0.92 0.00 0.00 175.35 173.18 3cfj n PRO 40 N -0.93 0.64 -1.33 -1.68 -0.02 -1.26 -1.43 135.00 128.98 3cfj n PRO 40 Ca -0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3cfj n PRO 40 Cb 0.56 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3cfj n PRO 40 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cfj n ASP 41 N 0.91 -2.14 -3.85 2.55 8.00 -1.26 -4.15 116.55 116.61 3cfj n ASP 41 Ca 0.11 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.33 3cfj n ASP 41 Cb 0.42 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 41.05 3cfj n ASP 41 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3cfj n HIS 42 N -3.32 -1.74 -3.65 1.24 8.25 -1.09 -4.96 115.22 109.95 3cfj n HIS 42 Ca 0.00 0.63 -0.38 0.00 -0.26 0.00 0.00 57.72 57.71 3cfj n HIS 42 Cb 0.19 -3.66 -0.12 0.00 1.12 0.00 0.00 29.99 27.52 3cfj n HIS 42 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3cfj s LEU 43 N -6.80 4.07 -0.06 2.41 1.43 -0.51 -4.96 118.68 114.26 3cfj s LEU 43 Ca 0.17 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3cfj s LEU 43 Cb -0.07 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 3cfj s LEU 43 CO 0.88 -0.17 0.02 -0.36 0.23 0.00 0.00 176.35 176.94 3cfj s PHE 44 N 1.63 3.19 -0.04 0.29 0.08 -1.26 -0.33 117.98 121.53 3cfj s PHE 44 Ca 0.05 0.19 -0.00 0.00 0.12 0.00 0.00 56.93 57.29 3cfj s PHE 44 Cb -0.17 -1.76 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 3cfj s PHE 44 CO 0.07 0.50 -0.00 0.99 -0.10 0.00 0.00 175.22 176.67 3cfj s THR 45 N -0.99 0.29 -0.03 0.64 2.01 -0.18 -4.97 115.64 112.42 3cfj s THR 45 Ca 0.16 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 3cfj s THR 45 Cb -0.11 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 3cfj s THR 45 CO 0.06 0.20 1.19 -0.83 -0.69 0.00 0.00 174.62 174.55 3cfj s GLY 46 N 1.33 2.20 -0.22 4.40 0.00 -1.26 -0.13 107.32 113.64 3cfj s GLY 46 Ca -0.05 0.67 -0.08 0.00 0.00 0.00 0.00 44.72 45.26 3cfj s GLY 46 CO -0.02 2.16 -0.26 1.04 0.00 0.00 0.00 173.10 176.02 3cfj n LEU 47 N 4.88 1.88 -3.88 0.66 4.77 -0.34 -4.74 117.00 120.23 3cfj n LEU 47 Ca 0.10 0.18 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 3cfj n LEU 47 Cb 0.46 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 3cfj n LEU 47 CO 0.55 0.55 -0.38 -0.63 -1.33 0.00 0.00 177.39 176.15 3cfj s ILE 48 N -2.40 0.17 0.21 -0.08 -1.09 -1.23 -1.33 121.20 115.45 3cfj s ILE 48 Ca -0.30 -0.04 0.06 0.00 -2.23 0.00 0.00 60.65 58.15 3cfj s ILE 48 Cb 0.11 -0.18 -0.05 0.00 -1.58 0.00 0.00 42.46 40.75 3cfj s ILE 48 CO 0.41 0.08 -0.10 -0.83 -1.23 0.00 0.00 174.94 173.26 3cfj s GLY 49 N 0.27 1.47 -1.43 6.18 0.00 -0.07 -1.67 107.32 112.07 3cfj s GLY 49 Ca -0.02 -1.70 -0.03 0.00 0.00 0.00 0.00 44.72 42.97 3cfj s GLY 49 CO -0.01 -1.74 0.56 0.61 0.00 0.00 0.00 173.10 172.52 3cfj n GLY 50 N -0.40 -0.28 5.00 0.20 0.00 -1.05 -1.61 105.19 107.05 3cfj n GLY 50 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3cfj n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cfj n THR 51 N -4.40 0.00 -1.49 2.61 -1.04 -0.12 -4.10 114.28 105.74 3cfj n THR 51 Ca -0.24 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.77 3cfj n THR 51 Cb 0.65 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.17 3cfj n THR 51 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3cfj n ASN 52 N 2.20 0.19 -4.39 8.00 0.23 -1.19 -3.29 115.26 117.02 3cfj n ASN 52 Ca 0.00 -1.67 -0.36 0.00 -0.53 0.00 0.00 54.58 52.02 3cfj n ASN 52 Cb 0.00 -0.13 -0.13 0.00 -2.08 0.00 0.00 39.78 37.44 3cfj n ASN 52 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3cfj s LYS 53 N -0.18 3.49 0.11 -3.83 3.01 -0.63 -4.57 119.74 117.13 3cfj s LYS 53 Ca 0.02 -0.58 -0.30 0.00 -1.01 0.00 0.00 55.97 54.10 3cfj s LYS 53 Cb 0.01 -3.25 -0.06 0.00 -1.01 0.00 0.00 37.83 33.53 3cfj s LYS 53 CO 0.00 -0.23 0.97 0.50 0.51 0.00 0.00 175.35 177.09 3cfj s ARG 54 N 1.56 4.69 0.60 1.68 3.52 -1.26 -0.89 118.95 128.85 3cfj s ARG 54 Ca 0.06 1.46 -0.16 0.00 -0.13 0.00 0.00 55.73 56.95 3cfj s ARG 54 Cb -0.15 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 3cfj s ARG 54 CO 0.02 0.21 1.09 0.00 -0.81 0.00 0.00 175.30 175.80 3cfj s ALA 55 N 0.00 2.65 0.33 6.12 0.00 -0.45 -4.92 121.76 125.49 3cfj s ALA 55 Ca 0.47 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.69 3cfj s ALA 55 Cb -0.23 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 3cfj s ALA 55 CO 0.30 -0.93 1.23 -2.30 0.00 0.00 0.00 175.76 174.06 3cfj n PRO 56 N -1.96 1.95 0.00 0.00 -0.02 -1.26 -2.24 135.00 131.47 3cfj n PRO 56 Ca 0.10 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3cfj n PRO 56 Cb 0.52 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3cfj n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfj n GLY 57 N 0.87 2.81 3.74 -1.23 0.00 -1.26 -5.01 105.19 105.11 3cfj n GLY 57 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3cfj n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfj s VAL 58 N -1.16 3.08 0.53 1.61 1.01 -0.95 -4.96 120.40 119.56 3cfj s VAL 58 Ca 0.00 0.89 -0.22 0.00 0.00 0.00 0.00 61.98 62.65 3cfj s VAL 58 Cb 0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3cfj s VAL 58 CO 0.00 0.14 1.37 -2.65 0.00 0.00 0.00 175.10 173.95 3cfj n PRO 59 N 2.51 1.77 0.21 2.72 -0.02 -1.26 -4.87 135.00 136.07 3cfj n PRO 59 Ca 0.06 0.65 0.15 0.00 -2.02 0.00 0.00 63.50 62.34 3cfj n PRO 59 Cb 0.42 -2.58 0.76 0.00 -0.02 0.00 0.00 33.50 32.08 3cfj n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfj h ALA 60 N 1.56 1.00 -0.12 3.55 0.00 -1.99 -2.67 119.26 120.59 3cfj h ALA 60 Ca -0.51 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.44 3cfj h ALA 60 Cb 1.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3cfj h ALA 60 CO 0.58 0.00 0.13 -0.09 0.00 0.00 0.00 179.25 179.87 3cfj h ARG 61 N 0.00 0.00 -5.53 0.00 2.43 -1.89 -3.42 114.38 105.97 3cfj h ARG 61 Ca 0.00 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.55 3cfj h ARG 61 Cb 0.06 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.52 3cfj h ARG 61 CO 0.00 0.00 -0.40 -0.06 -1.51 0.00 0.00 179.97 178.00 3cfj s PHE 62 N -4.64 3.52 0.08 2.20 0.08 -1.01 -1.64 117.98 116.57 3cfj s PHE 62 Ca -0.05 0.55 -0.10 0.00 0.12 0.00 0.00 56.93 57.45 3cfj s PHE 62 Cb 0.15 -2.17 0.01 0.00 -0.57 0.00 0.00 43.02 40.44 3cfj s PHE 62 CO 0.55 0.44 0.22 -1.54 -0.10 0.00 0.00 175.22 174.79 3cfj s SER 63 N -0.16 0.04 0.10 1.36 1.04 -0.59 -4.93 113.70 110.56 3cfj s SER 63 Ca 0.14 -0.52 0.09 0.00 0.48 0.00 0.00 55.95 56.15 3cfj s SER 63 Cb -0.13 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 3cfj s SER 63 CO 0.03 -0.70 -0.22 -0.83 0.98 0.00 0.00 173.24 172.51 3cfj s GLY 64 N -2.62 1.60 0.28 7.32 0.00 -1.26 -0.46 107.32 112.18 3cfj s GLY 64 Ca 0.02 -1.36 -0.16 0.00 0.00 0.00 0.00 44.72 43.23 3cfj s GLY 64 CO -0.09 -1.31 0.79 -1.14 0.00 0.00 0.00 173.10 171.35 3cfj n SER 65 N 1.07 -1.87 -4.75 1.64 3.41 -0.60 -4.38 113.62 108.15 3cfj n SER 65 Ca -0.17 -2.19 -0.36 0.00 -0.26 0.00 0.00 58.87 55.89 3cfj n SER 65 Cb 0.53 3.09 -0.08 0.00 -0.26 0.00 0.00 64.21 67.48 3cfj n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3cfj s LEU 66 N 0.00 3.94 -0.15 1.04 1.43 -1.26 -0.11 118.68 123.57 3cfj s LEU 66 Ca 0.17 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3cfj s LEU 66 Cb -0.04 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.27 3cfj s LEU 66 CO 0.08 0.35 -0.11 -0.63 0.23 0.00 0.00 176.35 176.28 3cfj s ILE 67 N -0.67 1.38 0.00 -0.59 1.01 0.28 -4.90 121.20 117.71 3cfj s ILE 67 Ca 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3cfj s ILE 67 Cb -0.12 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.96 3cfj s ILE 67 CO 0.02 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.91 3cfj n GLY 68 N 4.81 2.94 0.03 6.18 0.00 -1.26 -0.64 105.19 117.25 3cfj n GLY 68 Ca -0.15 0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3cfj n GLY 68 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cfj n ASP 69 N 5.03 0.19 -4.49 1.61 2.03 -1.26 -4.86 116.55 114.79 3cfj n ASP 69 Ca 0.00 0.53 -0.24 0.00 0.52 0.00 0.00 54.79 55.59 3cfj n ASP 69 Cb 0.00 -0.57 -0.10 0.00 -0.72 0.00 0.00 41.12 39.72 3cfj n ASP 69 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3cfj s ARG 70 N -3.04 1.71 0.40 -0.67 0.52 0.18 -0.30 118.95 117.75 3cfj s ARG 70 Ca 0.11 -1.84 -0.15 0.00 -0.52 0.00 0.00 55.73 53.33 3cfj s ARG 70 Cb 0.15 -1.64 -0.08 0.00 0.52 0.00 0.00 34.95 33.89 3cfj s ARG 70 CO 0.47 0.21 0.82 0.00 0.02 0.00 0.00 175.30 176.82 3cfj s ALA 71 N -2.63 3.23 0.00 2.13 0.00 -0.53 -0.56 121.76 123.41 3cfj s ALA 71 Ca 0.31 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.34 3cfj s ALA 71 Cb -0.00 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 3cfj s ALA 71 CO 0.15 0.11 -0.04 0.00 0.00 0.00 0.00 175.76 175.98 3cfj s ALA 72 N -2.23 0.35 -0.18 0.00 0.00 0.85 -0.98 121.76 119.57 3cfj s ALA 72 Ca 0.56 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 3cfj s ALA 72 Cb -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3cfj s ALA 72 CO 0.23 0.07 -0.04 -1.17 0.00 0.00 0.00 175.76 174.85 3cfj s LEU 73 N -0.24 3.13 -0.14 0.00 2.96 0.77 -1.55 118.68 123.60 3cfj s LEU 73 Ca 0.00 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3cfj s LEU 73 Cb -0.02 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 3cfj s LEU 73 CO -0.00 0.11 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.13 3cfj s THR 74 N 0.73 3.11 -0.29 3.68 2.01 0.39 0.10 115.64 125.36 3cfj s THR 74 Ca -0.02 -0.63 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 3cfj s THR 74 Cb -0.15 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.06 3cfj s THR 74 CO 0.02 0.51 0.06 -0.63 -0.69 0.00 0.00 174.62 173.89 3cfj s ILE 75 N 0.49 3.74 -0.25 1.82 1.01 0.13 -1.55 121.20 126.60 3cfj s ILE 75 Ca -0.08 -0.81 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 3cfj s ILE 75 Cb -0.16 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 3cfj s ILE 75 CO 0.04 0.07 0.26 -0.89 0.00 0.00 0.00 174.94 174.42 3cfj s THR 76 N 1.45 5.27 -0.49 2.92 2.01 -0.65 -0.39 115.64 125.77 3cfj s THR 76 Ca 0.02 0.36 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 3cfj s THR 76 Cb -0.17 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 3cfj s THR 76 CO 0.01 0.26 0.43 0.61 -0.69 0.00 0.00 174.62 175.24 3cfj n GLY 77 N 4.52 -0.10 3.69 4.40 0.00 -0.55 -4.76 105.19 112.39 3cfj n GLY 77 Ca -0.12 0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3cfj n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfj n ALA 78 N -2.28 1.38 -2.75 4.61 0.00 -0.15 -4.38 120.51 116.94 3cfj n ALA 78 Ca -0.03 0.39 -0.22 0.00 0.00 0.00 0.00 53.44 53.58 3cfj n ALA 78 Cb 0.55 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 3cfj n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3cfj s GLN 79 N -0.81 2.68 0.37 0.00 -1.52 -1.26 -0.30 119.66 118.81 3cfj s GLN 79 Ca 0.64 -1.20 0.06 0.00 -1.95 0.00 0.00 55.36 52.92 3cfj s GLN 79 Cb -0.60 -2.41 0.77 0.00 -0.22 0.00 0.00 33.01 30.55 3cfj s GLN 79 CO 0.53 0.39 1.97 1.79 -0.25 0.00 0.00 175.29 179.72 3cfj h THR 80 N 1.66 1.03 0.00 -0.19 1.35 -1.94 -1.08 112.91 113.73 3cfj h THR 80 Ca -0.47 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3cfj h THR 80 Cb 1.24 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3cfj h THR 80 CO 0.61 0.13 0.00 -1.84 -0.25 0.00 0.00 175.52 174.17 3cfj n GLU 81 N -4.48 0.39 0.00 4.72 0.00 -1.18 -2.48 120.64 117.61 3cfj n GLU 81 Ca 0.10 0.07 0.14 0.00 0.00 0.00 0.00 57.16 57.47 3cfj n GLU 81 Cb 0.22 -1.50 0.80 0.00 0.00 0.00 0.00 31.44 30.96 3cfj n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3cfj n ASP 82 N -1.19 0.00 -4.68 -1.84 8.00 -0.41 -4.82 116.55 111.61 3cfj n ASP 82 Ca 0.11 -0.54 -0.42 0.00 0.71 0.00 0.00 54.79 54.64 3cfj n ASP 82 Cb 0.12 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 3cfj n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3cfj s GLU 83 N -2.27 4.19 0.00 -1.24 2.02 -1.04 -4.87 118.70 115.49 3cfj s GLU 83 Ca 0.36 2.34 0.00 0.00 0.02 0.00 0.00 54.97 57.69 3cfj s GLU 83 Cb 0.20 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.70 3cfj s GLU 83 CO 0.38 -0.78 0.00 0.00 0.02 0.00 0.00 175.26 174.88 3cfj n ALA 84 N 6.07 0.00 -2.80 5.21 0.00 -1.19 -4.90 120.51 122.91 3cfj n ALA 84 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 3cfj n ALA 84 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 3cfj n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3cfj s ILE 85 N -2.00 5.11 -0.22 0.00 1.01 -0.55 -1.09 121.20 123.46 3cfj s ILE 85 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.69 3cfj s ILE 85 Cb 0.00 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 3cfj s ILE 85 CO 0.00 0.52 -0.05 -0.31 0.00 0.00 0.00 174.94 175.10 3cfj s TYR 86 N -0.20 2.96 -0.19 3.97 2.02 -0.15 0.04 117.35 125.81 3cfj s TYR 86 Ca 0.09 -1.06 -0.07 0.00 -0.37 0.00 0.00 57.07 55.66 3cfj s TYR 86 Cb -0.12 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 3cfj s TYR 86 CO 0.01 -0.59 0.05 -0.06 -1.57 0.00 0.00 175.55 173.39 3cfj s PHE 87 N 1.45 3.18 0.28 2.71 0.40 0.99 -0.92 117.98 126.08 3cfj s PHE 87 Ca 0.05 -0.07 -0.09 0.00 -0.60 0.00 0.00 56.93 56.23 3cfj s PHE 87 Cb -0.15 -2.09 -0.07 0.00 0.51 0.00 0.00 43.02 41.23 3cfj s PHE 87 CO -0.04 0.03 0.60 0.00 0.70 0.00 0.00 175.22 176.51 3cfj s ALA 89 N -2.00 -0.03 -0.07 0.00 0.00 0.21 0.09 121.76 119.96 3cfj s ALA 89 Ca 0.47 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.44 3cfj s ALA 89 Cb -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3cfj s ALA 89 CO 0.25 -0.03 -0.15 -0.51 0.00 0.00 0.00 175.76 175.32 3cfj s LEU 90 N -0.18 2.65 -0.03 0.00 1.43 -0.40 -1.35 118.68 120.79 3cfj s LEU 90 Ca -0.02 -0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 52.57 3cfj s LEU 90 Cb -0.01 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3cfj s LEU 90 CO -0.00 0.29 0.75 0.26 0.23 0.00 0.00 176.35 177.88 3cfj s TRP 91 N -0.42 3.62 -0.41 0.29 0.52 -0.19 -0.67 118.94 121.68 3cfj s TRP 91 Ca 0.05 1.35 0.02 0.00 0.02 0.00 0.00 56.10 57.54 3cfj s TRP 91 Cb -0.12 -2.85 0.15 0.00 -1.15 0.00 0.00 33.47 29.50 3cfj s TRP 91 CO 0.02 0.12 0.26 1.21 0.02 0.00 0.00 176.95 178.57 3cfj s ASN 92 N 0.64 2.95 1.49 2.95 3.04 -0.40 -4.37 114.94 121.25 3cfj s ASN 92 Ca 0.40 -2.57 0.00 0.00 0.04 0.00 0.00 52.86 50.72 3cfj s ASN 92 Cb -0.19 -0.65 0.00 0.00 -1.54 0.00 0.00 41.25 38.87 3cfj s ASN 92 CO 0.20 -0.26 0.00 -0.24 -3.04 0.00 0.00 177.10 173.77 3cfj n SER 93 N 3.56 0.00 0.24 -4.21 2.88 -1.26 -2.63 113.62 112.20 3cfj n SER 93 Ca 0.15 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.79 3cfj n SER 93 Cb 0.38 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.47 3cfj n SER 93 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3cfj h ASN 94 N 0.00 0.00 -2.86 -3.46 4.21 -2.02 -3.47 115.58 107.98 3cfj h ASN 94 Ca 0.00 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 56.91 3cfj h ASN 94 Cb 0.00 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.10 3cfj h ASN 94 CO 0.00 0.17 -0.62 -1.00 -1.29 0.00 0.00 177.43 174.69 3cfj s HIS 95 N -4.11 2.98 -0.11 1.19 3.76 -1.08 -5.11 115.29 112.80 3cfj s HIS 95 Ca -0.02 -0.08 -0.03 0.00 -0.15 0.00 0.00 55.06 54.78 3cfj s HIS 95 Cb 0.13 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.34 3cfj s HIS 95 CO 0.62 0.52 0.00 -1.17 -0.85 0.00 0.00 174.74 173.85 3cfj s LEU 96 N -2.93 3.55 -0.15 0.89 2.96 -1.26 -1.27 118.68 120.47 3cfj s LEU 96 Ca 0.29 0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 54.28 3cfj s LEU 96 Cb -0.10 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.79 3cfj s LEU 96 CO 0.20 0.31 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.76 3cfj s VAL 97 N -0.45 1.28 0.30 1.68 1.01 0.16 -4.97 120.40 119.40 3cfj s VAL 97 Ca 0.08 -0.58 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 3cfj s VAL 97 Cb -0.12 -1.32 -0.10 0.00 0.00 0.00 0.00 36.38 34.84 3cfj s VAL 97 CO 0.02 0.29 0.96 -0.36 0.00 0.00 0.00 175.10 176.01 3cfj s PHE 98 N 1.59 3.75 1.13 5.22 0.08 -1.26 -1.28 117.98 127.21 3cfj s PHE 98 Ca 0.03 1.81 -0.17 0.00 0.12 0.00 0.00 56.93 58.72 3cfj s PHE 98 Cb -0.14 -2.98 0.25 0.00 -0.57 0.00 0.00 43.02 39.59 3cfj s PHE 98 CO -0.09 0.18 1.13 0.20 -0.10 0.00 0.00 175.22 176.54 3cfj s GLY 99 N -1.43 1.60 0.08 4.36 0.00 0.11 -4.56 107.32 107.48 3cfj s GLY 99 Ca 0.47 -0.85 0.25 0.00 0.00 0.00 0.00 44.72 44.59 3cfj s GLY 99 CO 0.28 -0.04 1.78 0.61 0.00 0.00 0.00 173.10 175.72 3cfj n GLY 100 N -1.31 -1.43 0.00 0.20 0.00 -1.25 -4.81 105.19 96.60 3cfj n GLY 100 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3cfj n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfj n GLY 101 N 0.99 1.22 3.13 -0.02 0.00 -1.26 -5.02 105.19 104.22 3cfj n GLY 101 Ca 0.05 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 3cfj n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cfj s THR 102 N -2.19 1.93 -0.19 2.61 2.01 -0.09 -4.46 115.64 115.27 3cfj s THR 102 Ca 0.00 -0.89 -0.27 0.00 0.31 0.00 0.00 61.69 60.84 3cfj s THR 102 Cb 0.00 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 3cfj s THR 102 CO 0.00 0.52 0.92 -0.75 -0.69 0.00 0.00 174.62 174.62 3cfj s LYS 103 N 1.01 4.29 -0.30 4.92 2.20 -0.62 -0.98 119.74 130.26 3cfj s LYS 103 Ca -0.03 1.17 -0.10 0.00 -0.36 0.00 0.00 55.97 56.65 3cfj s LYS 103 Cb -0.15 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.56 3cfj s LYS 103 CO -0.05 -0.44 0.16 -1.17 -0.36 0.00 0.00 175.35 173.49 3cfj s LEU 104 N 2.52 4.07 -0.15 5.43 2.96 -0.25 -0.74 118.68 132.52 3cfj s LEU 104 Ca 0.41 -0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 53.83 3cfj s LEU 104 Cb -0.16 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 3cfj s LEU 104 CO 0.11 -0.16 0.18 -0.70 -1.32 0.00 0.00 176.35 174.46 3cfj s GLU 105 N 1.65 3.90 -0.26 1.98 2.12 -0.06 -3.14 118.70 124.88 3cfj s GLU 105 Ca 0.05 -0.09 -0.12 0.00 0.36 0.00 0.00 54.97 55.17 3cfj s GLU 105 Cb -0.17 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 3cfj s GLU 105 CO 0.07 0.50 0.22 0.42 -0.54 0.00 0.00 175.26 175.93 3cfj s ILE 106 N -0.25 5.30 0.57 -3.70 -1.09 -1.26 -1.93 121.20 118.84 3cfj s ILE 106 Ca 0.13 0.26 -0.19 0.00 -2.23 0.00 0.00 60.65 58.62 3cfj s ILE 106 Cb -0.12 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 3cfj s ILE 106 CO 0.02 0.27 1.16 -0.54 -1.23 0.00 0.00 174.94 174.63 3cfj s LYS 107 N 1.53 3.17 0.32 2.79 1.02 0.73 -4.96 119.74 124.34 3cfj s LYS 107 Ca 0.09 1.70 -0.06 0.00 0.02 0.00 0.00 55.97 57.72 3cfj s LYS 107 Cb -0.15 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 3cfj s LYS 107 CO 0.08 -1.02 0.49 -0.98 -0.92 0.00 0.00 175.35 173.01 3cfj s ARG 108 N -3.32 1.83 0.62 1.68 1.04 -1.26 -4.44 118.95 115.10 3cfj s ARG 108 Ca 0.75 -1.60 -0.18 0.00 -1.04 0.00 0.00 55.73 53.65 3cfj s ARG 108 Cb -0.27 0.46 -0.02 0.00 -2.04 0.00 0.00 34.95 33.08 3cfj s ARG 108 CO 0.30 -0.77 1.22 0.95 -0.04 0.00 0.00 175.30 176.96 3cfj s THR 109 N -3.25 2.50 0.40 4.99 -4.23 -1.26 -4.93 115.64 109.86 3cfj s THR 109 Ca 0.27 0.30 -0.27 0.00 -1.18 0.00 0.00 61.69 60.82 3cfj s THR 109 Cb -0.01 -3.09 -0.10 0.00 1.34 0.00 0.00 72.50 70.64 3cfj s THR 109 CO 0.16 -0.08 1.45 0.52 -0.54 0.00 0.00 174.62 176.14 3cfj n VAL 110 N -1.78 2.23 -3.87 2.29 0.31 -1.26 -4.82 118.33 111.43 3cfj n VAL 110 Ca 0.14 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.77 3cfj n VAL 110 Cb 0.49 -1.89 -0.17 0.00 -0.91 0.00 0.00 33.84 31.36 3cfj n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cfj s ALA 111 N -1.14 0.50 0.35 3.52 0.00 -0.13 -4.94 121.76 119.92 3cfj s ALA 111 Ca 0.56 0.03 -0.26 0.00 0.00 0.00 0.00 51.96 52.29 3cfj s ALA 111 Cb -0.48 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.02 3cfj s ALA 111 CO 0.62 -0.26 1.05 0.00 0.00 0.00 0.00 175.76 177.17 3cfj s ALA 112 N 1.51 3.19 0.54 0.00 0.00 -1.26 -0.83 121.76 124.91 3cfj s ALA 112 Ca -0.03 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 52.46 3cfj s ALA 112 Cb -0.13 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3cfj s ALA 112 CO -0.03 -0.15 1.20 -1.25 0.00 0.00 0.00 175.76 175.53 3cfj s PRO 113 N -2.12 3.27 0.12 0.00 0.04 -1.26 -4.66 135.00 130.38 3cfj s PRO 113 Ca 0.53 1.81 -0.22 0.00 0.04 0.00 0.00 61.00 63.16 3cfj s PRO 113 Cb -0.24 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 3cfj s PRO 113 CO 0.31 -0.96 0.67 -1.12 0.04 0.00 0.00 177.00 175.93 3cfj s SER 114 N -1.50 7.22 -0.05 6.66 0.01 -0.81 -4.84 113.70 120.38 3cfj s SER 114 Ca 0.72 1.45 0.06 0.00 1.31 0.00 0.00 55.95 59.49 3cfj s SER 114 Cb -0.30 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 3cfj s SER 114 CO 0.34 0.24 -0.24 -0.69 0.41 0.00 0.00 173.24 173.30 3cfj s VAL 115 N -1.13 2.18 0.01 3.43 1.01 -1.26 -0.24 120.40 124.41 3cfj s VAL 115 Ca 0.32 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3cfj s VAL 115 Cb -0.21 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 3cfj s VAL 115 CO 0.22 0.57 -0.04 -0.36 0.00 0.00 0.00 175.10 175.49 3cfj s PHE 116 N -0.27 0.37 -0.02 5.22 0.40 -0.24 -4.98 117.98 118.45 3cfj s PHE 116 Ca -0.00 -0.25 0.08 0.00 -0.60 0.00 0.00 56.93 56.16 3cfj s PHE 116 Cb -0.13 -0.24 -0.02 0.00 0.51 0.00 0.00 43.02 43.14 3cfj s PHE 116 CO 0.03 -0.06 -0.25 -1.50 0.70 0.00 0.00 175.22 174.14 3cfj s ILE 117 N -0.65 2.11 -0.11 0.64 2.07 -1.26 -0.25 121.20 123.75 3cfj s ILE 117 Ca -0.05 -1.08 0.02 0.00 -1.41 0.00 0.00 60.65 58.13 3cfj s ILE 117 Cb -0.05 -1.73 0.01 0.00 0.13 0.00 0.00 42.46 40.82 3cfj s ILE 117 CO -0.00 0.58 -0.17 -0.36 -1.91 0.00 0.00 174.94 173.08 3cfj s PHE 118 N -0.58 2.11 0.83 3.50 0.40 0.55 -5.00 117.98 119.79 3cfj s PHE 118 Ca 0.09 -1.01 -0.12 0.00 -0.60 0.00 0.00 56.93 55.29 3cfj s PHE 118 Cb -0.10 -1.50 0.09 0.00 0.51 0.00 0.00 43.02 42.01 3cfj s PHE 118 CO -0.01 -0.50 1.10 -1.25 0.70 0.00 0.00 175.22 175.26 3cfj s PRO 119 N 0.95 1.84 0.64 0.24 0.04 -1.26 -1.86 135.00 135.59 3cfj s PRO 119 Ca -0.07 0.62 -0.17 0.00 0.04 0.00 0.00 61.00 61.42 3cfj s PRO 119 Cb -0.15 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 3cfj s PRO 119 CO -0.02 -1.79 1.19 -1.25 0.04 0.00 0.00 177.00 175.18 3cfj s PRO 120 N -5.14 2.72 0.71 0.56 0.04 -1.13 -4.83 135.00 127.92 3cfj s PRO 120 Ca 0.62 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 3cfj s PRO 120 Cb -0.15 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.50 3cfj s PRO 120 CO 0.54 -1.38 1.08 -1.54 0.04 0.00 0.00 177.00 175.74 3cfj s SER 121 N -1.88 5.41 0.35 6.66 1.04 -1.26 -4.96 113.70 119.07 3cfj s SER 121 Ca 0.75 1.26 0.08 0.00 0.48 0.00 0.00 55.95 58.52 3cfj s SER 121 Cb -0.28 -2.10 0.67 0.00 0.10 0.00 0.00 66.02 64.40 3cfj s SER 121 CO 0.38 -1.38 1.85 0.44 0.98 0.00 0.00 173.24 175.51 3cfj h ASP 122 N -0.68 0.27 -0.52 7.02 3.32 -2.00 -2.91 116.42 120.93 3cfj h ASP 122 Ca -0.45 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 56.54 3cfj h ASP 122 Cb 1.24 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 3cfj h ASP 122 CO 0.62 0.48 0.34 -0.33 -1.72 0.00 0.00 179.24 178.63 3cfj h GLU 123 N 0.26 0.67 -0.87 3.56 5.08 -2.01 -2.56 114.58 118.71 3cfj h GLU 123 Ca 0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3cfj h GLU 123 Cb 0.49 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3cfj h GLU 123 CO 0.03 0.44 0.50 0.37 -1.00 0.00 0.00 179.01 179.36 3cfj h GLN 124 N 0.69 1.19 -0.04 2.33 4.15 -1.86 -2.93 115.11 118.65 3cfj h GLN 124 Ca 0.19 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 3cfj h GLN 124 Cb -0.07 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.37 3cfj h GLN 124 CO -0.05 0.86 -0.28 -0.07 -1.93 0.00 0.00 178.83 177.36 3cfj h LEU 125 N 1.20 0.07 -1.99 -2.39 3.38 -1.28 0.96 115.31 115.26 3cfj h LEU 125 Ca 0.31 -0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.45 3cfj h LEU 125 Cb -0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3cfj h LEU 125 CO -0.05 0.36 0.52 0.11 0.09 0.00 0.00 178.44 179.46 3cfj h LYS 126 N 0.07 0.00 -0.00 1.13 1.57 -1.27 -2.74 116.57 115.33 3cfj h LYS 126 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3cfj h LYS 126 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3cfj h LYS 126 CO 0.04 0.00 -0.48 -1.13 -0.57 0.00 0.00 179.45 177.31 3cfj n SER 127 N -4.20 0.73 0.00 0.86 3.41 0.33 -4.97 113.62 109.78 3cfj n SER 127 Ca 0.13 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3cfj n SER 127 Cb 0.78 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 3cfj n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfj n GLY 128 N 1.45 0.23 3.46 5.00 0.00 -1.03 -5.08 105.19 109.23 3cfj n GLY 128 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3cfj n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfj s THR 129 N -2.05 1.80 -0.06 2.61 -4.23 -1.26 -1.23 115.64 111.23 3cfj s THR 129 Ca 0.00 -2.14 -0.01 0.00 -1.18 0.00 0.00 61.69 58.36 3cfj s THR 129 Cb 0.00 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.35 3cfj s THR 129 CO 0.00 -0.26 0.01 0.00 -0.54 0.00 0.00 174.62 173.83 3cfj s ALA 130 N -2.90 0.55 -0.16 3.99 0.00 0.08 -3.96 121.76 119.36 3cfj s ALA 130 Ca 0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 3cfj s ALA 130 Cb 0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3cfj s ALA 130 CO 0.13 -0.39 -0.06 -1.12 0.00 0.00 0.00 175.76 174.32 3cfj s SER 131 N 1.84 4.59 -0.16 0.00 0.01 -1.26 -1.71 113.70 117.01 3cfj s SER 131 Ca 0.02 -0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.06 3cfj s SER 131 Cb -0.12 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.34 3cfj s SER 131 CO -0.04 0.15 -0.06 -0.69 0.41 0.00 0.00 173.24 173.01 3cfj s VAL 132 N 0.47 3.64 -0.09 3.43 1.01 -0.03 -2.84 120.40 125.99 3cfj s VAL 132 Ca -0.05 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3cfj s VAL 132 Cb -0.15 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 3cfj s VAL 132 CO 0.03 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 174.81 3cfj s VAL 133 N 0.52 3.19 -0.13 2.92 1.01 -0.78 -0.09 120.40 127.03 3cfj s VAL 133 Ca -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3cfj s VAL 133 Cb -0.15 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 3cfj s VAL 133 CO 0.03 0.56 -0.17 0.00 0.00 0.00 0.00 175.10 175.52 3cfj s LEU 135 N 0.59 3.05 -0.30 0.00 2.96 0.66 -0.86 118.68 124.77 3cfj s LEU 135 Ca -0.10 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3cfj s LEU 135 Cb -0.16 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.79 3cfj s LEU 135 CO 0.03 0.08 0.09 -0.76 -1.32 0.00 0.00 176.35 174.47 3cfj s LEU 136 N 0.90 3.93 -0.13 -0.68 1.02 -0.17 -1.08 118.68 122.47 3cfj s LEU 136 Ca -0.01 -0.78 -0.03 0.00 0.02 0.00 0.00 54.13 53.33 3cfj s LEU 136 Cb -0.15 -1.88 -0.03 0.00 0.02 0.00 0.00 46.19 44.15 3cfj s LEU 136 CO 0.01 -0.22 -0.02 0.21 0.02 0.00 0.00 176.35 176.36 3cfj s ASN 137 N 1.48 5.00 -0.99 2.29 2.47 0.67 -0.34 114.94 125.53 3cfj s ASN 137 Ca 0.02 -0.02 -0.10 0.00 0.42 0.00 0.00 52.86 53.18 3cfj s ASN 137 Cb -0.18 -1.66 -0.02 0.00 -1.45 0.00 0.00 41.25 37.95 3cfj s ASN 137 CO 0.03 0.25 0.78 0.59 -3.72 0.00 0.00 177.10 175.02 3cfj n ASN 138 N 3.02 -6.13 -4.53 -4.21 5.03 -0.84 -1.93 115.26 105.66 3cfj n ASN 138 Ca -0.18 -0.73 -0.25 0.00 0.87 0.00 0.00 54.58 54.29 3cfj n ASN 138 Cb 0.53 -4.00 -0.10 0.00 -1.02 0.00 0.00 39.78 35.19 3cfj n ASN 138 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 3cfj s PHE 139 N -3.28 2.39 -0.24 3.10 -0.12 0.77 -4.61 117.98 115.99 3cfj s PHE 139 Ca 0.30 -0.44 -0.17 0.00 -0.05 0.00 0.00 56.93 56.58 3cfj s PHE 139 Cb -0.09 -1.28 0.07 0.00 -0.63 0.00 0.00 43.02 41.09 3cfj s PHE 139 CO 0.81 0.61 0.60 -0.47 -0.05 0.00 0.00 175.22 176.73 3cfj s TYR 140 N -2.57 -0.81 0.32 3.49 6.14 -0.01 -0.48 117.35 123.43 3cfj s TYR 140 Ca 0.32 1.76 -0.05 0.00 0.64 0.00 0.00 57.07 59.74 3cfj s TYR 140 Cb -0.00 0.40 0.07 0.00 0.42 0.00 0.00 41.96 42.85 3cfj s TYR 140 CO 0.16 -0.41 0.43 -0.35 0.64 0.00 0.00 175.55 176.02 3cfj n PRO 141 N 3.69 -0.52 -0.09 4.97 -0.04 -1.26 -0.96 135.00 140.79 3cfj n PRO 141 Ca -0.18 -0.66 -0.10 0.00 -0.04 0.00 0.00 63.50 62.52 3cfj n PRO 141 Cb 0.57 -0.45 0.04 0.00 -0.04 0.00 0.00 33.50 33.61 3cfj n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3cfj h ARG 142 N 0.00 0.83 -6.45 0.54 2.43 -1.99 -3.45 114.38 106.30 3cfj h ARG 142 Ca -0.14 -0.40 -0.53 0.00 -0.81 0.00 0.00 59.98 58.11 3cfj h ARG 142 Cb 0.39 -0.01 0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3cfj h ARG 142 CO 0.10 1.03 1.15 -1.83 -1.51 0.00 0.00 179.97 178.91 3cfj s GLU 143 N -4.45 4.14 -0.14 0.20 1.03 -1.26 -4.97 118.70 113.25 3cfj s GLU 143 Ca -0.10 2.59 -0.12 0.00 0.03 0.00 0.00 54.97 57.37 3cfj s GLU 143 Cb 0.12 -3.80 0.04 0.00 -0.80 0.00 0.00 34.13 29.69 3cfj s GLU 143 CO 0.86 -0.88 0.37 0.00 -1.33 0.00 0.00 175.26 174.27 3cfj s ALA 144 N 3.37 -0.91 -0.16 -0.84 0.00 -1.26 -4.61 121.76 117.35 3cfj s ALA 144 Ca 0.83 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.86 3cfj s ALA 144 Cb -0.44 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 3cfj s ALA 144 CO 0.38 -0.19 -0.03 0.21 0.00 0.00 0.00 175.76 176.14 3cfj s LYS 145 N 0.41 3.69 -0.16 0.00 2.20 -0.72 -5.00 119.74 120.15 3cfj s LYS 145 Ca -0.02 -0.51 -0.04 0.00 -0.36 0.00 0.00 55.97 55.05 3cfj s LYS 145 Cb -0.04 -2.95 -0.02 0.00 -1.51 0.00 0.00 37.83 33.30 3cfj s LYS 145 CO -0.02 0.22 -0.04 0.08 -0.36 0.00 0.00 175.35 175.23 3cfj s VAL 146 N 0.43 3.78 -0.12 4.02 1.01 -1.26 -1.94 120.40 126.32 3cfj s VAL 146 Ca -0.03 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3cfj s VAL 146 Cb -0.14 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3cfj s VAL 146 CO 0.03 0.48 -0.22 -1.10 0.00 0.00 0.00 175.10 174.29 3cfj s GLN 147 N 0.53 3.09 -0.06 2.72 -0.21 0.37 -4.97 119.66 121.12 3cfj s GLN 147 Ca -0.03 -0.84 -0.14 0.00 0.02 0.00 0.00 55.36 54.36 3cfj s GLN 147 Cb -0.14 -2.40 -0.05 0.00 1.00 0.00 0.00 33.01 31.41 3cfj s GLN 147 CO 0.03 0.11 0.36 -1.58 -2.12 0.00 0.00 175.29 172.09 3cfj s TRP 148 N 0.53 3.63 -0.01 0.91 0.52 -1.26 -0.74 118.94 122.51 3cfj s TRP 148 Ca -0.13 0.84 0.03 0.00 0.02 0.00 0.00 56.10 56.86 3cfj s TRP 148 Cb -0.17 -2.29 -0.00 0.00 -1.15 0.00 0.00 33.47 29.85 3cfj s TRP 148 CO 0.05 0.51 -0.09 0.15 0.02 0.00 0.00 176.95 177.58 3cfj s LYS 149 N -0.53 0.82 -0.17 4.98 1.02 -0.60 -0.79 119.74 124.47 3cfj s LYS 149 Ca 0.21 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 3cfj s LYS 149 Cb -0.15 -0.79 0.05 0.00 -0.52 0.00 0.00 37.83 36.42 3cfj s LYS 149 CO 0.10 0.18 -0.04 0.08 -0.92 0.00 0.00 175.35 174.75 3cfj s VAL 150 N -0.09 1.05 -1.63 3.17 1.01 -0.78 -1.03 120.40 122.09 3cfj s VAL 150 Ca 0.02 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 3cfj s VAL 150 Cb -0.05 -1.28 0.11 0.00 0.00 0.00 0.00 36.38 35.16 3cfj s VAL 150 CO -0.00 0.05 0.63 0.47 0.00 0.00 0.00 175.10 176.25 3cfj n ASP 151 N 4.88 -2.16 -0.12 3.32 8.00 0.16 -1.49 116.55 129.15 3cfj n ASP 151 Ca -0.11 -1.05 -0.02 0.00 0.71 0.00 0.00 54.79 54.32 3cfj n ASP 151 Cb 0.47 -2.66 -0.01 0.00 -0.02 0.00 0.00 41.12 38.91 3cfj n ASP 151 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3cfj n ASN 152 N -2.74 -4.64 -4.67 -2.24 4.05 -1.26 -5.01 115.26 98.74 3cfj n ASN 152 Ca -0.05 0.04 -0.38 0.00 0.45 0.00 0.00 54.58 54.64 3cfj n ASN 152 Cb 0.55 -2.28 -0.07 0.00 1.23 0.00 0.00 39.78 39.21 3cfj n ASN 152 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3cfj s ALA 153 N -1.57 3.56 0.10 5.20 0.00 -0.56 -5.02 121.76 123.47 3cfj s ALA 153 Ca 0.00 -0.52 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 3cfj s ALA 153 Cb 0.00 -2.63 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 3cfj s ALA 153 CO 0.00 -0.30 1.81 -1.17 0.00 0.00 0.00 175.76 176.10 3cfj s LEU 154 N 1.31 4.40 0.30 0.00 2.96 -1.26 -1.86 118.68 124.52 3cfj s LEU 154 Ca 0.19 2.68 -0.18 0.00 -0.22 0.00 0.00 54.13 56.60 3cfj s LEU 154 Cb -0.15 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 3cfj s LEU 154 CO 0.08 -0.99 0.78 -1.10 -1.32 0.00 0.00 176.35 173.80 3cfj s GLN 155 N 3.00 4.18 -0.15 1.98 -1.52 0.03 -4.98 119.66 122.21 3cfj s GLN 155 Ca 0.80 0.86 -0.08 0.00 -1.95 0.00 0.00 55.36 55.00 3cfj s GLN 155 Cb -0.44 -2.61 0.05 0.00 -0.22 0.00 0.00 33.01 29.80 3cfj s GLN 155 CO 0.36 0.24 0.35 0.45 -0.25 0.00 0.00 175.29 176.44 3cfj s SER 156 N -1.96 -0.41 0.00 5.90 0.15 -1.26 -4.73 113.70 111.38 3cfj s SER 156 Ca 0.50 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.91 3cfj s SER 156 Cb -0.13 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 3cfj s SER 156 CO 0.19 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.05 3cfj n GLY 157 N 4.28 0.48 0.76 9.45 0.00 -1.26 -4.87 105.19 114.03 3cfj n GLY 157 Ca -0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.83 3cfj n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cfj n ASN 158 N -0.07 1.28 -4.04 1.61 6.94 -1.26 -5.05 115.26 114.67 3cfj n ASN 158 Ca 0.00 -2.79 -0.10 0.00 -0.02 0.00 0.00 54.58 51.66 3cfj n ASN 158 Cb 0.03 -0.38 -0.11 0.00 -2.36 0.00 0.00 39.78 36.97 3cfj n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3cfj s SER 159 N -2.36 0.57 0.08 0.53 1.04 -1.26 -1.18 113.70 111.12 3cfj s SER 159 Ca 0.28 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 56.08 3cfj s SER 159 Cb 0.29 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 3cfj s SER 159 CO -0.07 -0.33 -0.05 -1.10 0.98 0.00 0.00 173.24 172.67 3cfj s GLN 160 N -2.09 0.73 -0.01 4.02 -0.21 -0.42 -4.97 119.66 116.71 3cfj s GLN 160 Ca -0.08 -1.24 -0.17 0.00 0.02 0.00 0.00 55.36 53.89 3cfj s GLN 160 Cb -0.06 -0.07 0.03 0.00 1.00 0.00 0.00 33.01 33.91 3cfj s GLN 160 CO -0.02 -0.04 0.37 -2.00 -2.12 0.00 0.00 175.29 171.48 3cfj s GLU 161 N -3.63 0.75 -0.07 2.91 2.12 -1.26 0.47 118.70 120.00 3cfj s GLU 161 Ca 0.08 -0.16 -0.20 0.00 0.36 0.00 0.00 54.97 55.05 3cfj s GLU 161 Cb 0.05 0.34 0.04 0.00 0.26 0.00 0.00 34.13 34.82 3cfj s GLU 161 CO -0.06 -0.22 0.45 -1.54 -0.54 0.00 0.00 175.26 173.35 3cfj s SER 162 N -1.41 -0.40 -0.02 -1.70 1.04 -0.52 -5.00 113.70 105.69 3cfj s SER 162 Ca -0.12 0.48 0.07 0.00 0.48 0.00 0.00 55.95 56.86 3cfj s SER 162 Cb -0.04 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 3cfj s SER 162 CO 0.04 -0.42 -0.23 -0.69 0.98 0.00 0.00 173.24 172.93 3cfj s VAL 163 N -0.88 1.79 0.76 5.02 1.01 -1.26 -1.28 120.40 125.55 3cfj s VAL 163 Ca -0.09 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 3cfj s VAL 163 Cb -0.03 -1.49 0.05 0.00 0.00 0.00 0.00 36.38 34.90 3cfj s VAL 163 CO 0.05 0.51 1.08 0.42 0.00 0.00 0.00 175.10 177.16 3cfj s THR 164 N -0.47 3.45 0.78 3.92 -4.23 -0.40 -5.01 115.64 113.67 3cfj s THR 164 Ca 0.07 0.47 -0.13 0.00 -1.18 0.00 0.00 61.69 60.93 3cfj s THR 164 Cb -0.09 -3.20 0.07 0.00 1.34 0.00 0.00 72.50 70.61 3cfj s THR 164 CO -0.00 -0.61 1.15 -1.61 -0.54 0.00 0.00 174.62 173.00 3cfj s GLU 165 N -5.10 1.96 0.23 3.99 0.41 -1.26 -4.62 118.70 114.31 3cfj s GLU 165 Ca 0.60 1.51 -0.32 0.00 -0.41 0.00 0.00 54.97 56.35 3cfj s GLU 165 Cb -0.14 -1.84 -0.12 0.00 -1.78 0.00 0.00 34.13 30.24 3cfj s GLU 165 CO 0.55 -1.92 1.63 0.94 -0.49 0.00 0.00 175.26 175.96 3cfj n GLN 166 N -3.28 2.56 -2.15 1.61 7.27 -1.26 -4.79 117.38 117.34 3cfj n GLN 166 Ca 0.11 0.92 -0.41 0.00 0.07 0.00 0.00 57.00 57.69 3cfj n GLN 166 Cb 0.52 -2.71 -0.03 0.00 2.41 0.00 0.00 30.24 30.43 3cfj n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3cfj s ASP 167 N 0.82 6.82 0.12 1.69 2.15 -0.05 -4.91 116.67 123.33 3cfj s ASP 167 Ca 0.72 2.47 0.22 0.00 0.43 0.00 0.00 52.55 56.39 3cfj s ASP 167 Cb -0.55 -2.61 0.87 0.00 -0.30 0.00 0.00 42.92 40.33 3cfj s ASP 167 CO 0.40 -0.59 1.67 -1.54 -0.17 0.00 0.00 175.17 174.94 3cfj n SER 168 N 2.66 0.36 -0.11 -0.34 3.41 -1.26 -1.30 113.62 117.04 3cfj n SER 168 Ca 0.07 0.57 -0.22 0.00 -0.26 0.00 0.00 58.87 59.03 3cfj n SER 168 Cb 0.42 -0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 3cfj n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cfj n LYS 169 N -1.88 0.47 0.00 4.33 5.02 -1.26 -3.11 118.16 121.73 3cfj n LYS 169 Ca 0.04 0.21 0.12 0.00 -2.02 0.00 0.00 58.31 56.65 3cfj n LYS 169 Cb 0.26 -1.30 0.08 0.00 -0.02 0.00 0.00 35.03 34.05 3cfj n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3cfj n ASP 170 N -4.06 2.04 -1.56 4.39 5.68 -1.25 -4.98 116.55 116.80 3cfj n ASP 170 Ca -0.39 -1.51 -0.17 0.00 -0.50 0.00 0.00 54.79 52.21 3cfj n ASP 170 Cb 0.75 0.34 -0.05 0.00 -1.14 0.00 0.00 41.12 41.03 3cfj n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3cfj n SER 171 N 0.13 -5.06 -4.95 -1.12 7.64 -0.42 -4.98 113.62 104.86 3cfj n SER 171 Ca 0.11 0.26 -0.20 0.00 1.01 0.00 0.00 58.87 60.04 3cfj n SER 171 Cb 0.47 -4.10 -0.00 0.00 -1.01 0.00 0.00 64.21 59.57 3cfj n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cfj s THR 172 N -2.72 2.62 0.21 0.44 -4.23 -1.26 -4.64 115.64 106.06 3cfj s THR 172 Ca 0.00 -1.19 0.10 0.00 -1.18 0.00 0.00 61.69 59.43 3cfj s THR 172 Cb 0.00 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 3cfj s THR 172 CO 0.00 0.00 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.62 3cfj s TYR 173 N -2.48 2.49 0.11 3.99 2.02 0.36 -0.87 117.35 122.96 3cfj s TYR 173 Ca 0.51 -0.28 0.07 0.00 -0.37 0.00 0.00 57.07 57.00 3cfj s TYR 173 Cb -0.06 -1.19 -0.03 0.00 -0.40 0.00 0.00 41.96 40.28 3cfj s TYR 173 CO 0.31 0.55 -0.17 -1.12 -1.57 0.00 0.00 175.55 173.54 3cfj s SER 174 N -2.98 2.23 0.01 2.29 0.01 -1.26 -0.17 113.70 113.83 3cfj s SER 174 Ca 0.25 -0.71 0.03 0.00 1.31 0.00 0.00 55.95 56.83 3cfj s SER 174 Cb -0.08 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 3cfj s SER 174 CO 0.14 -0.03 -0.09 -0.22 0.41 0.00 0.00 173.24 173.45 3cfj s LEU 175 N -2.06 2.09 -0.07 2.44 0.20 0.54 -1.28 118.68 120.54 3cfj s LEU 175 Ca 0.06 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.63 3cfj s LEU 175 Cb -0.09 -0.41 0.01 0.00 -0.43 0.00 0.00 46.19 45.27 3cfj s LEU 175 CO 0.04 0.04 -0.15 -0.55 -0.29 0.00 0.00 176.35 175.44 3cfj s SER 176 N -0.60 2.04 -0.03 3.68 0.15 -0.41 -0.99 113.70 117.53 3cfj s SER 176 Ca 0.01 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.35 3cfj s SER 176 Cb -0.05 -0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 63.32 3cfj s SER 176 CO 0.00 0.06 -0.17 -0.55 1.20 0.00 0.00 173.24 173.78 3cfj s SER 177 N 0.58 2.10 -0.13 5.45 0.15 -0.04 -1.44 113.70 120.36 3cfj s SER 177 Ca -0.15 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.17 3cfj s SER 177 Cb -0.16 -0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 63.67 3cfj s SER 177 CO 0.05 0.17 -0.17 -0.89 1.20 0.00 0.00 173.24 173.60 3cfj s THR 178 N -0.09 2.66 -0.28 6.45 2.01 0.18 -0.51 115.64 126.06 3cfj s THR 178 Ca -0.01 -0.79 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 3cfj s THR 178 Cb -0.10 -2.10 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 3cfj s THR 178 CO 0.01 0.53 0.22 -0.22 -0.69 0.00 0.00 174.62 174.47 3cfj s LEU 179 N 0.54 4.03 -0.22 4.42 2.96 0.87 -1.31 118.68 129.96 3cfj s LEU 179 Ca -0.10 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 3cfj s LEU 179 Cb -0.16 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 3cfj s LEU 179 CO 0.04 -0.07 0.03 -0.89 -1.32 0.00 0.00 176.35 174.14 3cfj s THR 180 N 1.79 4.11 0.25 3.68 2.01 -0.33 -0.85 115.64 126.30 3cfj s THR 180 Ca 0.08 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.85 3cfj s THR 180 Cb -0.16 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 3cfj s THR 180 CO 0.11 0.39 0.07 -1.48 -0.69 0.00 0.00 174.62 173.02 3cfj s LEU 181 N 1.25 1.83 0.61 4.42 2.34 -0.69 -4.85 118.68 123.59 3cfj s LEU 181 Ca 0.04 -1.33 -0.16 0.00 0.06 0.00 0.00 54.13 52.73 3cfj s LEU 181 Cb -0.15 -0.07 -0.02 0.00 -0.56 0.00 0.00 46.19 45.39 3cfj s LEU 181 CO 0.02 -0.67 1.10 -0.94 -1.06 0.00 0.00 176.35 174.80 3cfj s SER 182 N -3.31 5.45 0.23 1.48 1.04 -1.26 -0.74 113.70 116.58 3cfj s SER 182 Ca 0.35 1.99 -0.08 0.00 0.48 0.00 0.00 55.95 58.69 3cfj s SER 182 Cb 0.07 -2.55 0.37 0.00 0.10 0.00 0.00 66.02 64.01 3cfj s SER 182 CO 0.12 -1.40 1.70 0.50 0.98 0.00 0.00 173.24 175.14 3cfj h LYS 183 N 0.43 0.27 -0.52 4.02 3.64 -1.43 -0.16 116.57 122.81 3cfj h LYS 183 Ca -0.48 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3cfj h LYS 183 Cb 1.24 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3cfj h LYS 183 CO 0.56 0.18 0.28 0.00 -2.27 0.00 0.00 179.45 178.19 3cfj h ALA 184 N 1.54 0.67 -0.45 5.00 0.00 -1.93 -1.33 119.26 122.77 3cfj h ALA 184 Ca 0.36 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 3cfj h ALA 184 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3cfj h ALA 184 CO -0.45 0.20 -0.20 -0.44 0.00 0.00 0.00 179.25 178.36 3cfj h ASP 185 N 0.70 0.96 -0.76 0.00 3.32 -1.85 -2.88 116.42 115.90 3cfj h ASP 185 Ca 0.18 -0.40 0.10 0.00 0.02 0.00 0.00 57.03 56.94 3cfj h ASP 185 Cb 0.07 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.28 3cfj h ASP 185 CO -0.03 1.14 0.39 0.22 -1.72 0.00 0.00 179.24 179.25 3cfj h TYR 186 N 0.77 0.70 0.00 4.55 3.20 -0.76 -2.62 116.97 122.82 3cfj h TYR 186 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3cfj h TYR 186 Cb 0.77 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3cfj h TYR 186 CO 0.05 0.25 0.00 0.93 -1.64 0.00 0.00 178.16 177.75 3cfj h GLU 187 N 0.65 0.00 0.00 1.82 4.39 -1.12 -3.04 114.58 117.28 3cfj h GLU 187 Ca 0.38 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 3cfj h GLU 187 Cb 0.42 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3cfj h GLU 187 CO -0.28 0.00 -0.10 0.87 -1.16 0.00 0.00 179.01 178.34 3cfj h LYS 188 N 0.00 0.00 -6.14 2.33 1.57 -1.25 -3.47 116.57 109.61 3cfj h LYS 188 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3cfj h LYS 188 Cb 0.60 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.78 3cfj h LYS 188 CO 0.00 0.10 -0.69 -1.01 -0.57 0.00 0.00 179.45 177.27 3cfj s HIS 189 N -3.28 2.46 -0.13 -1.35 3.76 -1.15 -5.08 115.29 110.52 3cfj s HIS 189 Ca 0.05 -0.34 -0.08 0.00 -0.15 0.00 0.00 55.06 54.55 3cfj s HIS 189 Cb 0.06 -1.18 -0.06 0.00 1.11 0.00 0.00 32.58 32.52 3cfj s HIS 189 CO 0.66 0.63 -0.18 1.17 -0.85 0.00 0.00 174.74 176.17 3cfj n LYS 190 N -0.77 0.30 -3.62 1.40 3.00 -1.26 -4.73 118.16 112.48 3cfj n LYS 190 Ca -0.05 0.13 -0.38 0.00 -0.00 0.00 0.00 58.31 58.01 3cfj n LYS 190 Cb 0.61 -1.01 -0.11 0.00 0.00 0.00 0.00 35.03 34.52 3cfj n LYS 190 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3cfj s VAL 191 N -2.30 5.25 -0.19 3.15 1.01 -1.26 -0.76 120.40 125.30 3cfj s VAL 191 Ca -0.19 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 3cfj s VAL 191 Cb 0.07 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.97 3cfj s VAL 191 CO 0.25 0.28 -0.14 -0.31 0.00 0.00 0.00 175.10 175.18 3cfj s TYR 192 N 1.61 2.85 -0.02 5.22 1.51 -0.46 -0.66 117.35 127.39 3cfj s TYR 192 Ca 0.07 -1.33 0.04 0.00 -1.01 0.00 0.00 57.07 54.85 3cfj s TYR 192 Cb -0.15 -1.99 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 3cfj s TYR 192 CO 0.09 -0.68 -0.14 0.00 -1.11 0.00 0.00 175.55 173.71 3cfj s ALA 193 N 1.32 1.23 -0.29 3.71 0.00 -0.20 -1.33 121.76 126.20 3cfj s ALA 193 Ca 0.04 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 3cfj s ALA 193 Cb -0.14 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.63 3cfj s ALA 193 CO -0.08 0.26 0.07 0.00 0.00 0.00 0.00 175.76 176.01 3cfj s GLU 195 N 1.51 3.45 -0.14 0.00 2.12 0.08 -1.17 118.70 124.55 3cfj s GLU 195 Ca 0.03 -0.59 -0.00 0.00 0.36 0.00 0.00 54.97 54.77 3cfj s GLU 195 Cb -0.17 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 3cfj s GLU 195 CO 0.02 -0.16 -0.13 0.08 -0.54 0.00 0.00 175.26 174.53 3cfj s VAL 196 N 1.40 2.98 -0.01 3.70 1.01 0.34 -0.48 120.40 129.33 3cfj s VAL 196 Ca 0.05 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.43 3cfj s VAL 196 Cb -0.14 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3cfj s VAL 196 CO -0.01 0.52 -0.26 0.42 0.00 0.00 0.00 175.10 175.76 3cfj s THR 197 N 0.49 2.06 -0.05 3.92 -4.23 -0.82 -1.12 115.64 115.88 3cfj s THR 197 Ca -0.09 -1.14 -0.29 0.00 -1.18 0.00 0.00 61.69 58.98 3cfj s THR 197 Cb -0.16 -1.71 0.10 0.00 1.34 0.00 0.00 72.50 72.07 3cfj s THR 197 CO 0.04 0.55 0.84 -2.28 -0.54 0.00 0.00 174.62 173.23 3cfj s HIS 198 N -0.63 -0.46 0.53 3.99 2.46 -1.26 -1.76 115.29 118.15 3cfj s HIS 198 Ca 0.10 0.63 0.21 0.00 0.47 0.00 0.00 55.06 56.47 3cfj s HIS 198 Cb -0.10 0.47 1.34 0.00 -0.13 0.00 0.00 32.58 34.17 3cfj s HIS 198 CO -0.01 -0.52 2.06 0.37 -2.47 0.00 0.00 174.74 174.17 3cfj h GLN 199 N 2.47 0.00 -0.00 2.88 4.15 -1.92 -0.28 115.11 122.41 3cfj h GLN 199 Ca -0.23 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 3cfj h GLN 199 Cb 1.19 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 3cfj h GLN 199 CO 0.34 0.00 -0.01 0.41 -1.93 0.00 0.00 178.83 177.65 3cfj n GLY 200 N -1.60 -1.04 3.34 2.39 0.00 -1.26 -4.78 105.19 102.24 3cfj n GLY 200 Ca 0.04 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3cfj n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfj s LEU 201 N -2.17 2.83 0.15 0.99 1.43 -0.12 -4.62 118.68 117.17 3cfj s LEU 201 Ca 0.42 -0.35 0.25 0.00 -1.03 0.00 0.00 54.13 53.41 3cfj s LEU 201 Cb 0.21 -1.68 0.93 0.00 0.03 0.00 0.00 46.19 45.68 3cfj s LEU 201 CO 0.40 0.07 1.77 -1.54 0.23 0.00 0.00 176.35 177.28 3cfj n SER 202 N 4.17 0.51 -3.50 2.29 3.41 -1.26 -4.69 113.62 114.55 3cfj n SER 202 Ca -0.18 0.57 -0.12 0.00 -0.26 0.00 0.00 58.87 58.88 3cfj n SER 202 Cb 0.52 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 3cfj n SER 202 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3cfj s SER 203 N -3.96 -0.44 0.32 4.04 1.04 -1.26 -5.15 113.70 108.28 3cfj s SER 203 Ca 0.10 -0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.14 3cfj s SER 203 Cb 0.13 0.55 -0.13 0.00 0.10 0.00 0.00 66.02 66.67 3cfj s SER 203 CO 0.50 -0.91 1.27 -2.65 0.98 0.00 0.00 173.24 172.43 3cfj n PRO 204 N -0.28 2.01 -3.61 4.02 -0.02 -1.26 -4.97 135.00 130.88 3cfj n PRO 204 Ca -0.17 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.66 3cfj n PRO 204 Cb 0.64 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.77 3cfj n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3cfj s VAL 205 N -0.90 5.34 -0.18 -1.45 1.01 -0.28 -4.91 120.40 119.03 3cfj s VAL 205 Ca 0.58 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 3cfj s VAL 205 Cb -0.60 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 3cfj s VAL 205 CO 0.60 0.37 -0.12 -0.89 0.00 0.00 0.00 175.10 175.06 3cfj s THR 206 N 0.72 2.85 -0.11 3.92 2.01 -1.26 -0.50 115.64 123.27 3cfj s THR 206 Ca 0.11 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 3cfj s THR 206 Cb -0.13 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 3cfj s THR 206 CO 0.03 0.49 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.87 3cfj s LYS 207 N 1.11 3.25 0.24 4.92 -0.14 -0.31 -4.96 119.74 123.84 3cfj s LYS 207 Ca 0.00 -0.49 -0.08 0.00 -1.36 0.00 0.00 55.97 54.05 3cfj s LYS 207 Cb -0.14 -2.81 -0.02 0.00 -1.68 0.00 0.00 37.83 33.18 3cfj s LYS 207 CO -0.03 0.48 0.36 -1.54 -0.76 0.00 0.00 175.35 173.86 3cfj s SER 208 N -0.30 0.08 0.10 2.83 1.04 -1.26 0.14 113.70 116.32 3cfj s SER 208 Ca 0.05 -1.13 -0.16 0.00 0.48 0.00 0.00 55.95 55.19 3cfj s SER 208 Cb -0.12 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.55 3cfj s SER 208 CO 0.02 -1.05 0.38 0.72 0.98 0.00 0.00 173.24 174.29 3cfj s PHE 209 N -3.99 -0.18 -0.20 5.02 -0.12 -0.44 -5.00 117.98 113.06 3cfj s PHE 209 Ca 0.29 -0.07 -0.07 0.00 -0.05 0.00 0.00 56.93 57.03 3cfj s PHE 209 Cb 0.02 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 3cfj s PHE 209 CO 0.11 -0.65 0.06 -0.80 -0.05 0.00 0.00 175.22 173.90 3cfj s ASN 210 N -2.58 5.43 -0.15 1.98 0.01 -1.26 -1.36 114.94 117.02 3cfj s ASN 210 Ca 0.01 -0.03 -0.38 0.00 -0.71 0.00 0.00 52.86 51.75 3cfj s ASN 210 Cb 0.01 -1.94 -0.14 0.00 0.41 0.00 0.00 41.25 39.58 3cfj s ASN 210 CO -0.09 0.10 1.72 -1.14 -1.51 0.00 0.00 177.10 176.18 3cfj n ARG 211 N 4.03 1.52 -2.43 -0.60 0.63 0.06 -1.45 116.66 118.42 3cfj n ARG 211 Ca -0.16 0.56 -0.09 0.00 -0.92 0.00 0.00 57.85 57.24 3cfj n ARG 211 Cb 0.52 -2.29 0.01 0.00 0.45 0.00 0.00 32.46 31.15 3cfj n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3cfj n GLY 212 N 4.00 0.14 0.00 5.14 0.00 -1.26 -4.99 105.19 108.22 3cfj n GLY 212 Ca 0.24 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3cfj n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50