#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfk s LEU 2 N 0.00 4.20 -0.24 -4.62 2.96 -1.26 -4.97 118.68 114.75 3cfk s LEU 2 Ca 0.00 1.72 -0.05 0.00 -0.22 0.00 0.00 54.13 55.57 3cfk s LEU 2 Cb 0.00 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 3cfk s LEU 2 CO 0.00 -0.73 0.01 -0.69 -1.32 0.00 0.00 176.35 173.62 3cfk s VAL 3 N 3.27 3.73 -0.19 1.68 1.01 -1.26 -5.00 120.40 123.64 3cfk s VAL 3 Ca 0.55 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 3cfk s VAL 3 Cb -0.22 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 3cfk s VAL 3 CO 0.16 0.34 0.22 -0.69 0.00 0.00 0.00 175.10 175.13 3cfk s VAL 4 N 1.52 5.34 -0.04 2.92 1.01 -1.26 -2.39 120.40 127.51 3cfk s VAL 4 Ca 0.05 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.47 3cfk s VAL 4 Cb -0.15 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3cfk s VAL 4 CO -0.00 0.38 -0.23 -0.89 0.00 0.00 0.00 175.10 174.37 3cfk s THR 5 N 0.62 1.82 0.16 3.92 2.01 -0.14 -3.78 115.64 120.26 3cfk s THR 5 Ca 0.12 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.21 3cfk s THR 5 Cb -0.13 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 3cfk s THR 5 CO 0.02 0.51 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.26 3cfk s GLN 6 N -0.28 1.12 0.43 4.92 -0.21 -1.26 -1.06 119.66 123.32 3cfk s GLN 6 Ca 0.02 -1.49 -0.26 0.00 0.02 0.00 0.00 55.36 53.65 3cfk s GLN 6 Cb -0.11 -0.72 -0.09 0.00 1.00 0.00 0.00 33.01 33.09 3cfk s GLN 6 CO 0.01 0.09 1.45 0.39 -2.12 0.00 0.00 175.29 175.12 3cfk n GLU 7 N -0.24 2.38 -0.01 2.91 4.71 -1.26 -4.87 120.64 124.26 3cfk n GLU 7 Ca -0.10 0.84 -0.12 0.00 -0.01 0.00 0.00 57.16 57.78 3cfk n GLU 7 Cb 0.61 -2.65 -0.07 0.00 -1.01 0.00 0.00 31.44 28.32 3cfk n GLU 7 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 3cfk h SER 8 N 2.48 0.10 -4.34 1.62 0.02 -1.95 -3.32 113.55 108.17 3cfk h SER 8 Ca -0.51 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.09 3cfk h SER 8 Cb 1.26 -0.03 -0.22 0.00 0.14 0.00 0.00 62.40 63.55 3cfk h SER 8 CO 0.62 0.31 -0.24 0.00 -1.14 0.00 0.00 176.83 176.38 3cfk s ALA 9 N -5.27 -0.94 0.04 3.77 0.00 -1.26 -1.01 121.76 117.08 3cfk s ALA 9 Ca -0.14 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.67 3cfk s ALA 9 Cb 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3cfk s ALA 9 CO 0.68 -0.22 -0.08 -0.51 0.00 0.00 0.00 175.76 175.63 3cfk s LEU 11 N -0.42 2.23 -0.03 0.00 1.43 0.03 -4.94 118.68 116.98 3cfk s LEU 11 Ca -0.05 -0.51 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 3cfk s LEU 11 Cb -0.03 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.96 3cfk s LEU 11 CO 0.02 -0.16 -0.26 -0.89 0.23 0.00 0.00 176.35 175.29 3cfk s THR 12 N -1.23 2.07 0.03 5.49 2.01 -1.26 -0.09 115.64 122.65 3cfk s THR 12 Ca -0.08 -1.10 -0.10 0.00 0.31 0.00 0.00 61.69 60.72 3cfk s THR 12 Cb -0.09 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.71 3cfk s THR 12 CO 0.00 0.58 0.22 0.28 -0.69 0.00 0.00 174.62 175.01 3cfk s THR 13 N -0.56 0.09 0.41 -0.82 -1.32 -0.65 -4.97 115.64 107.82 3cfk s THR 13 Ca 0.08 -0.77 -0.04 0.00 -1.21 0.00 0.00 61.69 59.75 3cfk s THR 13 Cb -0.10 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.05 3cfk s THR 13 CO -0.00 -0.43 0.69 -0.44 -2.21 0.00 0.00 174.62 172.23 3cfk s SER 14 N -1.85 6.33 0.39 8.08 0.01 -1.26 -0.85 113.70 124.54 3cfk s SER 14 Ca -0.08 0.79 -0.28 0.00 1.31 0.00 0.00 55.95 57.70 3cfk s SER 14 Cb -0.03 -2.18 -0.10 0.00 0.21 0.00 0.00 66.02 63.91 3cfk s SER 14 CO -0.02 -0.42 1.46 -2.84 0.41 0.00 0.00 173.24 171.83 3cfk s PRO 15 N -4.33 4.05 0.00 12.44 0.02 -1.26 -2.05 135.00 143.86 3cfk s PRO 15 Ca 0.45 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.99 3cfk s PRO 15 Cb -0.10 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.50 3cfk s PRO 15 CO 0.39 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.90 3cfk n GLY 16 N 0.51 2.77 3.88 0.52 0.00 0.31 -4.89 105.19 108.28 3cfk n GLY 16 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3cfk n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cfk s GLU 17 N -0.24 3.50 -0.13 1.61 2.02 -0.87 -4.08 118.70 120.51 3cfk s GLU 17 Ca 0.00 0.66 -0.10 0.00 0.02 0.00 0.00 54.97 55.55 3cfk s GLU 17 Cb 0.00 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 3cfk s GLU 17 CO 0.00 -0.60 0.21 0.99 0.02 0.00 0.00 175.26 175.89 3cfk s THR 18 N -3.16 5.37 0.02 3.63 2.01 -1.26 -1.26 115.64 120.98 3cfk s THR 18 Ca 0.55 0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.96 3cfk s THR 18 Cb -0.11 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 3cfk s THR 18 CO 0.53 0.53 -0.10 0.54 -0.69 0.00 0.00 174.62 175.42 3cfk s VAL 19 N -0.42 0.78 -0.14 3.82 0.11 -0.87 -4.99 120.40 118.69 3cfk s VAL 19 Ca 0.15 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 3cfk s VAL 19 Cb -0.13 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 3cfk s VAL 19 CO 0.04 0.02 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.81 3cfk s THR 20 N -0.63 1.44 -0.09 5.04 2.01 -1.26 -0.93 115.64 121.22 3cfk s THR 20 Ca 0.00 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 3cfk s THR 20 Cb -0.06 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 3cfk s THR 20 CO 0.00 0.43 0.27 -0.76 -0.69 0.00 0.00 174.62 173.87 3cfk s LEU 21 N 1.54 4.38 0.39 4.42 1.02 0.69 -4.95 118.68 126.17 3cfk s LEU 21 Ca 0.05 0.65 0.08 0.00 0.02 0.00 0.00 54.13 54.93 3cfk s LEU 21 Cb -0.13 -2.32 -0.06 0.00 0.02 0.00 0.00 46.19 43.70 3cfk s LEU 21 CO -0.10 0.31 0.10 0.42 0.02 0.00 0.00 176.35 177.09 3cfk s THR 22 N -0.68 2.36 -0.21 5.49 -4.23 -1.26 -0.64 115.64 116.47 3cfk s THR 22 Ca 0.18 -1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 58.81 3cfk s THR 22 Cb -0.14 -2.94 0.11 0.00 1.34 0.00 0.00 72.50 70.87 3cfk s THR 22 CO 0.07 -0.06 0.34 0.00 -0.54 0.00 0.00 174.62 174.43 3cfk s ARG 24 N 2.50 1.93 0.09 0.00 1.70 -0.22 -1.61 118.95 123.34 3cfk s ARG 24 Ca 0.07 -1.90 0.08 0.00 -0.47 0.00 0.00 55.73 53.50 3cfk s ARG 24 Cb -0.14 -1.77 -0.03 0.00 -0.57 0.00 0.00 34.95 32.43 3cfk s ARG 24 CO -0.13 0.10 -0.20 0.45 -1.08 0.00 0.00 175.30 174.44 3cfk s SER 25 N -3.67 2.41 0.00 -2.89 0.15 -1.26 -0.97 113.70 107.47 3cfk s SER 25 Ca 0.34 -0.66 0.26 0.00 0.70 0.00 0.00 55.95 56.59 3cfk s SER 25 Cb 0.03 -0.13 0.73 0.00 -1.71 0.00 0.00 66.02 64.94 3cfk s SER 25 CO 0.18 0.05 1.55 -1.54 1.20 0.00 0.00 173.24 174.68 3cfk n SER 26 N 1.18 0.86 0.13 5.45 3.41 -1.00 -3.64 113.62 120.01 3cfk n SER 26 Ca -0.20 -0.71 0.13 0.00 -0.26 0.00 0.00 58.87 57.83 3cfk n SER 26 Cb 0.54 0.14 0.28 0.00 -0.26 0.00 0.00 64.21 64.91 3cfk n SER 26 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3cfk h SER 27 N 0.88 0.00 0.00 4.04 0.02 -1.93 -3.48 113.55 113.07 3cfk h SER 27 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3cfk h SER 27 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3cfk h SER 27 CO 0.00 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 3cfk n GLY 27 N 1.25 0.73 3.70 -3.77 0.00 -1.24 -5.09 105.19 100.77 3cfk n GLY 27 Ca 0.04 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 3cfk n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfk n ALA 27 N -1.00 1.53 -2.41 4.61 0.00 -1.26 -4.29 120.51 117.69 3cfk n ALA 27 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 3cfk n ALA 27 Cb 0.00 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.11 3cfk n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cfk s VAL 27 N -0.41 4.17 0.35 0.00 1.01 0.65 -4.99 120.40 121.18 3cfk s VAL 27 Ca 0.63 1.49 0.09 0.00 0.00 0.00 0.00 61.98 64.19 3cfk s VAL 27 Cb -0.58 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 3cfk s VAL 27 CO 0.54 -0.03 -0.08 0.28 0.00 0.00 0.00 175.10 175.81 3cfk s THR 28 N 2.57 2.27 0.42 3.92 -1.32 -1.26 -4.67 115.64 117.57 3cfk s THR 28 Ca 0.57 -2.17 0.25 0.00 -1.21 0.00 0.00 61.69 59.13 3cfk s THR 28 Cb -0.25 -2.69 0.44 0.00 -1.51 0.00 0.00 72.50 68.49 3cfk s THR 28 CO 0.21 -0.19 1.68 0.74 -2.21 0.00 0.00 174.62 174.85 3cfk h THR 29 N 1.98 0.27 0.00 5.08 2.02 -1.99 0.11 112.91 120.38 3cfk h THR 29 Ca -0.42 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3cfk h THR 29 Cb 1.25 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3cfk h THR 29 CO 0.71 0.04 0.00 -1.20 0.37 0.00 0.00 175.52 175.43 3cfk n SER 30 N -4.70 0.28 -0.02 4.18 7.64 -1.26 -1.61 113.62 118.12 3cfk n SER 30 Ca 0.33 0.59 0.13 0.00 1.01 0.00 0.00 58.87 60.93 3cfk n SER 30 Cb 1.21 -0.64 0.46 0.00 -1.01 0.00 0.00 64.21 64.22 3cfk n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cfk n ASN 31 N -1.83 0.31 -4.04 6.43 5.03 0.37 -4.84 115.26 116.69 3cfk n ASN 31 Ca 0.01 -0.02 -0.41 0.00 0.87 0.00 0.00 54.58 55.03 3cfk n ASN 31 Cb 0.13 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 3cfk n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3cfk n TYR 32 N -1.39 -1.47 -1.67 3.10 4.01 -0.63 -0.60 117.16 118.50 3cfk n TYR 32 Ca 0.08 0.25 -0.45 0.00 -0.16 0.00 0.00 57.90 57.62 3cfk n TYR 32 Cb 0.33 -2.95 -0.03 0.00 -0.31 0.00 0.00 39.34 36.38 3cfk n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cfk n ALA 33 N -4.82 1.19 -2.53 -0.72 0.00 -1.26 -4.32 120.51 108.05 3cfk n ALA 33 Ca -0.15 0.42 -0.24 0.00 0.00 0.00 0.00 53.44 53.46 3cfk n ALA 33 Cb 0.59 -2.29 -0.13 0.00 0.00 0.00 0.00 19.45 17.62 3cfk n ALA 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cfk s THR 34 N 0.10 1.60 -0.06 0.00 2.01 -0.70 -1.36 115.64 117.23 3cfk s THR 34 Ca 0.70 -1.29 0.05 0.00 0.31 0.00 0.00 61.69 61.45 3cfk s THR 34 Cb -0.65 -1.42 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 3cfk s THR 34 CO 0.48 0.08 -0.21 0.26 -0.69 0.00 0.00 174.62 174.53 3cfk s TRP 35 N -0.94 2.17 -0.04 4.92 0.52 -0.44 -0.86 118.94 124.28 3cfk s TRP 35 Ca 0.06 -0.71 0.06 0.00 0.02 0.00 0.00 56.10 55.53 3cfk s TRP 35 Cb -0.09 -1.45 -0.02 0.00 -1.15 0.00 0.00 33.47 30.76 3cfk s TRP 35 CO 0.03 -0.25 -0.22 0.08 0.02 0.00 0.00 176.95 176.61 3cfk s VAL 36 N 0.07 2.41 -0.15 4.03 1.01 0.59 -0.30 120.40 128.06 3cfk s VAL 36 Ca -0.08 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 3cfk s VAL 36 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3cfk s VAL 36 CO 0.04 0.58 0.06 -1.58 0.00 0.00 0.00 175.10 174.20 3cfk s GLN 37 N -0.53 3.68 -0.17 2.72 0.74 0.89 -0.94 119.66 126.06 3cfk s GLN 37 Ca 0.07 -0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.14 3cfk s GLN 37 Cb -0.11 -3.11 -0.00 0.00 1.10 0.00 0.00 33.01 30.88 3cfk s GLN 37 CO 0.01 0.44 -0.13 -2.00 -0.55 0.00 0.00 175.29 173.06 3cfk s GLU 38 N -0.10 3.27 0.27 1.67 2.12 0.69 -0.64 118.70 125.98 3cfk s GLU 38 Ca 0.07 -0.71 0.10 0.00 0.36 0.00 0.00 54.97 54.78 3cfk s GLU 38 Cb -0.12 -2.72 -0.05 0.00 0.26 0.00 0.00 34.13 31.51 3cfk s GLU 38 CO 0.01 -0.02 -0.05 0.15 -0.54 0.00 0.00 175.26 174.81 3cfk s LYS 39 N 0.94 2.13 0.45 4.30 1.02 0.15 -1.44 119.74 127.29 3cfk s LYS 39 Ca -0.02 -1.52 -0.20 0.00 0.02 0.00 0.00 55.97 54.24 3cfk s LYS 39 Cb -0.15 -2.05 -0.14 0.00 -0.52 0.00 0.00 37.83 34.97 3cfk s LYS 39 CO -0.01 0.34 0.23 -2.30 -0.92 0.00 0.00 175.35 172.69 3cfk n PRO 40 N -0.83 0.23 -1.35 -1.68 -0.02 -1.26 -1.30 135.00 128.79 3cfk n PRO 40 Ca -0.06 0.08 -0.06 0.00 -2.02 0.00 0.00 63.50 61.44 3cfk n PRO 40 Cb 0.59 -1.24 -0.02 0.00 -0.02 0.00 0.00 33.50 32.81 3cfk n PRO 40 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cfk n ASP 41 N 1.82 -3.54 -3.63 2.55 8.00 -1.26 -4.04 116.55 116.44 3cfk n ASP 41 Ca 0.11 0.13 -0.25 0.00 0.71 0.00 0.00 54.79 55.49 3cfk n ASP 41 Cb 0.42 -1.83 0.04 0.00 -0.02 0.00 0.00 41.12 39.74 3cfk n ASP 41 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3cfk n HIS 42 N -3.02 -1.98 -3.75 1.24 8.25 -0.94 -4.96 115.22 110.05 3cfk n HIS 42 Ca -0.07 0.68 -0.37 0.00 -0.26 0.00 0.00 57.72 57.71 3cfk n HIS 42 Cb 0.27 -3.92 -0.13 0.00 1.12 0.00 0.00 29.99 27.33 3cfk n HIS 42 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3cfk s LEU 43 N -6.40 3.56 0.02 2.41 1.43 -0.42 -4.94 118.68 114.35 3cfk s LEU 43 Ca 0.27 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3cfk s LEU 43 Cb -0.08 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3cfk s LEU 43 CO 0.82 -0.08 0.04 -0.36 0.23 0.00 0.00 176.35 177.00 3cfk s PHE 44 N 1.58 3.14 -0.07 0.29 0.08 -1.26 -0.67 117.98 121.07 3cfk s PHE 44 Ca 0.05 0.10 -0.03 0.00 0.12 0.00 0.00 56.93 57.17 3cfk s PHE 44 Cb -0.16 -1.66 0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3cfk s PHE 44 CO 0.03 0.50 0.12 0.99 -0.10 0.00 0.00 175.22 176.76 3cfk s THR 45 N -1.20 -0.20 -0.02 0.64 2.01 0.19 -4.95 115.64 112.11 3cfk s THR 45 Ca 0.23 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 3cfk s THR 45 Cb -0.12 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 3cfk s THR 45 CO 0.14 0.14 1.45 -0.83 -0.69 0.00 0.00 174.62 174.83 3cfk s GLY 46 N 2.25 1.76 -0.22 4.40 0.00 -1.26 -0.08 107.32 114.17 3cfk s GLY 46 Ca 0.04 0.88 -0.12 0.00 0.00 0.00 0.00 44.72 45.52 3cfk s GLY 46 CO -0.05 2.63 -0.30 1.04 0.00 0.00 0.00 173.10 176.42 3cfk n LEU 47 N 5.79 1.63 -4.04 0.66 4.77 0.59 -4.76 117.00 121.63 3cfk n LEU 47 Ca 0.14 0.28 -0.21 0.00 -0.03 0.00 0.00 56.01 56.19 3cfk n LEU 47 Cb 0.43 -0.67 -0.15 0.00 -2.33 0.00 0.00 43.42 40.70 3cfk n LEU 47 CO 0.59 0.41 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.98 3cfk s ILE 48 N -2.45 0.89 0.28 -0.08 -1.09 -1.14 -1.60 121.20 116.01 3cfk s ILE 48 Ca -0.31 -0.45 0.08 0.00 -2.23 0.00 0.00 60.65 57.73 3cfk s ILE 48 Cb 0.12 -0.77 -0.06 0.00 -1.58 0.00 0.00 42.46 40.17 3cfk s ILE 48 CO 0.40 0.26 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.45 3cfk s GLY 49 N -0.06 1.81 -1.54 6.18 0.00 0.21 -1.32 107.32 112.60 3cfk s GLY 49 Ca 0.01 -1.88 -0.12 0.00 0.00 0.00 0.00 44.72 42.73 3cfk s GLY 49 CO 0.00 -1.86 0.81 0.61 0.00 0.00 0.00 173.10 172.66 3cfk n GLY 50 N -0.58 -0.41 5.00 0.20 0.00 -1.11 -1.22 105.19 107.07 3cfk n GLY 50 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3cfk n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cfk n THR 51 N -4.51 0.00 -1.97 2.61 -1.04 -0.46 -4.05 114.28 104.86 3cfk n THR 51 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3cfk n THR 51 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 3cfk n THR 51 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3cfk n ASN 52 N 2.05 0.00 -4.54 8.00 6.94 -1.19 -3.19 115.26 123.32 3cfk n ASN 52 Ca 0.00 -1.96 -0.40 0.00 -0.02 0.00 0.00 54.58 52.20 3cfk n ASN 52 Cb 0.00 -0.19 -0.10 0.00 -2.36 0.00 0.00 39.78 37.12 3cfk n ASN 52 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3cfk s LYS 53 N 0.00 3.60 0.16 -3.83 3.01 -0.36 -4.68 119.74 117.64 3cfk s LYS 53 Ca 0.00 -0.55 -0.30 0.00 -1.01 0.00 0.00 55.97 54.11 3cfk s LYS 53 Cb 0.00 -3.78 -0.07 0.00 -1.01 0.00 0.00 37.83 32.97 3cfk s LYS 53 CO 0.00 -0.40 1.04 0.50 0.51 0.00 0.00 175.35 177.00 3cfk s ARG 54 N 1.77 4.65 0.48 1.68 3.52 -1.26 -0.62 118.95 129.17 3cfk s ARG 54 Ca 0.07 1.62 -0.20 0.00 -0.13 0.00 0.00 55.73 57.09 3cfk s ARG 54 Cb -0.17 -3.31 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 3cfk s ARG 54 CO 0.11 0.15 1.01 0.00 -0.81 0.00 0.00 175.30 175.76 3cfk s ALA 55 N -0.23 2.91 0.21 6.12 0.00 -0.63 -4.91 121.76 125.24 3cfk s ALA 55 Ca 0.48 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 3cfk s ALA 55 Cb -0.27 -3.22 -0.15 0.00 0.00 0.00 0.00 23.12 19.48 3cfk s ALA 55 CO 0.33 -0.23 1.06 -2.30 0.00 0.00 0.00 175.76 174.61 3cfk n PRO 56 N -1.00 1.12 0.00 0.00 -0.02 -1.26 -1.65 135.00 132.19 3cfk n PRO 56 Ca 0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3cfk n PRO 56 Cb 0.53 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3cfk n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfk n GLY 57 N 1.73 2.72 3.72 -1.23 0.00 -1.26 -5.01 105.19 105.87 3cfk n GLY 57 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3cfk n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfk s VAL 58 N -2.30 4.69 0.41 1.61 1.01 -0.66 -4.99 120.40 120.16 3cfk s VAL 58 Ca 0.00 2.00 -0.26 0.00 0.00 0.00 0.00 61.98 63.72 3cfk s VAL 58 Cb 0.00 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 3cfk s VAL 58 CO 0.00 0.26 1.25 -2.65 0.00 0.00 0.00 175.10 173.96 3cfk n PRO 59 N 3.28 1.91 0.10 2.72 -0.02 -1.26 -4.88 135.00 136.84 3cfk n PRO 59 Ca 0.03 0.68 0.05 0.00 -2.02 0.00 0.00 63.50 62.24 3cfk n PRO 59 Cb 0.50 -2.34 0.48 0.00 -0.02 0.00 0.00 33.50 32.12 3cfk n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfk h ALA 60 N 2.12 1.75 -1.67 3.55 0.00 -1.99 -1.94 119.26 121.08 3cfk h ALA 60 Ca -0.47 -0.05 0.51 0.00 0.00 0.00 0.00 54.91 54.89 3cfk h ALA 60 Cb 1.30 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 3cfk h ALA 60 CO 0.60 0.21 1.17 -2.13 0.00 0.00 0.00 179.25 179.10 3cfk n ARG 61 N -4.46 -0.01 -3.56 0.00 0.63 -1.26 -4.45 116.66 103.55 3cfk n ARG 61 Ca 0.01 1.06 -0.38 0.00 -0.92 0.00 0.00 57.85 57.62 3cfk n ARG 61 Cb 0.11 -2.33 -0.06 0.00 0.45 0.00 0.00 32.46 30.62 3cfk n ARG 61 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3cfk s PHE 62 N -4.86 3.64 0.09 -0.14 0.08 -0.73 -0.91 117.98 115.16 3cfk s PHE 62 Ca -0.05 0.83 -0.14 0.00 0.12 0.00 0.00 56.93 57.69 3cfk s PHE 62 Cb 0.26 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.47 3cfk s PHE 62 CO 0.81 0.54 0.33 -1.54 -0.10 0.00 0.00 175.22 175.26 3cfk s SER 63 N -0.63 -0.12 0.10 1.36 1.04 -0.54 -4.96 113.70 109.96 3cfk s SER 63 Ca 0.21 -0.36 0.09 0.00 0.48 0.00 0.00 55.95 56.37 3cfk s SER 63 Cb -0.15 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 3cfk s SER 63 CO 0.10 -0.76 -0.22 -0.83 0.98 0.00 0.00 173.24 172.50 3cfk s GLY 64 N -2.62 1.31 0.22 7.32 0.00 -1.26 -0.19 107.32 112.11 3cfk s GLY 64 Ca 0.01 -1.28 -0.10 0.00 0.00 0.00 0.00 44.72 43.35 3cfk s GLY 64 CO -0.09 -1.28 0.53 -1.14 0.00 0.00 0.00 173.10 171.12 3cfk n SER 65 N 1.09 -1.39 -4.60 1.64 3.41 -0.61 -4.23 113.62 108.94 3cfk n SER 65 Ca -0.19 -1.92 -0.34 0.00 -0.26 0.00 0.00 58.87 56.16 3cfk n SER 65 Cb 0.53 2.30 -0.11 0.00 -0.26 0.00 0.00 64.21 66.67 3cfk n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3cfk s LEU 66 N 0.00 3.41 -0.22 1.04 1.43 -1.26 -0.49 118.68 122.60 3cfk s LEU 66 Ca 0.11 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3cfk s LEU 66 Cb -0.03 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.44 3cfk s LEU 66 CO 0.07 0.29 -0.13 -0.63 0.23 0.00 0.00 176.35 176.18 3cfk s ILE 67 N -0.37 1.94 0.00 -0.59 1.01 -0.24 -4.94 121.20 118.02 3cfk s ILE 67 Ca 0.07 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.49 3cfk s ILE 67 Cb -0.12 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.39 3cfk s ILE 67 CO 0.02 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3cfk n GLY 68 N 4.57 2.55 0.26 6.18 0.00 -1.26 -0.39 105.19 117.10 3cfk n GLY 68 Ca -0.16 0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3cfk n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cfk h ASP 69 N 0.00 0.00 -2.15 1.61 3.32 -1.97 -3.46 116.42 113.77 3cfk h ASP 69 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 3cfk h ASP 69 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 3cfk h ASP 69 CO 0.00 0.12 -0.61 -0.13 -1.72 0.00 0.00 179.24 176.90 3cfk s ARG 70 N -4.29 2.40 0.29 3.56 0.52 0.47 -0.25 118.95 121.65 3cfk s ARG 70 Ca -0.03 -1.38 -0.12 0.00 -0.52 0.00 0.00 55.73 53.67 3cfk s ARG 70 Cb 0.14 -2.22 -0.08 0.00 0.52 0.00 0.00 34.95 33.30 3cfk s ARG 70 CO 0.59 0.33 0.66 0.00 0.02 0.00 0.00 175.30 176.91 3cfk s ALA 71 N -2.31 3.42 -0.01 2.13 0.00 -0.63 -1.08 121.76 123.28 3cfk s ALA 71 Ca 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.19 3cfk s ALA 71 Cb -0.06 -2.62 -0.00 0.00 0.00 0.00 0.00 23.12 20.44 3cfk s ALA 71 CO 0.21 0.39 -0.03 0.00 0.00 0.00 0.00 175.76 176.33 3cfk s ALA 72 N -1.94 0.30 -0.20 0.00 0.00 0.36 -0.97 121.76 119.31 3cfk s ALA 72 Ca 0.51 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 3cfk s ALA 72 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 3cfk s ALA 72 CO 0.20 0.06 -0.03 -1.17 0.00 0.00 0.00 175.76 174.82 3cfk s LEU 73 N 0.01 3.05 -0.12 0.00 2.96 0.19 -1.58 118.68 123.20 3cfk s LEU 73 Ca 0.00 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 3cfk s LEU 73 Cb -0.02 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3cfk s LEU 73 CO -0.00 0.03 0.02 -0.89 -1.32 0.00 0.00 176.35 174.19 3cfk s THR 74 N 1.18 4.45 -0.26 3.68 2.01 0.74 -0.23 115.64 127.22 3cfk s THR 74 Ca 0.02 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 61.81 3cfk s THR 74 Cb -0.14 -2.92 0.02 0.00 0.01 0.00 0.00 72.50 69.46 3cfk s THR 74 CO 0.00 0.56 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.84 3cfk s ILE 75 N -0.45 3.20 -0.51 1.82 1.01 -0.10 -1.46 121.20 124.70 3cfk s ILE 75 Ca 0.09 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 3cfk s ILE 75 Cb -0.12 -2.62 0.09 0.00 0.01 0.00 0.00 42.46 39.83 3cfk s ILE 75 CO 0.02 0.18 0.49 -0.89 0.00 0.00 0.00 174.94 174.74 3cfk s THR 76 N 1.38 5.15 0.00 2.92 2.01 -0.08 -2.06 115.64 124.96 3cfk s THR 76 Ca 0.01 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 60.88 3cfk s THR 76 Cb -0.17 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.09 3cfk s THR 76 CO -0.03 -0.75 0.00 0.61 -0.69 0.00 0.00 174.62 173.76 3cfk n GLY 77 N 5.22 0.91 3.63 4.40 0.00 -1.04 -4.74 105.19 113.58 3cfk n GLY 77 Ca -0.12 -0.56 -0.47 0.00 0.00 0.00 0.00 46.02 44.87 3cfk n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfk n ALA 78 N -0.72 0.34 -2.76 4.61 0.00 -0.39 -4.41 120.51 117.18 3cfk n ALA 78 Ca 0.00 0.44 -0.24 0.00 0.00 0.00 0.00 53.44 53.65 3cfk n ALA 78 Cb 0.24 -2.19 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 3cfk n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3cfk s GLN 79 N -0.17 2.71 0.45 0.00 -0.21 -1.26 -0.53 119.66 120.66 3cfk s GLN 79 Ca 0.72 -1.11 0.14 0.00 0.02 0.00 0.00 55.36 55.14 3cfk s GLN 79 Cb -0.74 -2.46 1.07 0.00 1.00 0.00 0.00 33.01 31.87 3cfk s GLN 79 CO 0.49 0.42 2.01 1.79 -2.12 0.00 0.00 175.29 177.87 3cfk h THR 80 N 1.81 0.92 0.00 -0.19 1.35 -1.95 0.67 112.91 115.52 3cfk h THR 80 Ca -0.47 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3cfk h THR 80 Cb 1.23 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3cfk h THR 80 CO 0.61 0.06 0.00 -1.84 -0.25 0.00 0.00 175.52 174.10 3cfk n GLU 81 N -4.47 0.13 -0.00 4.72 0.00 -1.25 -2.63 120.64 117.15 3cfk n GLU 81 Ca 0.07 0.19 0.15 0.00 0.00 0.00 0.00 57.16 57.57 3cfk n GLU 81 Cb 0.32 -1.50 0.85 0.00 0.00 0.00 0.00 31.44 31.12 3cfk n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3cfk n ASP 82 N -1.36 0.21 -4.65 -1.84 8.00 0.23 -4.82 116.55 112.31 3cfk n ASP 82 Ca 0.06 -1.11 -0.42 0.00 0.71 0.00 0.00 54.79 54.03 3cfk n ASP 82 Cb 0.14 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 3cfk n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3cfk s GLU 83 N -2.00 4.01 -0.04 -1.24 2.02 -1.08 -4.87 118.70 115.52 3cfk s GLU 83 Ca 0.45 2.38 -0.30 0.00 0.02 0.00 0.00 54.97 57.51 3cfk s GLU 83 Cb 0.21 -4.13 0.12 0.00 0.10 0.00 0.00 34.13 30.42 3cfk s GLU 83 CO 0.35 -1.08 1.33 0.00 0.02 0.00 0.00 175.26 175.88 3cfk s ALA 84 N 4.84 -2.39 -0.17 5.21 0.00 -1.22 -4.89 121.76 123.14 3cfk s ALA 84 Ca 0.85 0.55 -0.07 0.00 0.00 0.00 0.00 51.96 53.29 3cfk s ALA 84 Cb -0.38 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3cfk s ALA 84 CO 0.37 -1.09 0.07 0.42 0.00 0.00 0.00 175.76 175.53 3cfk s ILE 85 N -2.20 4.83 -0.18 0.00 1.01 -0.52 -1.02 121.20 123.11 3cfk s ILE 85 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 3cfk s ILE 85 Cb 0.04 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 3cfk s ILE 85 CO -0.04 0.49 -0.08 -0.31 0.00 0.00 0.00 174.94 175.00 3cfk s TYR 86 N 0.15 2.91 -0.09 3.97 1.51 -0.59 -0.22 117.35 124.98 3cfk s TYR 86 Ca 0.05 -0.75 -0.01 0.00 -1.01 0.00 0.00 57.07 55.35 3cfk s TYR 86 Cb -0.12 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 3cfk s TYR 86 CO 0.00 -0.35 -0.04 -0.06 -1.11 0.00 0.00 175.55 173.99 3cfk s PHE 87 N 0.90 3.01 0.15 2.71 0.08 -0.11 -1.55 117.98 123.17 3cfk s PHE 87 Ca -0.02 -0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.06 3cfk s PHE 87 Cb -0.15 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.47 3cfk s PHE 87 CO 0.01 0.27 0.16 0.00 -0.10 0.00 0.00 175.22 175.56 3cfk s ALA 89 N -1.70 0.31 -0.05 0.00 0.00 -0.04 -0.18 121.76 120.11 3cfk s ALA 89 Ca 0.32 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.33 3cfk s ALA 89 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 3cfk s ALA 89 CO 0.24 -0.01 -0.06 -0.51 0.00 0.00 0.00 175.76 175.42 3cfk s LEU 90 N 0.59 3.23 0.08 0.00 1.43 0.27 -1.71 118.68 122.57 3cfk s LEU 90 Ca -0.06 -0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 3cfk s LEU 90 Cb -0.09 -1.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 3cfk s LEU 90 CO -0.01 0.34 0.48 0.26 0.23 0.00 0.00 176.35 177.65 3cfk s TRP 91 N -0.89 3.67 -0.28 0.29 0.52 0.23 -0.31 118.94 122.18 3cfk s TRP 91 Ca 0.14 1.03 0.01 0.00 0.02 0.00 0.00 56.10 57.29 3cfk s TRP 91 Cb -0.11 -2.33 0.16 0.00 -1.15 0.00 0.00 33.47 30.04 3cfk s TRP 91 CO 0.04 0.54 0.44 1.21 0.02 0.00 0.00 176.95 179.19 3cfk s ASN 92 N -1.44 -0.07 1.00 2.95 3.04 -0.71 -4.43 114.94 115.28 3cfk s ASN 92 Ca 0.31 0.02 0.00 0.00 0.04 0.00 0.00 52.86 53.24 3cfk s ASN 92 Cb -0.16 1.33 0.00 0.00 -1.54 0.00 0.00 41.25 40.88 3cfk s ASN 92 CO 0.17 -0.32 0.00 -1.20 -3.04 0.00 0.00 177.10 172.71 3cfk n SER 93 N 5.37 0.00 0.10 -4.21 7.64 -1.26 -1.24 113.62 120.02 3cfk n SER 93 Ca -0.01 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.76 3cfk n SER 93 Cb 0.50 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.64 3cfk n SER 93 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3cfk h ASN 94 N 0.00 -1.03 -3.91 6.43 4.21 -2.03 -3.47 115.58 115.78 3cfk h ASN 94 Ca 0.00 0.10 -0.52 0.00 1.21 0.00 0.00 56.30 57.10 3cfk h ASN 94 Cb 0.00 0.37 0.21 0.00 -1.12 0.00 0.00 38.32 37.78 3cfk h ASN 94 CO 0.00 -0.39 -0.07 1.41 -1.29 0.00 0.00 177.43 177.10 3cfk n HIS 95 N -4.45 -0.02 -4.96 1.19 8.25 -0.37 -5.06 115.22 109.79 3cfk n HIS 95 Ca -0.06 0.31 -0.32 0.00 -0.26 0.00 0.00 57.72 57.39 3cfk n HIS 95 Cb 0.28 -1.91 -0.14 0.00 1.12 0.00 0.00 29.99 29.34 3cfk n HIS 95 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3cfk s LEU 96 N -4.81 2.57 -0.11 2.41 2.96 -1.26 -1.74 118.68 118.69 3cfk s LEU 96 Ca 0.64 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 3cfk s LEU 96 Cb -0.22 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 44.97 3cfk s LEU 96 CO 0.62 0.29 -0.09 -0.69 -1.32 0.00 0.00 176.35 175.15 3cfk s VAL 97 N -0.39 1.15 0.28 1.68 1.01 0.58 -4.96 120.40 119.74 3cfk s VAL 97 Ca 0.04 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 3cfk s VAL 97 Cb -0.12 -1.13 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 3cfk s VAL 97 CO 0.02 0.38 0.85 -0.36 0.00 0.00 0.00 175.10 176.00 3cfk s PHE 98 N 1.55 3.67 1.01 5.22 0.08 -1.26 -0.56 117.98 127.69 3cfk s PHE 98 Ca 0.03 1.62 -0.15 0.00 0.12 0.00 0.00 56.93 58.55 3cfk s PHE 98 Cb -0.13 -2.80 0.20 0.00 -0.57 0.00 0.00 43.02 39.72 3cfk s PHE 98 CO -0.07 0.26 1.18 0.20 -0.10 0.00 0.00 175.22 176.69 3cfk s GLY 99 N -1.63 1.63 0.07 4.36 0.00 0.75 -4.54 107.32 107.95 3cfk s GLY 99 Ca 0.47 -0.83 0.28 0.00 0.00 0.00 0.00 44.72 44.64 3cfk s GLY 99 CO 0.23 -0.12 1.87 0.61 0.00 0.00 0.00 173.10 175.69 3cfk n GLY 100 N -2.23 -1.56 0.00 0.20 0.00 -1.25 -4.78 105.19 95.57 3cfk n GLY 100 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3cfk n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfk n GLY 101 N 1.41 1.33 2.97 -0.02 0.00 -1.26 -5.03 105.19 104.58 3cfk n GLY 101 Ca 0.06 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 3cfk n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cfk s THR 102 N -2.32 1.43 -0.01 2.61 2.01 -0.59 -4.47 115.64 114.29 3cfk s THR 102 Ca 0.00 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 3cfk s THR 102 Cb 0.00 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 3cfk s THR 102 CO 0.00 0.28 1.31 -0.54 -0.69 0.00 0.00 174.62 174.99 3cfk s LYS 103 N 1.51 4.32 -0.33 4.92 1.02 -0.18 -1.54 119.74 129.45 3cfk s LYS 103 Ca 0.02 1.85 -0.11 0.00 0.02 0.00 0.00 55.97 57.75 3cfk s LYS 103 Cb -0.14 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 3cfk s LYS 103 CO -0.09 -0.50 0.18 -1.17 -0.92 0.00 0.00 175.35 172.85 3cfk s LEU 104 N 2.21 4.36 -0.20 3.17 2.96 -0.19 -0.79 118.68 130.18 3cfk s LEU 104 Ca 0.61 -0.64 -0.11 0.00 -0.22 0.00 0.00 54.13 53.76 3cfk s LEU 104 Cb -0.29 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 3cfk s LEU 104 CO 0.25 -0.26 0.18 -0.70 -1.32 0.00 0.00 176.35 174.50 3cfk s GLU 105 N 1.62 4.17 -0.19 1.98 2.12 0.87 -3.42 118.70 125.85 3cfk s GLU 105 Ca 0.04 -0.16 -0.18 0.00 0.36 0.00 0.00 54.97 55.04 3cfk s GLU 105 Cb -0.18 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 3cfk s GLU 105 CO 0.07 0.22 0.49 0.42 -0.54 0.00 0.00 175.26 175.92 3cfk s ILE 106 N 0.59 5.13 0.50 -3.70 -1.09 -1.26 -1.64 121.20 119.73 3cfk s ILE 106 Ca 0.10 0.92 -0.20 0.00 -2.23 0.00 0.00 60.65 59.24 3cfk s ILE 106 Cb -0.12 -3.82 -0.08 0.00 -1.58 0.00 0.00 42.46 36.86 3cfk s ILE 106 CO 0.01 0.21 1.04 -0.75 -1.23 0.00 0.00 174.94 174.23 3cfk s LYS 107 N 1.43 3.75 0.30 2.79 2.20 -0.03 -4.94 119.74 125.23 3cfk s LYS 107 Ca 0.24 1.36 -0.15 0.00 -0.36 0.00 0.00 55.97 57.06 3cfk s LYS 107 Cb -0.15 -2.09 0.02 0.00 -1.51 0.00 0.00 37.83 34.10 3cfk s LYS 107 CO 0.09 -0.48 0.62 -0.98 -0.36 0.00 0.00 175.35 174.25 3cfk s ARG 108 N -3.29 1.82 0.63 4.03 1.04 -1.26 -4.58 118.95 117.33 3cfk s ARG 108 Ca 0.67 -1.27 -0.18 0.00 -1.04 0.00 0.00 55.73 53.92 3cfk s ARG 108 Cb -0.17 0.55 -0.02 0.00 -2.04 0.00 0.00 34.95 33.27 3cfk s ARG 108 CO 0.21 -0.80 1.22 0.95 -0.04 0.00 0.00 175.30 176.84 3cfk s THR 109 N -3.51 2.47 0.30 4.99 -4.23 -1.26 -4.91 115.64 109.49 3cfk s THR 109 Ca 0.18 0.28 -0.30 0.00 -1.18 0.00 0.00 61.69 60.68 3cfk s THR 109 Cb -0.03 -3.06 -0.11 0.00 1.34 0.00 0.00 72.50 70.63 3cfk s THR 109 CO 0.10 -0.07 1.53 0.68 -0.54 0.00 0.00 174.62 176.32 3cfk s VAL 110 N -1.62 2.23 -0.09 2.29 -7.23 -1.26 -4.81 120.40 109.91 3cfk s VAL 110 Ca 0.78 0.20 0.01 0.00 -1.81 0.00 0.00 61.98 61.16 3cfk s VAL 110 Cb -0.32 -3.13 0.02 0.00 0.56 0.00 0.00 36.38 33.51 3cfk s VAL 110 CO 0.36 0.04 -0.10 0.00 -0.31 0.00 0.00 175.10 175.09 3cfk s ALA 111 N -0.23 1.35 0.43 1.32 0.00 0.66 -4.93 121.76 120.36 3cfk s ALA 111 Ca 0.60 -0.52 -0.23 0.00 0.00 0.00 0.00 51.96 51.80 3cfk s ALA 111 Cb -0.46 -0.77 -0.08 0.00 0.00 0.00 0.00 23.12 21.81 3cfk s ALA 111 CO 0.49 -0.17 1.12 0.00 0.00 0.00 0.00 175.76 177.20 3cfk s ALA 112 N 1.21 3.03 0.39 0.00 0.00 -1.26 -1.39 121.76 123.74 3cfk s ALA 112 Ca -0.04 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 52.51 3cfk s ALA 112 Cb -0.14 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3cfk s ALA 112 CO -0.03 -0.46 1.06 -1.25 0.00 0.00 0.00 175.76 175.08 3cfk s PRO 113 N -2.60 4.18 0.20 0.00 0.04 -1.26 -4.55 135.00 131.01 3cfk s PRO 113 Ca 0.61 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 3cfk s PRO 113 Cb -0.26 -2.58 -0.08 0.00 0.04 0.00 0.00 34.50 31.62 3cfk s PRO 113 CO 0.32 -0.13 0.99 -1.12 0.04 0.00 0.00 177.00 177.09 3cfk s SER 114 N -1.51 7.50 -0.05 6.66 0.01 -0.87 -4.85 113.70 120.60 3cfk s SER 114 Ca 0.57 1.96 0.06 0.00 1.31 0.00 0.00 55.95 59.85 3cfk s SER 114 Cb -0.23 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.38 3cfk s SER 114 CO 0.29 0.00 -0.24 -0.69 0.41 0.00 0.00 173.24 173.01 3cfk s VAL 115 N -0.67 2.15 0.01 3.43 1.01 -1.26 -0.51 120.40 124.56 3cfk s VAL 115 Ca 0.44 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3cfk s VAL 115 Cb -0.26 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3cfk s VAL 115 CO 0.33 0.57 -0.04 -0.36 0.00 0.00 0.00 175.10 175.60 3cfk s PHE 116 N -0.28 0.34 -0.03 5.22 0.40 -0.53 -4.99 117.98 118.10 3cfk s PHE 116 Ca 0.00 -0.29 0.07 0.00 -0.60 0.00 0.00 56.93 56.11 3cfk s PHE 116 Cb -0.13 -0.22 -0.01 0.00 0.51 0.00 0.00 43.02 43.17 3cfk s PHE 116 CO 0.03 -0.07 -0.23 -1.50 0.70 0.00 0.00 175.22 174.15 3cfk s ILE 117 N -0.76 1.80 -0.16 0.64 2.07 -1.26 -0.21 121.20 123.32 3cfk s ILE 117 Ca -0.06 -0.96 0.01 0.00 -1.41 0.00 0.00 60.65 58.23 3cfk s ILE 117 Cb -0.06 -1.50 0.02 0.00 0.13 0.00 0.00 42.46 41.05 3cfk s ILE 117 CO -0.00 0.51 -0.18 -0.36 -1.91 0.00 0.00 174.94 172.99 3cfk s PHE 118 N -0.41 2.52 0.71 3.50 0.08 0.83 -5.00 117.98 120.20 3cfk s PHE 118 Ca 0.05 -1.41 -0.12 0.00 0.12 0.00 0.00 56.93 55.58 3cfk s PHE 118 Cb -0.10 -1.77 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 3cfk s PHE 118 CO 0.00 -0.71 1.08 -1.25 -0.10 0.00 0.00 175.22 174.24 3cfk s PRO 119 N 1.24 2.71 0.57 0.24 0.04 -1.26 -2.24 135.00 136.29 3cfk s PRO 119 Ca 0.02 1.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.96 3cfk s PRO 119 Cb -0.14 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3cfk s PRO 119 CO -0.09 -1.29 1.34 -1.25 0.04 0.00 0.00 177.00 175.74 3cfk s PRO 120 N -4.79 3.01 0.58 0.56 0.04 -1.21 -4.89 135.00 128.31 3cfk s PRO 120 Ca 0.61 2.18 -0.17 0.00 0.04 0.00 0.00 61.00 63.66 3cfk s PRO 120 Cb -0.16 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 3cfk s PRO 120 CO 0.52 -1.28 1.08 -1.54 0.04 0.00 0.00 177.00 175.83 3cfk s SER 121 N -1.07 5.71 0.53 6.66 1.04 -1.26 -4.93 113.70 120.39 3cfk s SER 121 Ca 0.74 1.97 0.20 0.00 0.48 0.00 0.00 55.95 59.34 3cfk s SER 121 Cb -0.39 -2.55 1.36 0.00 0.10 0.00 0.00 66.02 64.53 3cfk s SER 121 CO 0.45 -1.22 2.11 0.44 0.98 0.00 0.00 173.24 176.00 3cfk h ASP 122 N 0.73 0.00 -0.53 7.02 3.32 -2.00 -2.50 116.42 122.47 3cfk h ASP 122 Ca -0.48 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 3cfk h ASP 122 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3cfk h ASP 122 CO 0.57 0.00 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.69 3cfk h GLU 123 N 0.00 0.97 -0.44 3.56 5.08 -2.00 -2.63 114.58 119.11 3cfk h GLU 123 Ca 0.08 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 58.01 3cfk h GLU 123 Cb 0.34 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3cfk h GLU 123 CO -0.00 1.01 -0.07 0.37 -1.00 0.00 0.00 179.01 179.32 3cfk h GLN 124 N 0.84 0.83 -0.57 2.33 4.15 -1.77 -2.99 115.11 117.93 3cfk h GLN 124 Ca 0.14 -0.30 0.04 0.00 0.77 0.00 0.00 58.65 59.30 3cfk h GLN 124 Cb 0.62 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 3cfk h GLN 124 CO 0.04 0.93 0.38 -0.07 -1.93 0.00 0.00 178.83 178.18 3cfk h LEU 125 N 0.67 0.54 -1.82 -2.39 3.38 -1.38 0.14 115.31 114.45 3cfk h LEU 125 Ca 0.12 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.23 3cfk h LEU 125 Cb 0.60 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3cfk h LEU 125 CO 0.04 0.37 0.42 0.11 0.09 0.00 0.00 178.44 179.46 3cfk h LYS 126 N 0.62 0.18 0.00 1.13 1.57 -1.31 -2.43 116.57 116.33 3cfk h LYS 126 Ca 0.24 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3cfk h LYS 126 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3cfk h LYS 126 CO -0.07 0.12 -0.20 0.66 -0.57 0.00 0.00 179.45 179.39 3cfk h SER 127 N 0.18 0.00 0.00 0.86 4.64 -0.77 -3.48 113.55 114.98 3cfk h SER 127 Ca 0.29 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3cfk h SER 127 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3cfk h SER 127 CO -0.05 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 3cfk n GLY 128 N 1.31 0.69 3.45 -0.77 0.00 -0.92 -5.10 105.19 103.85 3cfk n GLY 128 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3cfk n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfk s THR 129 N -2.00 1.47 -0.04 2.61 -4.23 -1.25 -1.68 115.64 110.51 3cfk s THR 129 Ca 0.00 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.43 3cfk s THR 129 Cb 0.00 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.25 3cfk s THR 129 CO 0.00 -0.16 0.06 0.00 -0.54 0.00 0.00 174.62 173.97 3cfk s ALA 130 N -3.12 0.22 -0.16 3.99 0.00 -0.50 -3.57 121.76 118.62 3cfk s ALA 130 Ca 0.33 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.45 3cfk s ALA 130 Cb 0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3cfk s ALA 130 CO 0.14 -0.45 -0.06 -1.12 0.00 0.00 0.00 175.76 174.27 3cfk s SER 131 N 2.04 4.55 -0.21 0.00 0.01 -1.26 -2.11 113.70 116.73 3cfk s SER 131 Ca 0.03 -0.22 -0.05 0.00 1.31 0.00 0.00 55.95 57.03 3cfk s SER 131 Cb -0.12 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.35 3cfk s SER 131 CO -0.03 0.13 -0.01 -0.69 0.41 0.00 0.00 173.24 173.06 3cfk s VAL 132 N 0.56 3.83 -0.09 3.43 1.01 -0.08 -3.30 120.40 125.75 3cfk s VAL 132 Ca -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 3cfk s VAL 132 Cb -0.15 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3cfk s VAL 132 CO 0.03 0.42 -0.04 -0.69 0.00 0.00 0.00 175.10 174.82 3cfk s VAL 133 N 1.15 3.96 -0.11 2.92 1.01 -0.95 -0.59 120.40 127.78 3cfk s VAL 133 Ca 0.03 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3cfk s VAL 133 Cb -0.14 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3cfk s VAL 133 CO 0.01 0.58 -0.23 0.00 0.00 0.00 0.00 175.10 175.46 3cfk s LEU 135 N 0.52 2.64 -0.27 0.00 2.96 0.71 -1.01 118.68 124.22 3cfk s LEU 135 Ca -0.15 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 3cfk s LEU 135 Cb -0.17 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 44.95 3cfk s LEU 135 CO 0.05 0.16 0.00 -0.76 -1.32 0.00 0.00 176.35 174.48 3cfk s LEU 136 N 0.37 3.52 -0.13 -0.68 1.02 0.65 -1.46 118.68 121.97 3cfk s LEU 136 Ca -0.12 -0.83 0.00 0.00 0.02 0.00 0.00 54.13 53.20 3cfk s LEU 136 Cb -0.16 -1.76 -0.01 0.00 0.02 0.00 0.00 46.19 44.28 3cfk s LEU 136 CO 0.06 -0.16 -0.14 0.21 0.02 0.00 0.00 176.35 176.33 3cfk s ASN 137 N 1.39 3.88 -0.93 2.29 2.47 0.34 -0.06 114.94 124.32 3cfk s ASN 137 Ca 0.01 -0.37 -0.04 0.00 0.42 0.00 0.00 52.86 52.88 3cfk s ASN 137 Cb -0.17 -1.59 -0.05 0.00 -1.45 0.00 0.00 41.25 38.00 3cfk s ASN 137 CO -0.01 0.15 0.83 0.59 -3.72 0.00 0.00 177.10 174.95 3cfk n ASN 138 N 3.60 -6.96 -4.42 -4.21 5.03 -0.68 -2.05 115.26 105.57 3cfk n ASN 138 Ca -0.18 -0.49 -0.24 0.00 0.87 0.00 0.00 54.58 54.54 3cfk n ASN 138 Cb 0.53 -5.18 -0.11 0.00 -1.02 0.00 0.00 39.78 34.00 3cfk n ASN 138 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 3cfk s PHE 139 N -3.26 2.13 -0.19 3.10 -0.12 -0.10 -4.55 117.98 114.99 3cfk s PHE 139 Ca 0.30 -0.40 -0.17 0.00 -0.05 0.00 0.00 56.93 56.62 3cfk s PHE 139 Cb -0.04 -0.99 0.05 0.00 -0.63 0.00 0.00 43.02 41.42 3cfk s PHE 139 CO 0.73 0.55 0.51 -0.47 -0.05 0.00 0.00 175.22 176.49 3cfk s TYR 140 N -2.29 -0.59 0.35 3.49 6.14 -0.49 -0.72 117.35 123.24 3cfk s TYR 140 Ca 0.24 1.41 -0.06 0.00 0.64 0.00 0.00 57.07 59.30 3cfk s TYR 140 Cb -0.05 0.22 0.08 0.00 0.42 0.00 0.00 41.96 42.63 3cfk s TYR 140 CO 0.11 -0.29 0.42 -0.35 0.64 0.00 0.00 175.55 176.08 3cfk n PRO 141 N 3.05 -0.80 0.11 4.97 -0.04 -1.26 -0.25 135.00 140.78 3cfk n PRO 141 Ca -0.15 -0.65 -0.03 0.00 -0.04 0.00 0.00 63.50 62.63 3cfk n PRO 141 Cb 0.56 -0.48 0.05 0.00 -0.04 0.00 0.00 33.50 33.59 3cfk n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3cfk h ARG 142 N 0.00 0.00 -6.63 0.54 2.43 -1.99 -3.45 114.38 105.28 3cfk h ARG 142 Ca -0.14 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.51 3cfk h ARG 142 Cb 0.40 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 30.00 3cfk h ARG 142 CO 0.10 0.76 0.92 -1.21 -1.51 0.00 0.00 179.97 179.02 3cfk s GLU 143 N -3.18 4.19 -0.27 0.20 2.02 -1.26 -4.97 118.70 115.42 3cfk s GLU 143 Ca 0.00 2.44 -0.19 0.00 0.02 0.00 0.00 54.97 57.24 3cfk s GLU 143 Cb 0.11 -3.13 0.08 0.00 0.10 0.00 0.00 34.13 31.29 3cfk s GLU 143 CO 0.78 -0.64 0.70 0.00 0.02 0.00 0.00 175.26 176.11 3cfk s ALA 144 N 1.10 -1.83 -0.13 5.21 0.00 -1.26 -4.62 121.76 120.22 3cfk s ALA 144 Ca 0.71 2.27 -0.04 0.00 0.00 0.00 0.00 51.96 54.90 3cfk s ALA 144 Cb -0.45 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 3cfk s ALA 144 CO 0.32 -0.36 0.01 0.21 0.00 0.00 0.00 175.76 175.94 3cfk s LYS 145 N 1.19 3.47 -0.13 0.00 2.20 -0.60 -4.99 119.74 120.88 3cfk s LYS 145 Ca -0.06 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 3cfk s LYS 145 Cb -0.05 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 3cfk s LYS 145 CO -0.12 0.45 -0.20 0.08 -0.36 0.00 0.00 175.35 175.20 3cfk s VAL 146 N -0.18 2.28 -0.10 4.02 1.01 -1.26 -1.72 120.40 124.45 3cfk s VAL 146 Ca 0.05 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3cfk s VAL 146 Cb -0.12 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.34 3cfk s VAL 146 CO 0.02 0.54 -0.20 -1.10 0.00 0.00 0.00 175.10 174.36 3cfk s GLN 147 N 0.64 2.68 -0.08 2.72 -0.21 0.47 -4.97 119.66 120.91 3cfk s GLN 147 Ca -0.10 -0.75 -0.12 0.00 0.02 0.00 0.00 55.36 54.41 3cfk s GLN 147 Cb -0.16 -2.09 -0.05 0.00 1.00 0.00 0.00 33.01 31.71 3cfk s GLN 147 CO 0.02 0.11 0.30 -1.58 -2.12 0.00 0.00 175.29 172.01 3cfk s TRP 148 N 0.52 3.62 -0.01 0.91 0.52 -1.26 -0.46 118.94 122.78 3cfk s TRP 148 Ca -0.16 0.75 0.02 0.00 0.02 0.00 0.00 56.10 56.74 3cfk s TRP 148 Cb -0.17 -2.19 -0.00 0.00 -1.15 0.00 0.00 33.47 29.95 3cfk s TRP 148 CO 0.06 0.57 -0.08 0.15 0.02 0.00 0.00 176.95 177.67 3cfk s LYS 149 N -0.66 0.72 -0.15 4.98 1.02 -0.66 -0.33 119.74 124.66 3cfk s LYS 149 Ca 0.19 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 55.90 3cfk s LYS 149 Cb -0.14 -0.69 0.02 0.00 -0.52 0.00 0.00 37.83 36.50 3cfk s LYS 149 CO 0.08 0.16 -0.15 0.08 -0.92 0.00 0.00 175.35 174.60 3cfk s VAL 150 N -0.09 1.61 -1.68 3.17 1.01 -0.41 -1.28 120.40 122.72 3cfk s VAL 150 Ca 0.02 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 3cfk s VAL 150 Cb -0.04 -1.50 0.13 0.00 0.00 0.00 0.00 36.38 34.97 3cfk s VAL 150 CO -0.00 0.46 0.58 0.47 0.00 0.00 0.00 175.10 176.61 3cfk n ASP 151 N 4.69 -1.91 0.00 3.32 8.00 0.43 -1.35 116.55 129.73 3cfk n ASP 151 Ca -0.17 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.22 3cfk n ASP 151 Cb 0.50 -2.37 0.00 0.00 -0.02 0.00 0.00 41.12 39.24 3cfk n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3cfk n ASN 152 N -2.69 -2.14 -4.71 -2.24 5.03 -1.26 -5.01 115.26 102.24 3cfk n ASN 152 Ca -0.03 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.05 3cfk n ASN 152 Cb 0.54 -1.20 -0.07 0.00 -1.02 0.00 0.00 39.78 38.04 3cfk n ASN 152 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cfk s ALA 153 N -2.28 3.54 0.18 5.41 0.00 -0.46 -5.02 121.76 123.12 3cfk s ALA 153 Ca 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.29 3cfk s ALA 153 Cb 0.00 -2.55 -0.09 0.00 0.00 0.00 0.00 23.12 20.48 3cfk s ALA 153 CO 0.00 -0.03 1.39 -1.17 0.00 0.00 0.00 175.76 175.94 3cfk s LEU 154 N 0.73 4.39 0.19 0.00 2.96 -1.26 -1.28 118.68 124.40 3cfk s LEU 154 Ca 0.21 2.46 -0.11 0.00 -0.22 0.00 0.00 54.13 56.47 3cfk s LEU 154 Cb -0.14 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.87 3cfk s LEU 154 CO 0.07 -0.63 0.53 -1.10 -1.32 0.00 0.00 176.35 173.91 3cfk s GLN 155 N 0.28 3.84 -0.06 1.98 -1.52 0.55 -4.93 119.66 119.80 3cfk s GLN 155 Ca 0.61 0.32 -0.03 0.00 -1.95 0.00 0.00 55.36 54.31 3cfk s GLN 155 Cb -0.38 -2.75 0.04 0.00 -0.22 0.00 0.00 33.01 29.69 3cfk s GLN 155 CO 0.36 0.38 0.13 0.45 -0.25 0.00 0.00 175.29 176.37 3cfk s SER 156 N -2.15 0.02 -1.84 5.90 0.15 -1.26 -4.69 113.70 109.84 3cfk s SER 156 Ca 0.44 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.35 3cfk s SER 156 Cb -0.12 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 3cfk s SER 156 CO 0.20 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.10 3cfk n GLY 157 N 4.34 0.59 1.14 9.45 0.00 -1.26 -4.85 105.19 114.60 3cfk n GLY 157 Ca -0.24 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.75 3cfk n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cfk n ASN 158 N -1.45 1.25 -4.09 1.61 6.94 -1.26 -5.07 115.26 113.19 3cfk n ASN 158 Ca -0.21 -2.69 -0.12 0.00 -0.02 0.00 0.00 54.58 51.53 3cfk n ASN 158 Cb 0.66 -0.38 -0.11 0.00 -2.36 0.00 0.00 39.78 37.59 3cfk n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3cfk s SER 159 N -2.43 0.92 0.15 0.53 1.04 -1.26 -2.17 113.70 110.48 3cfk s SER 159 Ca 0.35 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3cfk s SER 159 Cb 0.37 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 3cfk s SER 159 CO -0.13 -0.26 -0.06 -1.10 0.98 0.00 0.00 173.24 172.67 3cfk s GLN 160 N -2.07 1.06 -0.01 4.02 -0.21 -0.57 -4.97 119.66 116.90 3cfk s GLN 160 Ca -0.05 -1.47 -0.10 0.00 0.02 0.00 0.00 55.36 53.75 3cfk s GLN 160 Cb -0.07 -0.45 0.01 0.00 1.00 0.00 0.00 33.01 33.50 3cfk s GLN 160 CO -0.01 -0.01 0.21 -2.00 -2.12 0.00 0.00 175.29 171.36 3cfk s GLU 161 N -3.82 0.54 -0.22 2.91 2.12 -1.26 -1.01 118.70 117.96 3cfk s GLU 161 Ca 0.19 -0.27 -0.18 0.00 0.36 0.00 0.00 54.97 55.06 3cfk s GLU 161 Cb 0.04 0.23 0.06 0.00 0.26 0.00 0.00 34.13 34.72 3cfk s GLU 161 CO 0.01 -0.14 0.57 0.45 -0.54 0.00 0.00 175.26 175.62 3cfk s SER 162 N -1.26 -0.64 0.02 -1.70 0.15 -0.53 -5.01 113.70 104.73 3cfk s SER 162 Ca -0.13 1.18 0.05 0.00 0.70 0.00 0.00 55.95 57.74 3cfk s SER 162 Cb -0.06 1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 65.38 3cfk s SER 162 CO 0.02 -0.20 -0.15 0.54 1.20 0.00 0.00 173.24 174.65 3cfk s VAL 163 N 0.63 1.21 0.81 4.45 0.11 -1.26 -1.00 120.40 125.36 3cfk s VAL 163 Ca -0.03 -0.87 -0.12 0.00 -2.93 0.00 0.00 61.98 58.04 3cfk s VAL 163 Cb -0.05 -1.05 0.08 0.00 -1.53 0.00 0.00 36.38 33.83 3cfk s VAL 163 CO -0.04 0.17 1.15 0.42 -3.33 0.00 0.00 175.10 173.47 3cfk s THR 164 N -0.62 2.41 0.68 5.04 -4.23 -0.17 -5.00 115.64 113.74 3cfk s THR 164 Ca 0.04 0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 3cfk s THR 164 Cb -0.07 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.71 3cfk s THR 164 CO 0.01 -0.18 1.05 -1.61 -0.54 0.00 0.00 174.62 173.35 3cfk s GLU 165 N -5.43 3.12 0.18 3.99 2.02 -1.26 -4.67 118.70 116.65 3cfk s GLU 165 Ca 0.61 0.84 -0.33 0.00 0.02 0.00 0.00 54.97 56.11 3cfk s GLU 165 Cb -0.12 -2.02 -0.13 0.00 0.10 0.00 0.00 34.13 31.96 3cfk s GLU 165 CO 0.51 -0.94 1.63 0.94 0.02 0.00 0.00 175.26 177.42 3cfk n GLN 166 N -3.01 2.38 -2.04 1.61 7.27 -1.26 -4.77 117.38 117.55 3cfk n GLN 166 Ca 0.07 0.86 -0.42 0.00 0.07 0.00 0.00 57.00 57.58 3cfk n GLN 166 Cb 0.54 -2.65 -0.03 0.00 2.41 0.00 0.00 30.24 30.51 3cfk n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3cfk s ASP 167 N 1.00 6.69 0.00 1.69 -1.08 0.03 -4.90 116.67 120.10 3cfk s ASP 167 Ca 0.77 2.59 0.20 0.00 -0.52 0.00 0.00 52.55 55.60 3cfk s ASP 167 Cb -0.62 -2.61 0.96 0.00 -1.46 0.00 0.00 42.92 39.20 3cfk s ASP 167 CO 0.36 -0.70 1.65 -1.54 0.52 0.00 0.00 175.17 175.46 3cfk n SER 168 N 2.82 0.00 -0.04 -0.34 3.41 -1.26 -1.58 113.62 116.62 3cfk n SER 168 Ca 0.08 0.19 -0.08 0.00 -0.26 0.00 0.00 58.87 58.81 3cfk n SER 168 Cb 0.40 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3cfk n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cfk n LYS 169 N -1.37 0.29 0.00 4.33 5.02 -1.26 -3.75 118.16 121.42 3cfk n LYS 169 Ca 0.08 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.61 3cfk n LYS 169 Cb 0.19 -1.01 0.21 0.00 -0.02 0.00 0.00 35.03 34.40 3cfk n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3cfk n ASP 170 N -3.91 1.63 -1.31 4.39 5.68 -1.26 -4.97 116.55 116.80 3cfk n ASP 170 Ca -0.14 -1.28 -0.15 0.00 -0.50 0.00 0.00 54.79 52.72 3cfk n ASP 170 Cb 0.40 0.26 -0.05 0.00 -1.14 0.00 0.00 41.12 40.60 3cfk n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3cfk n SER 171 N -0.18 -4.74 -4.97 -1.12 7.64 -0.62 -5.00 113.62 104.64 3cfk n SER 171 Ca 0.12 0.27 -0.19 0.00 1.01 0.00 0.00 58.87 60.07 3cfk n SER 171 Cb 0.42 -3.66 -0.01 0.00 -1.01 0.00 0.00 64.21 59.95 3cfk n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cfk s THR 172 N -2.61 3.91 0.27 0.44 -4.23 -1.26 -4.64 115.64 107.52 3cfk s THR 172 Ca 0.00 -1.06 0.09 0.00 -1.18 0.00 0.00 61.69 59.54 3cfk s THR 172 Cb 0.00 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 3cfk s THR 172 CO 0.00 -0.15 0.01 -0.31 -0.54 0.00 0.00 174.62 173.63 3cfk s TYR 173 N -2.21 2.73 0.07 3.99 2.02 0.11 -0.79 117.35 123.26 3cfk s TYR 173 Ca 0.45 -0.22 0.03 0.00 -0.37 0.00 0.00 57.07 56.96 3cfk s TYR 173 Cb -0.09 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 3cfk s TYR 173 CO 0.30 0.61 -0.10 -1.12 -1.57 0.00 0.00 175.55 173.67 3cfk s SER 174 N -3.69 1.24 0.00 2.29 0.01 -1.26 -0.92 113.70 111.37 3cfk s SER 174 Ca 0.32 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.91 3cfk s SER 174 Cb -0.06 0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 3cfk s SER 174 CO 0.20 -0.21 -0.03 -0.22 0.41 0.00 0.00 173.24 173.39 3cfk s LEU 175 N -1.99 2.04 -0.06 2.44 0.20 0.91 -1.00 118.68 121.22 3cfk s LEU 175 Ca -0.02 -0.12 0.03 0.00 0.69 0.00 0.00 54.13 54.71 3cfk s LEU 175 Cb -0.07 -0.13 0.00 0.00 -0.43 0.00 0.00 46.19 45.56 3cfk s LEU 175 CO 0.00 -0.01 -0.16 -0.55 -0.29 0.00 0.00 176.35 175.35 3cfk s SER 176 N -0.28 2.11 -0.02 3.68 0.15 -0.17 -0.25 113.70 118.92 3cfk s SER 176 Ca -0.01 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.33 3cfk s SER 176 Cb -0.02 -0.77 -0.00 0.00 -1.71 0.00 0.00 66.02 63.51 3cfk s SER 176 CO -0.00 0.11 -0.14 -0.55 1.20 0.00 0.00 173.24 173.86 3cfk s SER 177 N 0.30 1.72 -0.13 5.45 0.15 -0.18 -1.45 113.70 119.57 3cfk s SER 177 Ca -0.09 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.30 3cfk s SER 177 Cb -0.14 -0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 63.82 3cfk s SER 177 CO 0.04 0.14 -0.19 -0.89 1.20 0.00 0.00 173.24 173.54 3cfk s THR 178 N -0.09 2.48 -0.24 6.45 2.01 -0.18 -0.33 115.64 125.74 3cfk s THR 178 Ca 0.00 -0.86 -0.09 0.00 0.31 0.00 0.00 61.69 61.05 3cfk s THR 178 Cb -0.08 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3cfk s THR 178 CO 0.01 0.54 0.13 -0.22 -0.69 0.00 0.00 174.62 174.38 3cfk s LEU 179 N 0.51 3.88 -0.18 4.42 2.96 0.24 -1.52 118.68 128.98 3cfk s LEU 179 Ca -0.12 0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3cfk s LEU 179 Cb -0.17 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 3cfk s LEU 179 CO 0.05 0.03 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.17 3cfk s THR 180 N 1.24 3.52 0.18 3.68 2.01 -0.92 -0.90 115.64 124.44 3cfk s THR 180 Ca 0.06 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 3cfk s THR 180 Cb -0.14 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 3cfk s THR 180 CO 0.05 0.46 0.07 -1.48 -0.69 0.00 0.00 174.62 173.03 3cfk s LEU 181 N 0.90 1.69 0.64 4.42 2.34 -0.90 -4.88 118.68 122.89 3cfk s LEU 181 Ca -0.01 -1.27 -0.14 0.00 0.06 0.00 0.00 54.13 52.77 3cfk s LEU 181 Cb -0.15 0.19 -0.01 0.00 -0.56 0.00 0.00 46.19 45.66 3cfk s LEU 181 CO 0.01 -0.72 1.06 -0.94 -1.06 0.00 0.00 176.35 174.70 3cfk s SER 182 N -3.14 5.53 0.15 1.48 1.04 -1.26 -1.41 113.70 116.08 3cfk s SER 182 Ca 0.30 1.77 -0.18 0.00 0.48 0.00 0.00 55.95 58.32 3cfk s SER 182 Cb 0.07 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.72 3cfk s SER 182 CO 0.06 -1.34 1.70 0.50 0.98 0.00 0.00 173.24 175.14 3cfk h LYS 183 N -0.05 0.05 -0.69 4.02 3.64 -1.59 0.11 116.57 122.06 3cfk h LYS 183 Ca -0.46 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.00 3cfk h LYS 183 Cb 1.22 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 3cfk h LYS 183 CO 0.57 0.03 0.36 0.00 -2.27 0.00 0.00 179.45 178.14 3cfk h ALA 184 N 1.30 0.95 -0.23 5.00 0.00 -1.93 -0.76 119.26 123.58 3cfk h ALA 184 Ca 0.16 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 3cfk h ALA 184 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3cfk h ALA 184 CO -0.29 -0.00 -0.44 -0.44 0.00 0.00 0.00 179.25 178.08 3cfk h ASP 185 N 0.64 0.60 -0.29 0.00 5.19 -1.83 -2.96 116.42 117.77 3cfk h ASP 185 Ca 0.33 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 3cfk h ASP 185 Cb 0.29 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 3cfk h ASP 185 CO -0.23 0.96 0.14 0.22 -3.12 0.00 0.00 179.24 177.21 3cfk h TYR 186 N 0.46 0.47 0.00 4.55 3.20 0.20 -2.69 116.97 123.16 3cfk h TYR 186 Ca 0.03 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3cfk h TYR 186 Cb 0.95 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.06 3cfk h TYR 186 CO 0.04 0.38 0.00 0.39 -1.64 0.00 0.00 178.16 177.32 3cfk n GLU 187 N -4.40 0.12 0.00 1.82 -0.58 -0.39 -3.36 120.64 113.85 3cfk n GLU 187 Ca 0.02 0.16 0.13 0.00 -0.42 0.00 0.00 57.16 57.05 3cfk n GLU 187 Cb 0.14 -1.65 0.37 0.00 -0.57 0.00 0.00 31.44 29.72 3cfk n GLU 187 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3cfk n LYS 188 N -1.86 0.15 -4.21 3.49 5.02 -1.01 -4.92 118.16 114.82 3cfk n LYS 188 Ca 0.05 -0.07 -0.19 0.00 -2.02 0.00 0.00 58.31 56.08 3cfk n LYS 188 Cb 0.34 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.73 3cfk n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cfk s HIS 189 N -2.90 1.37 -0.22 2.13 3.76 -1.21 -5.08 115.29 113.14 3cfk s HIS 189 Ca 0.15 -0.47 -0.16 0.00 -0.15 0.00 0.00 55.06 54.43 3cfk s HIS 189 Cb 0.18 -0.75 -0.11 0.00 1.11 0.00 0.00 32.58 33.01 3cfk s HIS 189 CO 0.63 0.10 -0.20 1.17 -0.85 0.00 0.00 174.74 175.59 3cfk n LYS 190 N 1.10 0.55 -3.65 1.40 4.81 -1.26 -4.72 118.16 116.38 3cfk n LYS 190 Ca -0.20 0.36 -0.37 0.00 -0.87 0.00 0.00 58.31 57.23 3cfk n LYS 190 Cb 0.55 -1.56 -0.11 0.00 0.02 0.00 0.00 35.03 33.92 3cfk n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3cfk s VAL 191 N -2.53 4.98 -0.19 3.15 1.01 -1.26 -0.56 120.40 124.99 3cfk s VAL 191 Ca -0.31 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3cfk s VAL 191 Cb 0.08 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3cfk s VAL 191 CO 0.46 0.29 -0.11 -0.31 0.00 0.00 0.00 175.10 175.42 3cfk s TYR 192 N 1.66 2.87 0.03 5.22 1.51 -0.87 -0.43 117.35 127.33 3cfk s TYR 192 Ca 0.07 -1.16 0.06 0.00 -1.01 0.00 0.00 57.07 55.03 3cfk s TYR 192 Cb -0.16 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 3cfk s TYR 192 CO 0.08 -0.60 -0.17 0.00 -1.11 0.00 0.00 175.55 173.75 3cfk s ALA 193 N 1.25 1.46 -0.23 3.71 0.00 -0.40 -1.63 121.76 125.91 3cfk s ALA 193 Ca 0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 3cfk s ALA 193 Cb -0.14 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.72 3cfk s ALA 193 CO -0.05 0.32 -0.08 0.00 0.00 0.00 0.00 175.76 175.94 3cfk s GLU 195 N 1.33 3.48 -0.12 0.00 2.12 0.40 -1.09 118.70 124.82 3cfk s GLU 195 Ca 0.01 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 54.72 3cfk s GLU 195 Cb -0.16 -2.73 0.02 0.00 0.26 0.00 0.00 34.13 31.52 3cfk s GLU 195 CO -0.06 0.22 -0.11 0.08 -0.54 0.00 0.00 175.26 174.85 3cfk s VAL 196 N 0.36 1.28 -0.07 3.70 1.01 0.29 -0.40 120.40 126.56 3cfk s VAL 196 Ca -0.09 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3cfk s VAL 196 Cb -0.15 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3cfk s VAL 196 CO 0.05 0.41 -0.04 0.42 0.00 0.00 0.00 175.10 175.94 3cfk s THR 197 N 1.37 3.98 -0.01 3.92 -4.23 -0.70 -1.72 115.64 118.26 3cfk s THR 197 Ca 0.00 -0.38 -0.27 0.00 -1.18 0.00 0.00 61.69 59.86 3cfk s THR 197 Cb -0.13 -2.65 0.06 0.00 1.34 0.00 0.00 72.50 71.11 3cfk s THR 197 CO -0.06 0.60 0.59 -2.28 -0.54 0.00 0.00 174.62 172.93 3cfk s HIS 198 N -0.85 -0.54 0.47 3.99 2.46 -1.26 -1.56 115.29 118.00 3cfk s HIS 198 Ca 0.13 0.82 0.17 0.00 0.47 0.00 0.00 55.06 56.65 3cfk s HIS 198 Cb -0.11 0.37 1.15 0.00 -0.13 0.00 0.00 32.58 33.86 3cfk s HIS 198 CO 0.02 -0.61 2.01 0.37 -2.47 0.00 0.00 174.74 174.06 3cfk h GLN 199 N 2.99 0.24 0.00 2.88 4.15 -1.93 -0.71 115.11 122.73 3cfk h GLN 199 Ca -0.29 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3cfk h GLN 199 Cb 1.17 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3cfk h GLN 199 CO 0.40 0.16 0.00 0.41 -1.93 0.00 0.00 178.83 177.87 3cfk n GLY 200 N -1.55 -1.39 3.73 2.39 0.00 -1.26 -4.68 105.19 102.43 3cfk n GLY 200 Ca 0.08 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3cfk n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfk s LEU 201 N -3.77 4.12 0.12 0.99 1.43 -0.27 -4.58 118.68 116.72 3cfk s LEU 201 Ca 0.09 0.23 0.27 0.00 -1.03 0.00 0.00 54.13 53.69 3cfk s LEU 201 Cb 0.13 -2.05 0.99 0.00 0.03 0.00 0.00 46.19 45.29 3cfk s LEU 201 CO 0.45 0.23 1.83 -1.54 0.23 0.00 0.00 176.35 177.55 3cfk n SER 202 N 3.21 0.45 -3.50 2.29 3.41 -1.26 -4.68 113.62 113.54 3cfk n SER 202 Ca -0.17 0.55 -0.16 0.00 -0.26 0.00 0.00 58.87 58.83 3cfk n SER 202 Cb 0.53 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 3cfk n SER 202 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3cfk s SER 203 N -3.85 -0.62 0.51 4.04 1.04 -1.26 -5.15 113.70 108.42 3cfk s SER 203 Ca 0.12 0.50 -0.23 0.00 0.48 0.00 0.00 55.95 56.82 3cfk s SER 203 Cb 0.15 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.75 3cfk s SER 203 CO 0.56 -0.70 1.39 -2.84 0.98 0.00 0.00 173.24 172.63 3cfk s PRO 204 N -1.91 3.33 -0.17 4.02 0.02 -1.26 -4.98 135.00 134.06 3cfk s PRO 204 Ca -0.07 2.31 -0.11 0.00 0.02 0.00 0.00 61.00 63.16 3cfk s PRO 204 Cb -0.00 -2.40 -0.05 0.00 0.02 0.00 0.00 34.50 32.07 3cfk s PRO 204 CO 0.03 -1.06 0.18 0.08 -0.33 0.00 0.00 177.00 175.90 3cfk s VAL 205 N -1.26 5.39 -0.10 3.83 1.01 -0.70 -4.91 120.40 123.67 3cfk s VAL 205 Ca 0.68 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.98 3cfk s VAL 205 Cb -0.42 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3cfk s VAL 205 CO 0.51 0.47 -0.15 -0.89 0.00 0.00 0.00 175.10 175.05 3cfk s THR 206 N 0.05 2.97 -0.04 3.92 2.01 -1.26 -0.55 115.64 122.74 3cfk s THR 206 Ca 0.12 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.47 3cfk s THR 206 Cb -0.12 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 3cfk s THR 206 CO 0.01 0.55 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.70 3cfk s LYS 207 N -0.06 2.36 0.21 4.92 -0.14 -0.25 -4.98 119.74 121.80 3cfk s LYS 207 Ca -0.03 -0.90 -0.08 0.00 -1.36 0.00 0.00 55.97 53.59 3cfk s LYS 207 Cb -0.14 -2.09 -0.02 0.00 -1.68 0.00 0.00 37.83 33.90 3cfk s LYS 207 CO 0.04 0.44 0.32 -1.54 -0.76 0.00 0.00 175.35 173.85 3cfk s SER 208 N -0.32 0.02 0.08 2.83 1.04 -1.26 -0.51 113.70 115.59 3cfk s SER 208 Ca 0.01 -1.05 -0.07 0.00 0.48 0.00 0.00 55.95 55.32 3cfk s SER 208 Cb -0.12 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 3cfk s SER 208 CO 0.02 -0.98 0.15 0.72 0.98 0.00 0.00 173.24 174.13 3cfk s PHE 209 N -4.05 0.21 -0.26 5.02 -0.12 -0.64 -5.01 117.98 113.13 3cfk s PHE 209 Ca 0.26 -0.66 -0.08 0.00 -0.05 0.00 0.00 56.93 56.40 3cfk s PHE 209 Cb 0.03 -0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 3cfk s PHE 209 CO 0.07 -0.52 0.09 -0.80 -0.05 0.00 0.00 175.22 174.02 3cfk s ASN 210 N -2.87 5.26 0.08 1.98 0.01 -1.26 -2.06 114.94 116.08 3cfk s ASN 210 Ca 0.05 -0.24 -0.37 0.00 -0.71 0.00 0.00 52.86 51.60 3cfk s ASN 210 Cb 0.05 -1.95 -0.17 0.00 0.41 0.00 0.00 41.25 39.59 3cfk s ASN 210 CO -0.11 -0.06 1.25 -1.14 -1.51 0.00 0.00 177.10 175.54 3cfk n ARG 211 N 4.94 0.90 -2.89 -0.60 0.63 0.27 -1.74 116.66 118.17 3cfk n ARG 211 Ca -0.16 0.32 -0.15 0.00 -0.92 0.00 0.00 57.85 56.95 3cfk n ARG 211 Cb 0.51 -1.91 0.03 0.00 0.45 0.00 0.00 32.46 31.54 3cfk n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3cfk n GLY 212 N 2.25 -0.09 0.00 5.14 0.00 -1.26 -4.98 105.19 106.25 3cfk n GLY 212 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3cfk n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50