#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 4.34 -0.18 -4.62 2.96 -1.26 -4.93 118.68 114.99 3cfk s LEU 2 Ca 0.00 2.32 -0.00 0.00 -0.22 0.00 0.00 54.13 56.23 3cfk s LEU 2 Cb 0.00 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.17 3cfk s LEU 2 CO 0.00 -0.95 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.23 3cfk s VAL 3 N 4.07 2.45 -0.21 1.68 1.01 -1.26 -5.00 120.40 123.14 3cfk s VAL 3 Ca 0.76 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 3cfk s VAL 3 Cb -0.35 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3cfk s VAL 3 CO 0.32 0.51 0.20 -0.69 0.00 0.00 0.00 175.10 175.44 3cfk s VAL 4 N 1.19 5.35 -0.04 2.92 1.01 -1.26 -2.40 120.40 127.18 3cfk s VAL 4 Ca 0.02 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.37 3cfk s VAL 4 Cb -0.14 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3cfk s VAL 4 CO -0.07 0.38 -0.22 -0.89 0.00 0.00 0.00 175.10 174.29 3cfk s THR 5 N 0.73 1.80 0.19 3.92 2.01 -0.19 -3.90 115.64 120.19 3cfk s THR 5 Ca 0.11 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.22 3cfk s THR 5 Cb -0.13 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 3cfk s THR 5 CO 0.02 0.51 -0.12 -1.10 -0.69 0.00 0.00 174.62 173.24 3cfk s GLN 6 N -0.29 1.26 0.42 4.92 -0.21 -1.26 -1.23 119.66 123.27 3cfk s GLN 6 Ca 0.02 -1.56 -0.26 0.00 0.02 0.00 0.00 55.36 53.58 3cfk s GLN 6 Cb -0.11 -0.96 -0.09 0.00 1.00 0.00 0.00 33.01 32.85 3cfk s GLN 6 CO 0.01 0.14 1.46 -1.21 -2.12 0.00 0.00 175.29 173.57 3cfk s GLU 7 N -3.69 3.84 0.06 2.91 8.01 -1.26 -4.91 118.70 123.66 3cfk s GLU 7 Ca 0.21 2.50 -0.23 0.00 0.01 0.00 0.00 54.97 57.46 3cfk s GLU 7 Cb 0.01 -2.77 -0.14 0.00 -4.31 0.00 0.00 34.13 26.91 3cfk s GLU 7 CO 0.05 -0.72 1.56 0.77 0.01 0.00 0.00 175.26 176.92 3cfk h SER 8 N 2.57 0.12 -4.54 -0.19 0.02 -1.96 -3.34 113.55 106.23 3cfk h SER 8 Ca -0.51 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.11 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 0.30 -0.25 0.00 -1.14 0.00 0.00 176.83 176.36 3cfk s ALA 9 N -5.35 -0.90 0.03 3.77 0.00 -1.26 -1.57 121.76 116.47 3cfk s ALA 9 Ca -0.14 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3cfk s ALA 9 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3cfk s ALA 9 CO 0.69 -0.23 -0.05 -0.51 0.00 0.00 0.00 175.76 175.65 3cfk s LEU 11 N -0.70 2.24 -0.04 0.00 1.43 -0.47 -4.95 118.68 116.18 3cfk s LEU 11 Ca -0.08 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.57 3cfk s LEU 11 Cb -0.04 -0.01 -0.01 0.00 0.03 0.00 0.00 46.19 46.15 3cfk s LEU 11 CO 0.03 -0.25 -0.23 -0.89 0.23 0.00 0.00 176.35 175.24 3cfk s THR 12 N -1.39 1.87 0.04 5.49 2.01 -1.26 -0.98 115.64 121.42 3cfk s THR 12 Ca -0.13 -0.98 -0.06 0.00 0.31 0.00 0.00 61.69 60.83 3cfk s THR 12 Cb -0.10 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 3cfk s THR 12 CO -0.00 0.53 0.10 0.28 -0.69 0.00 0.00 174.62 174.83 3cfk s THR 13 N -0.27 0.13 0.35 -0.82 -1.32 -0.75 -4.98 115.64 107.99 3cfk s THR 13 Ca 0.01 -1.11 -0.05 0.00 -1.21 0.00 0.00 61.69 59.33 3cfk s THR 13 Cb -0.12 -0.93 -0.05 0.00 -1.51 0.00 0.00 72.50 69.90 3cfk s THR 13 CO 0.02 -0.61 0.63 -0.44 -2.21 0.00 0.00 174.62 172.00 3cfk s SER 14 N -2.17 6.40 0.38 8.08 0.01 -1.26 -0.42 113.70 124.71 3cfk s SER 14 Ca -0.04 0.77 -0.28 0.00 1.31 0.00 0.00 55.95 57.71 3cfk s SER 14 Cb -0.01 -2.17 -0.11 0.00 0.21 0.00 0.00 66.02 63.94 3cfk s SER 14 CO -0.05 -0.32 1.49 -2.84 0.41 0.00 0.00 173.24 171.93 3cfk s PRO 15 N -3.95 4.11 0.00 12.44 0.02 -1.26 -2.00 135.00 144.36 3cfk s PRO 15 Ca 0.45 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.04 3cfk s PRO 15 Cb -0.10 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3cfk s PRO 15 CO 0.34 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 3cfk n GLY 16 N 0.46 2.73 3.88 0.52 0.00 0.42 -4.89 105.19 108.31 3cfk n GLY 16 Ca 0.01 0.00 -0.30 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 -0.25 3.53 -0.08 1.61 2.02 -0.85 -4.01 118.70 120.68 3cfk s GLU 17 Ca 0.00 0.62 -0.12 0.00 0.02 0.00 0.00 54.97 55.49 3cfk s GLU 17 Cb 0.00 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 3cfk s GLU 17 CO 0.00 -0.53 0.30 0.99 0.02 0.00 0.00 175.26 176.04 3cfk s THR 18 N -3.11 5.24 0.00 3.63 2.01 -1.26 -0.85 115.64 121.30 3cfk s THR 18 Ca 0.54 0.58 0.02 0.00 0.31 0.00 0.00 61.69 63.14 3cfk s THR 18 Cb -0.11 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 3cfk s THR 18 CO 0.52 0.54 -0.08 0.54 -0.69 0.00 0.00 174.62 175.45 3cfk s VAL 19 N -0.63 0.59 -0.16 3.82 0.11 -0.69 -4.98 120.40 118.46 3cfk s VAL 19 Ca 0.19 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 3cfk s VAL 19 Cb -0.14 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 3cfk s VAL 19 CO 0.08 0.07 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.88 3cfk s THR 20 N -0.38 1.74 -0.05 5.04 2.01 -1.26 -0.87 115.64 121.87 3cfk s THR 20 Ca 0.01 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 61.10 3cfk s THR 20 Cb -0.04 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 3cfk s THR 20 CO -0.00 0.46 0.35 -0.76 -0.69 0.00 0.00 174.62 173.98 3cfk s LEU 21 N 1.41 4.41 0.35 4.42 1.02 0.11 -4.95 118.68 125.45 3cfk s LEU 21 Ca 0.04 0.80 0.09 0.00 0.02 0.00 0.00 54.13 55.08 3cfk s LEU 21 Cb -0.13 -2.47 -0.06 0.00 0.02 0.00 0.00 46.19 43.54 3cfk s LEU 21 CO -0.11 0.28 -0.02 0.42 0.02 0.00 0.00 176.35 176.94 3cfk s THR 22 N -0.71 2.47 -0.18 5.49 -4.23 -1.26 -0.68 115.64 116.54 3cfk s THR 22 Ca 0.21 -2.04 -0.04 0.00 -1.18 0.00 0.00 61.69 58.64 3cfk s THR 22 Cb -0.15 -2.76 0.09 0.00 1.34 0.00 0.00 72.50 71.02 3cfk s THR 22 CO 0.10 -0.19 0.29 0.00 -0.54 0.00 0.00 174.62 174.28 3cfk s ARG 24 N 2.44 1.75 0.09 0.00 1.70 -0.37 -1.48 118.95 123.08 3cfk s ARG 24 Ca 0.05 -1.89 0.08 0.00 -0.47 0.00 0.00 55.73 53.49 3cfk s ARG 24 Cb -0.14 -1.58 -0.03 0.00 -0.57 0.00 0.00 34.95 32.63 3cfk s ARG 24 CO -0.11 0.13 -0.20 0.45 -1.08 0.00 0.00 175.30 174.49 3cfk s SER 25 N -3.56 2.38 0.00 -2.89 0.15 -1.26 -1.02 113.70 107.49 3cfk s SER 25 Ca 0.32 -0.66 0.26 0.00 0.70 0.00 0.00 55.95 56.57 3cfk s SER 25 Cb 0.02 -0.13 0.73 0.00 -1.71 0.00 0.00 66.02 64.93 3cfk s SER 25 CO 0.15 0.04 1.56 -1.54 1.20 0.00 0.00 173.24 174.65 3cfk n SER 26 N 1.19 0.71 0.16 5.45 3.41 -1.01 -3.70 113.62 119.84 3cfk n SER 26 Ca -0.20 -0.54 0.12 0.00 -0.26 0.00 0.00 58.87 58.00 3cfk n SER 26 Cb 0.54 0.13 0.27 0.00 -0.26 0.00 0.00 64.21 64.88 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 0.61 0.00 0.00 4.04 0.02 -1.92 -3.48 113.55 112.82 3cfk h SER 27 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3cfk h SER 27 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3cfk h SER 27 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3cfk n GLY 27 N 1.20 0.78 3.69 -3.77 0.00 -1.24 -5.09 105.19 100.75 3cfk n GLY 27 Ca 0.05 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 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 1.34 -2.45 4.61 0.00 -1.26 -4.31 120.51 117.43 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 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.15 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 -0.65 4.25 0.31 0.00 1.01 0.88 -4.99 120.40 121.21 3cfk s VAL 27 Ca 0.60 1.57 0.09 0.00 0.00 0.00 0.00 61.98 64.24 3cfk s VAL 27 Cb -0.59 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 3cfk s VAL 27 CO 0.57 -0.01 -0.10 0.28 0.00 0.00 0.00 175.10 175.83 3cfk s THR 28 N 2.32 2.10 0.43 3.92 -1.32 -1.26 -4.68 115.64 117.15 3cfk s THR 28 Ca 0.56 -2.21 0.28 0.00 -1.21 0.00 0.00 61.69 59.10 3cfk s THR 28 Cb -0.25 -2.53 0.47 0.00 -1.51 0.00 0.00 72.50 68.69 3cfk s THR 28 CO 0.21 -0.27 1.65 0.74 -2.21 0.00 0.00 174.62 174.75 3cfk h THR 29 N 2.14 0.20 0.00 5.08 2.02 -1.99 0.16 112.91 120.52 3cfk h THR 29 Ca -0.41 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3cfk h THR 29 Cb 1.25 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3cfk h THR 29 CO 0.68 0.03 0.00 0.28 0.37 0.00 0.00 175.52 176.87 3cfk h SER 30 N 0.14 0.00 0.91 4.18 0.02 -1.97 -1.79 113.55 115.03 3cfk h SER 30 Ca 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.73 3cfk h SER 30 Cb 2.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.91 3cfk h SER 30 CO -0.40 0.00 -0.13 0.59 -1.14 0.00 0.00 176.83 175.75 3cfk n ASN 31 N -2.32 0.18 -3.99 3.07 5.03 0.55 -4.85 115.26 112.93 3cfk n ASN 31 Ca 0.00 0.32 -0.33 0.00 0.87 0.00 0.00 54.58 55.44 3cfk n ASN 31 Cb 0.14 -0.32 -0.01 0.00 -1.02 0.00 0.00 39.78 38.57 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 -1.56 -1.57 -1.64 3.10 4.01 -0.68 -0.67 117.16 118.16 3cfk n TYR 32 Ca 0.06 0.48 -0.48 0.00 -0.16 0.00 0.00 57.90 57.81 3cfk n TYR 32 Cb 0.35 -3.25 -0.04 0.00 -0.31 0.00 0.00 39.34 36.08 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 -4.55 0.39 -2.42 -0.72 0.00 -1.26 -4.28 120.51 107.68 3cfk n ALA 33 Ca -0.21 0.46 -0.28 0.00 0.00 0.00 0.00 53.44 53.41 3cfk n ALA 33 Cb 0.64 -2.21 -0.14 0.00 0.00 0.00 0.00 19.45 17.73 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 0.39 1.95 -0.04 0.00 2.01 -0.63 -1.49 115.64 117.83 3cfk s THR 34 Ca 0.77 -1.39 0.07 0.00 0.31 0.00 0.00 61.69 61.45 3cfk s THR 34 Cb -0.77 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.03 3cfk s THR 34 CO 0.45 0.23 -0.25 0.26 -0.69 0.00 0.00 174.62 174.62 3cfk s TRP 35 N -0.87 2.37 -0.02 4.92 0.52 -0.66 -0.78 118.94 124.42 3cfk s TRP 35 Ca 0.10 -0.60 0.07 0.00 0.02 0.00 0.00 56.10 55.69 3cfk s TRP 35 Cb -0.10 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 3cfk s TRP 35 CO 0.03 -0.14 -0.23 0.08 0.02 0.00 0.00 176.95 176.71 3cfk s VAL 36 N -0.35 1.82 -0.16 4.03 1.01 0.42 -0.83 120.40 126.35 3cfk s VAL 36 Ca 0.02 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 3cfk s VAL 36 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3cfk s VAL 36 CO 0.02 0.52 0.07 -1.58 0.00 0.00 0.00 175.10 174.12 3cfk s GLN 37 N -0.47 3.72 -0.15 2.72 0.74 0.95 -1.15 119.66 126.02 3cfk s GLN 37 Ca 0.07 -0.31 -0.00 0.00 0.05 0.00 0.00 55.36 55.17 3cfk s GLN 37 Cb -0.10 -3.15 -0.01 0.00 1.10 0.00 0.00 33.01 30.86 3cfk s GLN 37 CO -0.00 0.44 -0.13 -2.00 -0.55 0.00 0.00 175.29 173.05 3cfk s GLU 38 N -0.10 3.31 0.25 1.67 2.12 0.15 -1.06 118.70 125.03 3cfk s GLU 38 Ca 0.07 -0.71 0.10 0.00 0.36 0.00 0.00 54.97 54.80 3cfk s GLU 38 Cb -0.12 -2.68 -0.05 0.00 0.26 0.00 0.00 34.13 31.55 3cfk s GLU 38 CO 0.01 0.08 -0.11 0.15 -0.54 0.00 0.00 175.26 174.85 3cfk s LYS 39 N 0.69 1.98 0.33 4.30 1.02 -0.34 -1.04 119.74 126.68 3cfk s LYS 39 Ca -0.06 -1.52 -0.24 0.00 0.02 0.00 0.00 55.97 54.16 3cfk s LYS 39 Cb -0.15 -2.00 -0.16 0.00 -0.52 0.00 0.00 37.83 35.00 3cfk s LYS 39 CO 0.02 0.37 0.32 -2.30 -0.92 0.00 0.00 175.35 172.83 3cfk n PRO 40 N -0.55 0.09 -1.14 -1.68 -0.02 -1.26 -1.50 135.00 128.93 3cfk n PRO 40 Ca -0.07 0.03 -0.04 0.00 -2.02 0.00 0.00 63.50 61.40 3cfk n PRO 40 Cb 0.58 -1.07 -0.01 0.00 -0.02 0.00 0.00 33.50 32.98 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 2.08 -3.37 -3.58 2.55 8.00 -1.26 -4.16 116.55 116.82 3cfk n ASP 41 Ca 0.14 0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.48 3cfk n ASP 41 Cb 0.34 -1.25 0.05 0.00 -0.02 0.00 0.00 41.12 40.24 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 -2.94 -2.05 -3.73 1.24 8.25 -0.95 -4.97 115.22 110.07 3cfk n HIS 42 Ca -0.04 0.66 -0.38 0.00 -0.26 0.00 0.00 57.72 57.71 3cfk n HIS 42 Cb 0.13 -3.87 -0.12 0.00 1.12 0.00 0.00 29.99 27.25 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 -6.25 3.91 -0.05 2.41 1.43 -0.56 -4.95 118.68 114.62 3cfk s LEU 43 Ca 0.34 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3cfk s LEU 43 Cb -0.09 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3cfk s LEU 43 CO 0.82 -0.19 0.03 -0.36 0.23 0.00 0.00 176.35 176.87 3cfk s PHE 44 N 1.53 3.19 -0.06 0.29 0.08 -1.26 -1.20 117.98 120.56 3cfk s PHE 44 Ca 0.03 0.19 -0.01 0.00 0.12 0.00 0.00 56.93 57.25 3cfk s PHE 44 Cb -0.17 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3cfk s PHE 44 CO 0.03 0.50 0.02 0.99 -0.10 0.00 0.00 175.22 176.67 3cfk s THR 45 N -1.02 0.19 -0.02 0.64 2.01 -0.23 -4.96 115.64 112.26 3cfk s THR 45 Ca 0.17 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 3cfk s THR 45 Cb -0.12 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 3cfk s THR 45 CO 0.07 0.22 1.41 -0.83 -0.69 0.00 0.00 174.62 174.80 3cfk s GLY 46 N 1.97 1.82 -0.22 4.40 0.00 -1.26 -0.04 107.32 113.99 3cfk s GLY 46 Ca 0.04 0.85 -0.12 0.00 0.00 0.00 0.00 44.72 45.49 3cfk s GLY 46 CO -0.04 2.55 -0.29 1.04 0.00 0.00 0.00 173.10 176.36 3cfk n LEU 47 N 5.61 1.60 -4.04 0.66 4.77 -0.01 -4.76 117.00 120.83 3cfk n LEU 47 Ca 0.13 0.28 -0.20 0.00 -0.03 0.00 0.00 56.01 56.19 3cfk n LEU 47 Cb 0.44 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 3cfk n LEU 47 CO 0.59 0.39 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.96 3cfk s ILE 48 N -2.44 0.83 0.27 -0.08 -1.09 -1.18 -1.66 121.20 115.84 3cfk s ILE 48 Ca -0.31 -0.44 0.07 0.00 -2.23 0.00 0.00 60.65 57.75 3cfk s ILE 48 Cb 0.11 -0.71 -0.06 0.00 -1.58 0.00 0.00 42.46 40.23 3cfk s ILE 48 CO 0.39 0.24 -0.08 -0.83 -1.23 0.00 0.00 174.94 173.43 3cfk s GLY 49 N -0.15 1.76 -1.56 6.18 0.00 0.71 -1.65 107.32 112.61 3cfk s GLY 49 Ca 0.02 -1.86 -0.11 0.00 0.00 0.00 0.00 44.72 42.77 3cfk s GLY 49 CO -0.00 -1.83 0.74 0.61 0.00 0.00 0.00 173.10 172.62 3cfk n GLY 50 N -0.55 -0.39 5.00 0.20 0.00 -1.16 -1.14 105.19 107.15 3cfk n GLY 50 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.47 0.00 -1.51 2.61 -1.04 -0.56 -4.08 114.28 105.24 3cfk n THR 51 Ca -0.06 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.96 3cfk n THR 51 Cb 0.56 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.08 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 2.44 0.26 -4.57 8.00 6.94 -1.18 -3.34 115.26 123.81 3cfk n ASN 52 Ca 0.00 -1.74 -0.40 0.00 -0.02 0.00 0.00 54.58 52.42 3cfk n ASN 52 Cb 0.00 -0.14 -0.09 0.00 -2.36 0.00 0.00 39.78 37.19 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 -0.25 3.79 0.16 -3.83 3.01 -0.29 -4.64 119.74 117.68 3cfk s LYS 53 Ca 0.02 -0.20 -0.30 0.00 -1.01 0.00 0.00 55.97 54.48 3cfk s LYS 53 Cb 0.02 -3.73 -0.07 0.00 -1.01 0.00 0.00 37.83 33.04 3cfk s LYS 53 CO 0.00 -0.40 1.01 0.50 0.51 0.00 0.00 175.35 176.98 3cfk s ARG 54 N 2.04 4.68 0.49 1.68 3.52 -1.26 -0.20 118.95 129.89 3cfk s ARG 54 Ca 0.13 1.57 -0.20 0.00 -0.13 0.00 0.00 55.73 57.10 3cfk s ARG 54 Cb -0.16 -3.32 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 3cfk s ARG 54 CO 0.11 0.21 1.01 0.00 -0.81 0.00 0.00 175.30 175.82 3cfk s ALA 55 N -0.29 2.92 0.24 6.12 0.00 -0.67 -4.91 121.76 125.17 3cfk s ALA 55 Ca 0.47 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 3cfk s ALA 55 Cb -0.26 -3.21 -0.15 0.00 0.00 0.00 0.00 23.12 19.50 3cfk s ALA 55 CO 0.32 -0.24 1.01 -2.30 0.00 0.00 0.00 175.76 174.55 3cfk n PRO 56 N -1.06 1.14 0.00 0.00 -0.02 -1.26 -1.72 135.00 132.08 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 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.57 2.80 3.72 -1.23 0.00 -1.26 -5.01 105.19 105.79 3cfk n GLY 57 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.27 4.72 0.44 1.61 1.01 -0.70 -4.99 120.40 120.21 3cfk s VAL 58 Ca 0.00 1.94 -0.25 0.00 0.00 0.00 0.00 61.98 63.67 3cfk s VAL 58 Cb 0.00 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 3cfk s VAL 58 CO 0.00 0.26 1.31 -2.65 0.00 0.00 0.00 175.10 174.02 3cfk n PRO 59 N 3.28 1.97 0.10 2.72 -0.02 -1.26 -4.88 135.00 136.92 3cfk n PRO 59 Ca 0.03 0.70 0.04 0.00 -2.02 0.00 0.00 63.50 62.25 3cfk n PRO 59 Cb 0.50 -2.46 0.47 0.00 -0.02 0.00 0.00 33.50 31.99 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 2.05 1.71 -1.42 3.55 0.00 -1.99 -2.29 119.26 120.87 3cfk h ALA 60 Ca -0.49 -0.08 0.47 0.00 0.00 0.00 0.00 54.91 54.81 3cfk h ALA 60 Cb 1.29 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 3cfk h ALA 60 CO 0.60 0.23 0.95 -2.13 0.00 0.00 0.00 179.25 178.89 3cfk n ARG 61 N -4.43 -0.03 -3.36 0.00 0.63 -1.26 -4.48 116.66 103.74 3cfk n ARG 61 Ca 0.00 1.13 -0.38 0.00 -0.92 0.00 0.00 57.85 57.68 3cfk n ARG 61 Cb 0.14 -2.31 -0.06 0.00 0.45 0.00 0.00 32.46 30.68 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 -5.03 3.66 0.07 -0.14 0.08 -0.87 -1.15 117.98 114.60 3cfk s PHE 62 Ca -0.06 1.03 -0.15 0.00 0.12 0.00 0.00 56.93 57.86 3cfk s PHE 62 Cb 0.28 -2.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.31 3cfk s PHE 62 CO 0.78 0.44 0.35 -1.54 -0.10 0.00 0.00 175.22 175.15 3cfk s SER 63 N -0.41 -0.18 0.13 1.36 1.04 -0.55 -4.95 113.70 110.14 3cfk s SER 63 Ca 0.26 -0.20 0.10 0.00 0.48 0.00 0.00 55.95 56.58 3cfk s SER 63 Cb -0.17 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 3cfk s SER 63 CO 0.14 -0.70 -0.23 -0.83 0.98 0.00 0.00 173.24 172.59 3cfk s GLY 64 N -2.31 1.43 0.21 7.32 0.00 -1.26 -0.50 107.32 112.21 3cfk s GLY 64 Ca -0.02 -1.39 -0.11 0.00 0.00 0.00 0.00 44.72 43.20 3cfk s GLY 64 CO -0.06 -1.39 0.57 -1.14 0.00 0.00 0.00 173.10 171.08 3cfk n SER 65 N 0.86 -1.37 -4.62 1.64 3.41 -0.44 -4.21 113.62 108.89 3cfk n SER 65 Ca -0.18 -1.88 -0.34 0.00 -0.26 0.00 0.00 58.87 56.21 3cfk n SER 65 Cb 0.54 2.27 -0.10 0.00 -0.26 0.00 0.00 64.21 66.66 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 3.45 -0.23 1.04 1.43 -1.26 -0.42 118.68 122.69 3cfk s LEU 66 Ca 0.12 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3cfk s LEU 66 Cb -0.03 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.44 3cfk s LEU 66 CO 0.06 0.31 -0.10 -0.63 0.23 0.00 0.00 176.35 176.22 3cfk s ILE 67 N -0.45 1.84 0.00 -0.59 1.01 0.01 -4.93 121.20 118.09 3cfk s ILE 67 Ca 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.43 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 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.62 3cfk n GLY 68 N 4.58 2.49 0.22 6.18 0.00 -1.26 -0.43 105.19 116.97 3cfk n GLY 68 Ca -0.14 0.36 0.06 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.14 1.61 3.32 -1.97 -3.46 116.42 113.79 3cfk h ASP 69 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3cfk h ASP 69 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3cfk h ASP 69 CO 0.00 0.21 -0.55 -0.13 -1.72 0.00 0.00 179.24 177.05 3cfk s ARG 70 N -4.48 2.67 0.22 3.56 0.52 0.43 -0.09 118.95 121.79 3cfk s ARG 70 Ca -0.04 -1.22 -0.14 0.00 -0.52 0.00 0.00 55.73 53.81 3cfk s ARG 70 Cb 0.15 -2.40 -0.08 0.00 0.52 0.00 0.00 34.95 33.14 3cfk s ARG 70 CO 0.69 0.34 0.62 0.00 0.02 0.00 0.00 175.30 176.97 3cfk s ALA 71 N -2.23 3.48 -0.01 2.13 0.00 -0.55 -0.81 121.76 123.77 3cfk s ALA 71 Ca 0.34 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.23 3cfk s ALA 71 Cb -0.07 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.45 3cfk s ALA 71 CO 0.23 0.42 -0.04 0.00 0.00 0.00 0.00 175.76 176.37 3cfk s ALA 72 N -1.70 0.41 -0.20 0.00 0.00 0.44 -0.62 121.76 120.09 3cfk s ALA 72 Ca 0.45 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 3cfk s ALA 72 Cb -0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 3cfk s ALA 72 CO 0.20 0.07 -0.02 -1.17 0.00 0.00 0.00 175.76 174.84 3cfk s LEU 73 N 0.08 3.10 -0.12 0.00 2.96 0.14 -1.33 118.68 123.51 3cfk s LEU 73 Ca -0.00 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 3cfk s LEU 73 Cb -0.04 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3cfk s LEU 73 CO -0.00 0.04 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.16 3cfk s THR 74 N 1.14 4.09 -0.26 3.68 2.01 0.35 0.07 115.64 126.73 3cfk s THR 74 Ca 0.02 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 3cfk s THR 74 Cb -0.14 -2.75 0.02 0.00 0.01 0.00 0.00 72.50 69.63 3cfk s THR 74 CO 0.00 0.55 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.83 3cfk s ILE 75 N -0.26 3.23 -0.52 1.82 1.01 -0.05 -1.48 121.20 124.96 3cfk s ILE 75 Ca 0.05 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 3cfk s ILE 75 Cb -0.13 -2.63 0.09 0.00 0.01 0.00 0.00 42.46 39.81 3cfk s ILE 75 CO 0.02 0.19 0.54 -0.89 0.00 0.00 0.00 174.94 174.80 3cfk s THR 76 N 1.39 5.07 0.00 2.92 2.01 -0.30 -1.70 115.64 125.02 3cfk s THR 76 Ca 0.01 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 60.97 3cfk s THR 76 Cb -0.17 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.05 3cfk s THR 76 CO -0.02 -0.82 0.00 0.61 -0.69 0.00 0.00 174.62 173.70 3cfk n GLY 77 N 5.23 0.87 3.70 4.40 0.00 -0.93 -4.77 105.19 113.69 3cfk n GLY 77 Ca -0.11 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.86 1.61 -2.75 4.61 0.00 -0.03 -4.32 120.51 118.78 3cfk n ALA 78 Ca 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 3cfk n ALA 78 Cb 0.30 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 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 -0.89 2.66 0.43 0.00 -0.21 -1.26 -0.43 119.66 119.95 3cfk s GLN 79 Ca 0.63 -1.16 0.13 0.00 0.02 0.00 0.00 55.36 54.98 3cfk s GLN 79 Cb -0.58 -2.42 1.01 0.00 1.00 0.00 0.00 33.01 32.02 3cfk s GLN 79 CO 0.53 0.40 1.98 1.79 -2.12 0.00 0.00 175.29 177.88 3cfk h THR 80 N 1.78 0.91 0.00 -0.19 1.35 -1.95 0.73 112.91 115.55 3cfk h THR 80 Ca -0.47 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3cfk h THR 80 Cb 1.23 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3cfk h THR 80 CO 0.60 0.08 0.00 -1.84 -0.25 0.00 0.00 175.52 174.11 3cfk n GLU 81 N -4.47 0.08 0.00 4.72 0.00 -1.25 -2.46 120.64 117.25 3cfk n GLU 81 Ca 0.09 0.23 0.15 0.00 0.00 0.00 0.00 57.16 57.64 3cfk n GLU 81 Cb 0.35 -1.50 0.85 0.00 0.00 0.00 0.00 31.44 31.13 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 -1.41 0.02 -4.66 -1.84 8.00 0.25 -4.82 116.55 112.09 3cfk n ASP 82 Ca 0.04 -0.57 -0.42 0.00 0.71 0.00 0.00 54.79 54.55 3cfk n ASP 82 Cb 0.13 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 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 -2.29 4.07 -0.06 -1.24 2.02 -1.03 -4.85 118.70 115.31 3cfk s GLU 83 Ca 0.38 2.59 -0.31 0.00 0.02 0.00 0.00 54.97 57.65 3cfk s GLU 83 Cb 0.21 -4.18 0.12 0.00 0.10 0.00 0.00 34.13 30.38 3cfk s GLU 83 CO 0.42 -1.04 1.37 0.00 0.02 0.00 0.00 175.26 176.02 3cfk s ALA 84 N 4.75 -2.52 -0.18 5.21 0.00 -1.20 -4.89 121.76 122.93 3cfk s ALA 84 Ca 0.90 0.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 3cfk s ALA 84 Cb -0.42 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3cfk s ALA 84 CO 0.41 -1.11 0.06 0.42 0.00 0.00 0.00 175.76 175.54 3cfk s ILE 85 N -2.09 4.74 -0.19 0.00 1.01 -0.21 -0.85 121.20 123.61 3cfk s ILE 85 Ca 0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 3cfk s ILE 85 Cb 0.04 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 3cfk s ILE 85 CO -0.04 0.47 -0.06 -0.31 0.00 0.00 0.00 174.94 175.00 3cfk s TYR 86 N 0.30 2.94 -0.10 3.97 1.51 -0.26 0.30 117.35 126.01 3cfk s TYR 86 Ca 0.03 -0.79 -0.01 0.00 -1.01 0.00 0.00 57.07 55.29 3cfk s TYR 86 Cb -0.12 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 3cfk s TYR 86 CO 0.00 -0.41 -0.04 -0.06 -1.11 0.00 0.00 175.55 173.93 3cfk s PHE 87 N 1.12 3.01 0.17 2.71 0.08 -0.30 -0.93 117.98 123.85 3cfk s PHE 87 Ca 0.01 -0.05 0.04 0.00 0.12 0.00 0.00 56.93 57.06 3cfk s PHE 87 Cb -0.15 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 3cfk s PHE 87 CO -0.01 0.24 0.20 0.00 -0.10 0.00 0.00 175.22 175.55 3cfk s ALA 89 N -1.80 -0.09 -0.07 0.00 0.00 0.04 -0.43 121.76 119.40 3cfk s ALA 89 Ca 0.32 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.42 3cfk s ALA 89 Cb -0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 3cfk s ALA 89 CO 0.25 -0.03 -0.23 -0.51 0.00 0.00 0.00 175.76 175.25 3cfk s LEU 90 N -0.05 2.03 0.10 0.00 1.43 -0.34 -1.60 118.68 120.25 3cfk s LEU 90 Ca -0.01 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 3cfk s LEU 90 Cb -0.01 -1.30 -0.06 0.00 0.03 0.00 0.00 46.19 44.85 3cfk s LEU 90 CO 0.00 0.19 1.10 0.26 0.23 0.00 0.00 176.35 178.13 3cfk s TRP 91 N 0.09 3.58 -0.35 0.29 0.51 0.16 -1.13 118.94 122.08 3cfk s TRP 91 Ca -0.10 1.54 -0.00 0.00 -2.12 0.00 0.00 56.10 55.42 3cfk s TRP 91 Cb -0.15 -3.27 0.12 0.00 -0.81 0.00 0.00 33.47 29.35 3cfk s TRP 91 CO 0.05 -0.64 0.16 1.21 -0.51 0.00 0.00 176.95 177.23 3cfk s ASN 92 N 0.50 3.61 0.54 2.95 3.84 0.59 -4.51 114.94 122.46 3cfk s ASN 92 Ca 0.53 -1.94 0.00 0.00 0.21 0.00 0.00 52.86 51.65 3cfk s ASN 92 Cb -0.27 -0.71 0.00 0.00 -0.55 0.00 0.00 41.25 39.72 3cfk s ASN 92 CO 0.31 -0.36 0.00 -0.24 -2.79 0.00 0.00 177.10 174.02 3cfk n SER 93 N 4.42 0.00 0.03 -4.21 2.88 -1.26 -1.69 113.62 113.79 3cfk n SER 93 Ca 0.03 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.47 3cfk n SER 93 Cb 0.39 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.89 3cfk n SER 93 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3cfk h ASN 94 N 0.00 0.56 -4.16 -3.46 4.21 -2.02 -3.48 115.58 107.22 3cfk h ASN 94 Ca 0.00 -0.34 -0.55 0.00 1.21 0.00 0.00 56.30 56.62 3cfk h ASN 94 Cb 0.00 -0.16 -0.22 0.00 -1.12 0.00 0.00 38.32 36.82 3cfk h ASN 94 CO 0.00 1.07 -0.82 -1.38 -1.29 0.00 0.00 177.43 175.00 3cfk s HIS 95 N -3.77 1.78 -0.01 1.19 -3.43 -0.68 -5.13 115.29 105.23 3cfk s HIS 95 Ca -0.07 -0.42 -0.19 0.00 -0.80 0.00 0.00 55.06 53.58 3cfk s HIS 95 Cb 0.11 -0.97 -0.05 0.00 -1.43 0.00 0.00 32.58 30.23 3cfk s HIS 95 CO 0.84 0.21 0.54 -1.17 -2.00 0.00 0.00 174.74 173.16 3cfk s LEU 96 N -1.94 4.42 -0.13 5.38 2.96 -1.26 -0.30 118.68 127.80 3cfk s LEU 96 Ca 0.07 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.06 3cfk s LEU 96 Cb -0.10 -2.82 0.02 0.00 0.50 0.00 0.00 46.19 43.79 3cfk s LEU 96 CO 0.04 0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.40 3cfk s VAL 97 N -0.32 1.40 0.33 1.68 1.01 -0.28 -4.95 120.40 119.27 3cfk s VAL 97 Ca 0.29 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 3cfk s VAL 97 Cb -0.18 -1.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.77 3cfk s VAL 97 CO 0.16 0.43 0.87 -0.36 0.00 0.00 0.00 175.10 176.19 3cfk s PHE 98 N 1.48 3.52 0.98 5.22 0.08 -1.26 -1.19 117.98 126.80 3cfk s PHE 98 Ca 0.03 1.56 -0.15 0.00 0.12 0.00 0.00 56.93 58.49 3cfk s PHE 98 Cb -0.13 -2.78 0.19 0.00 -0.57 0.00 0.00 43.02 39.73 3cfk s PHE 98 CO -0.09 0.13 1.22 0.20 -0.10 0.00 0.00 175.22 176.58 3cfk s GLY 99 N -1.89 1.67 0.04 4.36 0.00 0.43 -4.51 107.32 107.41 3cfk s GLY 99 Ca 0.53 -0.92 0.28 0.00 0.00 0.00 0.00 44.72 44.61 3cfk s GLY 99 CO 0.19 -0.22 1.90 0.61 0.00 0.00 0.00 173.10 175.59 3cfk n GLY 100 N -2.79 -1.53 0.00 0.20 0.00 -1.25 -4.80 105.19 95.02 3cfk n GLY 100 Ca 0.12 -0.09 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 1.46 1.47 2.98 -0.02 0.00 -1.26 -5.03 105.19 104.78 3cfk n GLY 101 Ca 0.07 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.33 1.43 -0.08 2.61 2.01 -0.10 -4.48 115.64 114.69 3cfk s THR 102 Ca 0.00 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 3cfk s THR 102 Cb 0.00 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 3cfk s THR 102 CO 0.00 0.36 1.30 -0.54 -0.69 0.00 0.00 174.62 175.06 3cfk s LYS 103 N 1.53 4.28 -0.31 4.92 1.02 -0.61 -1.10 119.74 129.47 3cfk s LYS 103 Ca 0.04 1.78 -0.10 0.00 0.02 0.00 0.00 55.97 57.70 3cfk s LYS 103 Cb -0.14 -3.67 -0.01 0.00 -0.52 0.00 0.00 37.83 33.49 3cfk s LYS 103 CO -0.10 -0.60 0.17 -1.17 -0.92 0.00 0.00 175.35 172.74 3cfk s LEU 104 N 2.87 4.18 -0.20 3.17 2.96 -0.03 -1.37 118.68 130.25 3cfk s LEU 104 Ca 0.59 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.95 3cfk s LEU 104 Cb -0.26 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 3cfk s LEU 104 CO 0.21 -0.19 0.12 -0.70 -1.32 0.00 0.00 176.35 174.48 3cfk s GLU 105 N 1.65 4.14 -0.17 1.98 2.12 -0.16 -3.25 118.70 125.01 3cfk s GLU 105 Ca 0.05 -0.24 -0.19 0.00 0.36 0.00 0.00 54.97 54.95 3cfk s GLU 105 Cb -0.17 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 3cfk s GLU 105 CO 0.08 0.26 0.51 0.42 -0.54 0.00 0.00 175.26 175.99 3cfk s ILE 106 N 0.46 5.13 0.49 -3.70 -1.09 -1.26 -1.81 121.20 119.41 3cfk s ILE 106 Ca 0.07 0.97 -0.20 0.00 -2.23 0.00 0.00 60.65 59.26 3cfk s ILE 106 Cb -0.12 -3.84 -0.08 0.00 -1.58 0.00 0.00 42.46 36.84 3cfk s ILE 106 CO -0.01 0.22 1.05 -0.75 -1.23 0.00 0.00 174.94 174.22 3cfk s LYS 107 N 1.34 3.75 0.33 2.79 2.20 0.44 -4.94 119.74 125.64 3cfk s LYS 107 Ca 0.25 1.40 -0.11 0.00 -0.36 0.00 0.00 55.97 57.15 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 0.10 -0.48 0.61 -0.98 -0.36 0.00 0.00 175.35 174.23 3cfk s ARG 108 N -3.23 1.93 0.54 4.03 1.04 -1.26 -4.54 118.95 117.46 3cfk s ARG 108 Ca 0.68 -1.47 -0.20 0.00 -1.04 0.00 0.00 55.73 53.71 3cfk s ARG 108 Cb -0.17 0.53 -0.06 0.00 -2.04 0.00 0.00 34.95 33.21 3cfk s ARG 108 CO 0.21 -0.85 1.15 0.95 -0.04 0.00 0.00 175.30 176.72 3cfk s THR 109 N -3.10 3.07 0.33 4.99 -4.23 -1.26 -4.93 115.64 110.52 3cfk s THR 109 Ca 0.22 0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 61.12 3cfk s THR 109 Cb -0.03 -3.28 -0.11 0.00 1.34 0.00 0.00 72.50 70.42 3cfk s THR 109 CO 0.14 -0.13 1.55 0.68 -0.54 0.00 0.00 174.62 176.31 3cfk s VAL 110 N -1.71 2.05 -0.09 2.29 -7.23 -1.26 -4.82 120.40 109.62 3cfk s VAL 110 Ca 0.72 0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.94 3cfk s VAL 110 Cb -0.26 -3.03 0.02 0.00 0.56 0.00 0.00 36.38 33.68 3cfk s VAL 110 CO 0.29 0.01 -0.10 0.00 -0.31 0.00 0.00 175.10 174.99 3cfk s ALA 111 N -0.54 1.30 0.43 1.32 0.00 0.59 -4.92 121.76 119.94 3cfk s ALA 111 Ca 0.58 -0.49 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 3cfk s ALA 111 Cb -0.47 -0.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.81 3cfk s ALA 111 CO 0.55 -0.18 1.11 0.00 0.00 0.00 0.00 175.76 177.25 3cfk s ALA 112 N 1.24 3.04 0.38 0.00 0.00 -1.26 -1.35 121.76 123.80 3cfk s ALA 112 Ca -0.04 0.83 -0.25 0.00 0.00 0.00 0.00 51.96 52.50 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 -0.45 1.10 -1.25 0.00 0.00 0.00 175.76 175.13 3cfk s PRO 113 N -2.58 4.20 0.20 0.00 0.04 -1.26 -4.54 135.00 131.06 3cfk s PRO 113 Ca 0.60 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 3cfk s PRO 113 Cb -0.26 -2.69 -0.08 0.00 0.04 0.00 0.00 34.50 31.51 3cfk s PRO 113 CO 0.32 -0.14 1.04 -1.12 0.04 0.00 0.00 177.00 177.13 3cfk s SER 114 N -1.31 7.40 -0.04 6.66 0.01 -0.92 -4.85 113.70 120.66 3cfk s SER 114 Ca 0.55 2.04 0.07 0.00 1.31 0.00 0.00 55.95 59.92 3cfk s SER 114 Cb -0.26 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.34 3cfk s SER 114 CO 0.33 -0.09 -0.25 -0.69 0.41 0.00 0.00 173.24 172.95 3cfk s VAL 115 N -0.57 2.09 0.01 3.43 1.01 -1.26 -0.50 120.40 124.61 3cfk s VAL 115 Ca 0.46 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3cfk s VAL 115 Cb -0.28 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 3cfk s VAL 115 CO 0.34 0.58 -0.02 -0.36 0.00 0.00 0.00 175.10 175.64 3cfk s PHE 116 N -0.44 0.15 -0.03 5.22 0.40 -0.42 -4.99 117.98 117.87 3cfk s PHE 116 Ca 0.05 -0.28 0.07 0.00 -0.60 0.00 0.00 56.93 56.17 3cfk s PHE 116 Cb -0.11 -0.11 -0.01 0.00 0.51 0.00 0.00 43.02 43.29 3cfk s PHE 116 CO 0.01 -0.10 -0.23 -1.50 0.70 0.00 0.00 175.22 174.10 3cfk s ILE 117 N -0.76 1.83 -0.16 0.64 2.07 -1.26 -0.36 121.20 123.21 3cfk s ILE 117 Ca -0.08 -0.98 0.01 0.00 -1.41 0.00 0.00 60.65 58.19 3cfk s ILE 117 Cb -0.05 -1.53 0.02 0.00 0.13 0.00 0.00 42.46 41.02 3cfk s ILE 117 CO -0.00 0.52 -0.19 -0.36 -1.91 0.00 0.00 174.94 173.00 3cfk s PHE 118 N -0.40 2.57 0.78 3.50 0.08 0.63 -5.00 117.98 120.15 3cfk s PHE 118 Ca 0.05 -1.45 -0.11 0.00 0.12 0.00 0.00 56.93 55.54 3cfk s PHE 118 Cb -0.10 -1.79 0.06 0.00 -0.57 0.00 0.00 43.02 40.61 3cfk s PHE 118 CO 0.00 -0.72 1.09 -1.25 -0.10 0.00 0.00 175.22 174.24 3cfk s PRO 119 N 1.24 2.21 0.54 0.24 0.04 -1.26 -2.18 135.00 135.82 3cfk s PRO 119 Ca 0.02 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 61.86 3cfk s PRO 119 Cb -0.13 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3cfk s PRO 119 CO -0.10 -1.63 1.28 -1.25 0.04 0.00 0.00 177.00 175.34 3cfk s PRO 120 N -4.96 3.24 0.56 0.56 0.04 -1.19 -4.86 135.00 128.39 3cfk s PRO 120 Ca 0.61 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.51 3cfk s PRO 120 Cb -0.16 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 3cfk s PRO 120 CO 0.56 -1.05 1.08 -1.54 0.04 0.00 0.00 177.00 176.09 3cfk s SER 121 N -1.18 5.82 0.54 6.66 1.04 -1.26 -4.92 113.70 120.40 3cfk s SER 121 Ca 0.71 1.98 0.22 0.00 0.48 0.00 0.00 55.95 59.34 3cfk s SER 121 Cb -0.36 -2.56 1.39 0.00 0.10 0.00 0.00 66.02 64.60 3cfk s SER 121 CO 0.42 -1.14 2.09 0.44 0.98 0.00 0.00 173.24 176.03 3cfk h ASP 122 N 0.92 0.00 -0.34 7.02 3.32 -2.00 -2.41 116.42 122.94 3cfk h ASP 122 Ca -0.49 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.45 3cfk h ASP 122 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3cfk h ASP 122 CO 0.57 0.00 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.57 3cfk h GLU 123 N 0.00 0.81 -0.35 3.56 5.08 -2.00 -2.74 114.58 118.94 3cfk h GLU 123 Ca 0.10 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 58.01 3cfk h GLU 123 Cb 0.43 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3cfk h GLU 123 CO -0.00 0.94 -0.31 0.37 -1.00 0.00 0.00 179.01 179.01 3cfk h GLN 124 N 0.72 0.83 -0.69 2.33 4.15 -1.76 -3.12 115.11 117.57 3cfk h GLN 124 Ca 0.10 -0.42 0.04 0.00 0.77 0.00 0.00 58.65 59.14 3cfk h GLN 124 Cb 0.71 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.37 3cfk h GLN 124 CO 0.05 1.06 0.45 -0.07 -1.93 0.00 0.00 178.83 178.40 3cfk h LEU 125 N 0.61 0.68 -1.75 -2.39 3.38 -1.41 0.73 115.31 115.16 3cfk h LEU 125 Ca 0.06 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.20 3cfk h LEU 125 Cb 0.89 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 3cfk h LEU 125 CO 0.08 0.46 0.50 0.11 0.09 0.00 0.00 178.44 179.68 3cfk h LYS 126 N 0.79 0.22 0.00 1.13 1.57 -1.42 -2.35 116.57 116.52 3cfk h LYS 126 Ca 0.28 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3cfk h LYS 126 Cb 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3cfk h LYS 126 CO -0.08 0.15 -0.18 -1.13 -0.57 0.00 0.00 179.45 177.63 3cfk n SER 127 N -4.42 0.67 0.00 0.86 3.41 0.24 -4.95 113.62 109.44 3cfk n SER 127 Ca 0.14 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3cfk n SER 127 Cb 0.64 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3cfk n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfk n GLY 128 N 1.35 0.67 3.44 5.00 0.00 -0.88 -5.10 105.19 109.67 3cfk n GLY 128 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 1.28 -0.03 2.61 -4.23 -1.25 -1.75 115.64 110.27 3cfk s THR 129 Ca 0.00 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 3cfk s THR 129 Cb 0.00 -2.71 0.03 0.00 1.34 0.00 0.00 72.50 71.16 3cfk s THR 129 CO 0.00 -0.08 0.05 0.00 -0.54 0.00 0.00 174.62 174.05 3cfk s ALA 130 N -3.24 0.20 -0.14 3.99 0.00 -0.48 -3.53 121.76 118.55 3cfk s ALA 130 Ca 0.35 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 3cfk s ALA 130 Cb 0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3cfk s ALA 130 CO 0.14 -0.37 -0.10 -1.12 0.00 0.00 0.00 175.76 174.32 3cfk s SER 131 N 1.81 4.28 -0.17 0.00 0.01 -1.26 -1.97 113.70 116.40 3cfk s SER 131 Ca 0.00 -0.26 -0.05 0.00 1.31 0.00 0.00 55.95 56.95 3cfk s SER 131 Cb -0.12 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.40 3cfk s SER 131 CO -0.03 0.16 0.00 -0.69 0.41 0.00 0.00 173.24 173.09 3cfk s VAL 132 N 0.39 4.21 -0.06 3.43 1.01 0.03 -3.15 120.40 126.25 3cfk s VAL 132 Ca -0.08 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3cfk s VAL 132 Cb -0.15 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 3cfk s VAL 132 CO 0.04 0.47 -0.14 -0.69 0.00 0.00 0.00 175.10 174.79 3cfk s VAL 133 N 0.49 3.10 -0.09 2.92 1.01 -0.93 -0.67 120.40 126.23 3cfk s VAL 133 Ca -0.01 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3cfk s VAL 133 Cb -0.14 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 3cfk s VAL 133 CO 0.02 0.58 -0.24 0.00 0.00 0.00 0.00 175.10 175.47 3cfk s LEU 135 N 0.22 2.32 -0.27 0.00 2.96 0.52 -1.07 118.68 123.35 3cfk s LEU 135 Ca -0.15 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.27 3cfk s LEU 135 Cb -0.17 -1.48 0.03 0.00 0.50 0.00 0.00 46.19 45.07 3cfk s LEU 135 CO 0.08 0.19 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.53 3cfk s LEU 136 N 0.20 3.55 -0.12 -0.68 1.02 0.00 -1.31 118.68 121.34 3cfk s LEU 136 Ca -0.12 -0.93 0.01 0.00 0.02 0.00 0.00 54.13 53.11 3cfk s LEU 136 Cb -0.16 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 3cfk s LEU 136 CO 0.07 -0.18 -0.16 0.21 0.02 0.00 0.00 176.35 176.31 3cfk s ASN 137 N 1.36 3.78 -1.00 2.29 2.47 0.34 -0.31 114.94 123.87 3cfk s ASN 137 Ca -0.00 -0.38 -0.06 0.00 0.42 0.00 0.00 52.86 52.83 3cfk s ASN 137 Cb -0.18 -1.53 -0.05 0.00 -1.45 0.00 0.00 41.25 38.04 3cfk s ASN 137 CO -0.02 0.17 0.86 0.59 -3.72 0.00 0.00 177.10 174.99 3cfk n ASN 138 N 3.48 -6.74 -4.48 -4.21 5.03 -0.80 -2.15 115.26 105.39 3cfk n ASN 138 Ca -0.18 -0.62 -0.24 0.00 0.87 0.00 0.00 54.58 54.41 3cfk n ASN 138 Cb 0.53 -5.03 -0.10 0.00 -1.02 0.00 0.00 39.78 34.16 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 -3.32 2.32 -0.20 3.10 -0.71 -0.18 -4.54 117.98 114.45 3cfk s PHE 139 Ca 0.37 -0.33 -0.17 0.00 -1.04 0.00 0.00 56.93 55.76 3cfk s PHE 139 Cb -0.06 -1.01 0.05 0.00 -1.21 0.00 0.00 43.02 40.79 3cfk s PHE 139 CO 0.75 0.70 0.52 -0.47 -1.34 0.00 0.00 175.22 175.38 3cfk s TYR 140 N -2.43 -0.60 0.28 3.49 6.14 -0.46 -0.46 117.35 123.30 3cfk s TYR 140 Ca 0.29 1.42 -0.05 0.00 0.64 0.00 0.00 57.07 59.38 3cfk s TYR 140 Cb -0.05 0.23 0.06 0.00 0.42 0.00 0.00 41.96 42.62 3cfk s TYR 140 CO 0.15 -0.30 0.33 -0.35 0.64 0.00 0.00 175.55 176.03 3cfk n PRO 141 N 3.07 -0.67 0.10 4.97 -0.04 -1.26 -0.30 135.00 140.88 3cfk n PRO 141 Ca -0.15 -0.52 -0.03 0.00 -0.04 0.00 0.00 63.50 62.76 3cfk n PRO 141 Cb 0.56 -0.38 0.02 0.00 -0.04 0.00 0.00 33.50 33.66 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 -6.62 0.54 2.43 -1.99 -3.45 114.38 105.29 3cfk h ARG 142 Ca -0.11 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.53 3cfk h ARG 142 Cb 0.32 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 29.91 3cfk h ARG 142 CO 0.08 0.77 0.91 -1.21 -1.51 0.00 0.00 179.97 179.01 3cfk s GLU 143 N -3.06 4.19 -0.27 0.20 2.02 -1.26 -4.97 118.70 115.56 3cfk s GLU 143 Ca 0.01 2.42 -0.22 0.00 0.02 0.00 0.00 54.97 57.20 3cfk s GLU 143 Cb 0.10 -3.13 0.07 0.00 0.10 0.00 0.00 34.13 31.27 3cfk s GLU 143 CO 0.78 -0.64 0.71 0.00 0.02 0.00 0.00 175.26 176.13 3cfk s ALA 144 N 1.13 -1.82 -0.13 5.21 0.00 -1.26 -4.59 121.76 120.30 3cfk s ALA 144 Ca 0.71 2.18 -0.04 0.00 0.00 0.00 0.00 51.96 54.81 3cfk s ALA 144 Cb -0.45 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 3cfk s ALA 144 CO 0.32 -0.35 0.01 0.21 0.00 0.00 0.00 175.76 175.94 3cfk s LYS 145 N 0.85 3.42 -0.11 0.00 2.20 -0.49 -4.99 119.74 120.62 3cfk s LYS 145 Ca -0.04 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.19 3cfk s LYS 145 Cb -0.05 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 3cfk s LYS 145 CO -0.07 0.47 -0.23 0.08 -0.36 0.00 0.00 175.35 175.24 3cfk s VAL 146 N -0.24 2.11 -0.09 4.02 1.01 -1.26 -1.39 120.40 124.56 3cfk s VAL 146 Ca 0.06 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3cfk s VAL 146 Cb -0.12 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.45 3cfk s VAL 146 CO 0.02 0.55 -0.18 -1.10 0.00 0.00 0.00 175.10 174.40 3cfk s GLN 147 N 0.49 2.37 -0.06 2.72 -0.21 0.56 -4.96 119.66 120.56 3cfk s GLN 147 Ca -0.15 -0.64 -0.13 0.00 0.02 0.00 0.00 55.36 54.46 3cfk s GLN 147 Cb -0.17 -1.88 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 3cfk s GLN 147 CO 0.06 0.07 0.32 -1.58 -2.12 0.00 0.00 175.29 172.04 3cfk s TRP 148 N 0.60 3.64 -0.02 0.91 0.52 -1.26 0.12 118.94 123.45 3cfk s TRP 148 Ca -0.15 0.80 0.02 0.00 0.02 0.00 0.00 56.10 56.80 3cfk s TRP 148 Cb -0.17 -2.22 0.00 0.00 -1.15 0.00 0.00 33.47 29.94 3cfk s TRP 148 CO 0.05 0.58 -0.07 0.15 0.02 0.00 0.00 176.95 177.68 3cfk s LYS 149 N -0.74 0.75 -0.14 4.98 1.02 -0.61 -0.49 119.74 124.51 3cfk s LYS 149 Ca 0.20 -0.24 0.01 0.00 0.02 0.00 0.00 55.97 55.97 3cfk s LYS 149 Cb -0.15 -0.72 0.02 0.00 -0.52 0.00 0.00 37.83 36.46 3cfk s LYS 149 CO 0.09 0.09 -0.16 0.08 -0.92 0.00 0.00 175.35 174.53 3cfk s VAL 150 N 0.19 1.70 -1.68 3.17 1.01 -0.53 -1.21 120.40 123.05 3cfk s VAL 150 Ca -0.02 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 3cfk s VAL 150 Cb -0.07 -1.56 0.12 0.00 0.00 0.00 0.00 36.38 34.87 3cfk s VAL 150 CO 0.00 0.48 0.51 0.47 0.00 0.00 0.00 175.10 176.56 3cfk n ASP 151 N 4.53 -1.50 0.00 3.32 8.00 -0.09 -1.07 116.55 129.74 3cfk n ASP 151 Ca -0.18 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.18 3cfk n ASP 151 Cb 0.50 -2.23 0.00 0.00 -0.02 0.00 0.00 41.12 39.38 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 -2.70 -1.29 -4.74 -2.24 5.03 -1.26 -5.01 115.26 103.04 3cfk n ASN 152 Ca -0.06 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.02 3cfk n ASN 152 Cb 0.55 -0.93 -0.06 0.00 -1.02 0.00 0.00 39.78 38.32 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 -2.66 3.53 -0.02 5.41 0.00 -0.23 -5.02 121.76 122.77 3cfk s ALA 153 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 3cfk s ALA 153 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 3cfk s ALA 153 CO 0.00 0.08 1.40 -1.17 0.00 0.00 0.00 175.76 176.07 3cfk s LEU 154 N 0.39 4.30 0.34 0.00 2.96 -1.26 -1.45 118.68 123.95 3cfk s LEU 154 Ca 0.23 2.07 -0.18 0.00 -0.22 0.00 0.00 54.13 56.03 3cfk s LEU 154 Cb -0.15 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 3cfk s LEU 154 CO 0.09 -0.73 0.80 -1.10 -1.32 0.00 0.00 176.35 174.09 3cfk s GLN 155 N 2.63 4.13 -0.05 1.98 -1.52 0.36 -4.96 119.66 122.22 3cfk s GLN 155 Ca 0.63 0.85 -0.02 0.00 -1.95 0.00 0.00 55.36 54.87 3cfk s GLN 155 Cb -0.30 -2.45 0.03 0.00 -0.22 0.00 0.00 33.01 30.07 3cfk s GLN 155 CO 0.25 0.15 0.12 0.45 -0.25 0.00 0.00 175.29 176.01 3cfk s SER 156 N -2.12 -0.07 -1.86 5.90 0.15 -1.26 -4.70 113.70 109.74 3cfk s SER 156 Ca 0.54 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.43 3cfk s SER 156 Cb -0.11 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 3cfk s SER 156 CO 0.17 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.09 3cfk n GLY 157 N 4.11 0.26 1.44 9.45 0.00 -1.26 -4.84 105.19 114.35 3cfk n GLY 157 Ca -0.26 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.78 1.42 -4.06 1.61 6.94 -1.26 -5.07 115.26 113.06 3cfk n ASN 158 Ca -0.23 -2.56 -0.11 0.00 -0.02 0.00 0.00 54.58 51.66 3cfk n ASN 158 Cb 0.68 -0.38 -0.11 0.00 -2.36 0.00 0.00 39.78 37.61 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 -2.58 0.71 0.14 0.53 1.04 -1.26 -2.14 113.70 110.15 3cfk s SER 159 Ca 0.35 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 56.20 3cfk s SER 159 Cb 0.38 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 3cfk s SER 159 CO -0.12 -0.28 -0.08 -1.10 0.98 0.00 0.00 173.24 172.63 3cfk s GLN 160 N -1.97 1.02 0.02 4.02 -0.21 -0.57 -4.97 119.66 117.00 3cfk s GLN 160 Ca -0.08 -1.44 -0.05 0.00 0.02 0.00 0.00 55.36 53.81 3cfk s GLN 160 Cb -0.07 -0.51 -0.01 0.00 1.00 0.00 0.00 33.01 33.42 3cfk s GLN 160 CO -0.01 0.04 0.08 -2.00 -2.12 0.00 0.00 175.29 171.28 3cfk s GLU 161 N -3.78 0.48 -0.25 2.91 2.12 -1.26 -0.76 118.70 118.16 3cfk s GLU 161 Ca 0.16 -0.57 -0.21 0.00 0.36 0.00 0.00 54.97 54.71 3cfk s GLU 161 Cb 0.03 0.19 0.07 0.00 0.26 0.00 0.00 34.13 34.68 3cfk s GLU 161 CO -0.00 -0.11 0.65 0.45 -0.54 0.00 0.00 175.26 175.71 3cfk s SER 162 N -1.66 -0.72 0.04 -1.70 0.15 -0.60 -5.00 113.70 104.20 3cfk s SER 162 Ca -0.12 1.34 0.06 0.00 0.70 0.00 0.00 55.95 57.93 3cfk s SER 162 Cb -0.06 1.32 -0.02 0.00 -1.71 0.00 0.00 66.02 65.55 3cfk s SER 162 CO -0.01 -0.23 -0.17 0.54 1.20 0.00 0.00 173.24 174.58 3cfk s VAL 163 N 0.64 1.32 0.73 4.45 0.11 -1.26 -0.81 120.40 125.57 3cfk s VAL 163 Ca -0.02 -1.07 -0.10 0.00 -2.93 0.00 0.00 61.98 57.86 3cfk s VAL 163 Cb -0.05 -1.17 0.04 0.00 -1.53 0.00 0.00 36.38 33.67 3cfk s VAL 163 CO -0.04 0.08 1.09 0.42 -3.33 0.00 0.00 175.10 173.32 3cfk s THR 164 N -0.82 2.80 0.72 5.04 -4.23 -0.08 -5.01 115.64 114.06 3cfk s THR 164 Ca 0.04 0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 3cfk s THR 164 Cb -0.08 -3.23 0.02 0.00 1.34 0.00 0.00 72.50 70.55 3cfk s THR 164 CO 0.01 -0.29 1.07 -1.61 -0.54 0.00 0.00 174.62 173.27 3cfk s GLU 165 N -5.37 2.75 0.24 3.99 2.02 -1.26 -4.66 118.70 116.42 3cfk s GLU 165 Ca 0.59 0.77 -0.31 0.00 0.02 0.00 0.00 54.97 56.04 3cfk s GLU 165 Cb -0.11 -1.98 -0.12 0.00 0.10 0.00 0.00 34.13 32.02 3cfk s GLU 165 CO 0.49 -1.18 1.65 0.94 0.02 0.00 0.00 175.26 177.18 3cfk n GLN 166 N -3.16 2.68 -2.04 1.61 7.27 -1.26 -4.79 117.38 117.69 3cfk n GLN 166 Ca 0.07 0.96 -0.41 0.00 0.07 0.00 0.00 57.00 57.69 3cfk n GLN 166 Cb 0.55 -2.77 -0.02 0.00 2.41 0.00 0.00 30.24 30.40 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 0.84 6.69 0.00 1.69 -1.08 0.24 -4.90 116.67 120.15 3cfk s ASP 167 Ca 0.71 2.61 0.19 0.00 -0.52 0.00 0.00 52.55 55.53 3cfk s ASP 167 Cb -0.52 -2.62 0.83 0.00 -1.46 0.00 0.00 42.92 39.16 3cfk s ASP 167 CO 0.40 -0.68 1.60 -1.54 0.52 0.00 0.00 175.17 175.47 3cfk n SER 168 N 2.56 0.00 -0.04 -0.34 3.41 -1.26 -1.74 113.62 116.20 3cfk n SER 168 Ca 0.07 0.41 -0.07 0.00 -0.26 0.00 0.00 58.87 59.02 3cfk n SER 168 Cb 0.41 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.46 0.34 0.00 4.33 5.02 -1.26 -3.95 118.16 121.18 3cfk n LYS 169 Ca 0.05 0.14 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 3cfk n LYS 169 Cb 0.21 -1.10 0.25 0.00 -0.02 0.00 0.00 35.03 34.37 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 -4.09 1.51 -1.53 4.39 5.68 -1.26 -4.97 116.55 116.28 3cfk n ASP 170 Ca -0.11 -1.21 -0.16 0.00 -0.50 0.00 0.00 54.79 52.80 3cfk n ASP 170 Cb 0.36 0.23 -0.04 0.00 -1.14 0.00 0.00 41.12 40.53 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 -0.26 -4.95 -4.93 -1.12 7.64 -0.71 -4.99 113.62 104.30 3cfk n SER 171 Ca 0.12 0.23 -0.20 0.00 1.01 0.00 0.00 58.87 60.02 3cfk n SER 171 Cb 0.40 -3.96 -0.02 0.00 -1.01 0.00 0.00 64.21 59.62 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 -2.70 3.88 0.25 0.44 -4.23 -1.26 -4.66 115.64 107.36 3cfk s THR 172 Ca 0.00 -1.17 0.09 0.00 -1.18 0.00 0.00 61.69 59.43 3cfk s THR 172 Cb 0.00 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 3cfk s THR 172 CO 0.00 -0.17 0.00 -0.31 -0.54 0.00 0.00 174.62 173.60 3cfk s TYR 173 N -2.23 2.74 0.07 3.99 2.02 0.39 -0.59 117.35 123.74 3cfk s TYR 173 Ca 0.43 -0.20 0.04 0.00 -0.37 0.00 0.00 57.07 56.96 3cfk s TYR 173 Cb -0.08 -1.23 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 3cfk s TYR 173 CO 0.29 0.60 -0.11 -1.12 -1.57 0.00 0.00 175.55 173.63 3cfk s SER 174 N -3.55 1.41 0.00 2.29 0.01 -1.26 -1.01 113.70 111.58 3cfk s SER 174 Ca 0.31 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.92 3cfk s SER 174 Cb -0.07 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 3cfk s SER 174 CO 0.20 -0.17 -0.04 -0.22 0.41 0.00 0.00 173.24 173.42 3cfk s LEU 175 N -1.92 2.05 -0.06 2.44 0.20 0.58 -0.90 118.68 121.07 3cfk s LEU 175 Ca -0.02 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 54.68 3cfk s LEU 175 Cb -0.08 -0.18 0.00 0.00 -0.43 0.00 0.00 46.19 45.50 3cfk s LEU 175 CO 0.01 -0.01 -0.16 -0.55 -0.29 0.00 0.00 176.35 175.36 3cfk s SER 176 N -0.37 2.07 -0.02 3.68 0.15 0.01 -0.82 113.70 118.40 3cfk s SER 176 Ca -0.01 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.34 3cfk s SER 176 Cb -0.03 -0.79 -0.01 0.00 -1.71 0.00 0.00 66.02 63.48 3cfk s SER 176 CO -0.00 0.10 -0.17 -0.55 1.20 0.00 0.00 173.24 173.82 3cfk s SER 177 N 0.35 2.03 -0.10 5.45 0.15 -0.24 -1.56 113.70 119.78 3cfk s SER 177 Ca -0.10 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.26 3cfk s SER 177 Cb -0.14 -0.32 -0.00 0.00 -1.71 0.00 0.00 66.02 63.85 3cfk s SER 177 CO 0.04 0.19 -0.22 -0.89 1.20 0.00 0.00 173.24 173.56 3cfk s THR 178 N -0.28 2.23 -0.22 6.45 2.01 0.06 -0.38 115.64 125.50 3cfk s THR 178 Ca 0.04 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 3cfk s THR 178 Cb -0.08 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 3cfk s THR 178 CO 0.00 0.55 0.07 -0.22 -0.69 0.00 0.00 174.62 174.33 3cfk s LEU 179 N 0.32 3.61 -0.17 4.42 2.96 0.15 -1.52 118.68 128.46 3cfk s LEU 179 Ca -0.17 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 3cfk s LEU 179 Cb -0.17 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 3cfk s LEU 179 CO 0.08 0.06 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.21 3cfk s THR 180 N 1.07 3.42 0.15 3.68 2.01 -0.91 -0.79 115.64 124.27 3cfk s THR 180 Ca 0.04 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.53 3cfk s THR 180 Cb -0.14 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 3cfk s THR 180 CO 0.03 0.47 0.04 -1.48 -0.69 0.00 0.00 174.62 173.00 3cfk s LEU 181 N 0.82 1.87 0.69 4.42 2.34 -0.83 -4.88 118.68 123.11 3cfk s LEU 181 Ca -0.02 -1.21 -0.13 0.00 0.06 0.00 0.00 54.13 52.84 3cfk s LEU 181 Cb -0.15 0.18 0.01 0.00 -0.56 0.00 0.00 46.19 45.68 3cfk s LEU 181 CO 0.01 -0.68 1.08 -0.94 -1.06 0.00 0.00 176.35 174.76 3cfk s SER 182 N -3.10 5.14 0.14 1.48 1.04 -1.26 -1.38 113.70 115.75 3cfk s SER 182 Ca 0.25 1.80 -0.19 0.00 0.48 0.00 0.00 55.95 58.29 3cfk s SER 182 Cb 0.07 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.67 3cfk s SER 182 CO 0.03 -1.61 1.70 0.50 0.98 0.00 0.00 173.24 174.84 3cfk h LYS 183 N -0.45 0.03 -0.78 4.02 3.64 -1.60 0.10 116.57 121.53 3cfk h LYS 183 Ca -0.45 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.02 3cfk h LYS 183 Cb 1.23 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 3cfk h LYS 183 CO 0.55 0.02 0.43 0.00 -2.27 0.00 0.00 179.45 178.18 3cfk h ALA 184 N 1.23 1.09 -0.26 5.00 0.00 -1.93 -0.09 119.26 124.31 3cfk h ALA 184 Ca 0.12 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3cfk h ALA 184 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3cfk h ALA 184 CO -0.23 0.07 -0.45 -0.44 0.00 0.00 0.00 179.25 178.19 3cfk h ASP 185 N 0.74 0.71 -0.34 0.00 3.32 -1.82 -2.95 116.42 116.08 3cfk h ASP 185 Ca 0.37 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3cfk h ASP 185 Cb 0.33 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3cfk h ASP 185 CO -0.24 1.05 0.17 0.22 -1.72 0.00 0.00 179.24 178.73 3cfk h TYR 186 N 0.53 0.51 0.00 4.55 3.20 0.39 -2.45 116.97 123.69 3cfk h TYR 186 Ca 0.03 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3cfk h TYR 186 Cb 0.99 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.09 3cfk h TYR 186 CO 0.05 0.39 0.00 0.39 -1.64 0.00 0.00 178.16 177.34 3cfk n GLU 187 N -4.41 0.08 0.00 1.82 -0.58 -0.16 -3.40 120.64 113.99 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 0.12 -1.62 0.37 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.77 0.38 -4.18 3.49 5.02 -0.92 -4.92 118.16 115.26 3cfk n LYS 188 Ca 0.05 -0.20 -0.18 0.00 -2.02 0.00 0.00 58.31 55.96 3cfk n LYS 188 Cb 0.31 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.70 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 -2.76 1.12 -0.20 2.13 3.76 -1.22 -5.08 115.29 113.05 3cfk s HIS 189 Ca 0.18 -0.44 -0.16 0.00 -0.15 0.00 0.00 55.06 54.49 3cfk s HIS 189 Cb 0.19 -0.64 -0.10 0.00 1.11 0.00 0.00 32.58 33.14 3cfk s HIS 189 CO 0.59 0.03 -0.19 1.17 -0.85 0.00 0.00 174.74 175.49 3cfk n LYS 190 N 1.42 0.53 -3.62 1.40 4.81 -1.26 -4.74 118.16 116.71 3cfk n LYS 190 Ca -0.21 0.38 -0.38 0.00 -0.87 0.00 0.00 58.31 57.23 3cfk n LYS 190 Cb 0.54 -1.58 -0.11 0.00 0.02 0.00 0.00 35.03 33.91 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 5.22 -0.21 3.15 1.01 -1.26 -0.86 120.40 124.91 3cfk s VAL 191 Ca -0.28 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 3cfk s VAL 191 Cb 0.07 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.98 3cfk s VAL 191 CO 0.43 0.28 -0.11 -0.31 0.00 0.00 0.00 175.10 175.39 3cfk s TYR 192 N 1.61 2.90 0.04 5.22 1.51 -0.81 -0.91 117.35 126.90 3cfk s TYR 192 Ca 0.07 -1.28 0.07 0.00 -1.01 0.00 0.00 57.07 54.92 3cfk s TYR 192 Cb -0.15 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 3cfk s TYR 192 CO 0.09 -0.67 -0.19 0.00 -1.11 0.00 0.00 175.55 173.67 3cfk s ALA 193 N 1.39 1.64 -0.23 3.71 0.00 -0.35 -1.64 121.76 126.28 3cfk s ALA 193 Ca 0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 3cfk s ALA 193 Cb -0.14 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.67 3cfk s ALA 193 CO -0.07 0.36 -0.07 0.00 0.00 0.00 0.00 175.76 175.99 3cfk s GLU 195 N 1.37 3.32 -0.11 0.00 2.12 0.12 -1.35 118.70 124.17 3cfk s GLU 195 Ca 0.02 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.69 3cfk s GLU 195 Cb -0.16 -2.63 0.02 0.00 0.26 0.00 0.00 34.13 31.63 3cfk s GLU 195 CO -0.05 0.26 -0.10 0.08 -0.54 0.00 0.00 175.26 174.91 3cfk s VAL 196 N 0.23 1.19 -0.07 3.70 1.01 0.52 -0.32 120.40 126.65 3cfk s VAL 196 Ca -0.08 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3cfk s VAL 196 Cb -0.15 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3cfk s VAL 196 CO 0.05 0.39 -0.07 0.42 0.00 0.00 0.00 175.10 175.89 3cfk s THR 197 N 1.47 3.70 -0.01 3.92 -4.23 -0.48 -1.88 115.64 118.12 3cfk s THR 197 Ca 0.02 -0.48 -0.27 0.00 -1.18 0.00 0.00 61.69 59.78 3cfk s THR 197 Cb -0.13 -2.52 0.06 0.00 1.34 0.00 0.00 72.50 71.25 3cfk s THR 197 CO -0.07 0.59 0.60 -2.28 -0.54 0.00 0.00 174.62 172.93 3cfk s HIS 198 N -0.75 -0.56 0.44 3.99 2.46 -1.26 -1.40 115.29 118.22 3cfk s HIS 198 Ca 0.11 0.86 0.13 0.00 0.47 0.00 0.00 55.06 56.64 3cfk s HIS 198 Cb -0.11 0.37 1.04 0.00 -0.13 0.00 0.00 32.58 33.75 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 3.00 0.37 0.00 2.88 4.15 -1.93 -0.93 115.11 122.64 3cfk h GLN 199 Ca -0.28 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.11 3cfk h GLN 199 Cb 1.17 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3cfk h GLN 199 CO 0.39 0.24 0.00 0.41 -1.93 0.00 0.00 178.83 177.95 3cfk n GLY 200 N -1.52 -1.36 3.71 2.39 0.00 -1.26 -4.67 105.19 102.48 3cfk n GLY 200 Ca 0.07 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.24 4.05 0.01 0.99 1.43 -0.35 -4.61 118.68 115.95 3cfk s LEU 201 Ca 0.07 0.20 0.29 0.00 -1.03 0.00 0.00 54.13 53.66 3cfk s LEU 201 Cb 0.11 -2.02 1.18 0.00 0.03 0.00 0.00 46.19 45.48 3cfk s LEU 201 CO 0.44 0.22 1.89 -1.54 0.23 0.00 0.00 176.35 177.59 3cfk n SER 202 N 3.23 0.06 -3.49 2.29 3.41 -1.26 -4.66 113.62 113.20 3cfk n SER 202 Ca -0.17 0.45 -0.14 0.00 -0.26 0.00 0.00 58.87 58.75 3cfk n SER 202 Cb 0.53 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 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 -3.06 -0.56 0.55 4.04 1.04 -1.26 -5.15 113.70 109.30 3cfk s SER 203 Ca 0.14 0.37 -0.21 0.00 0.48 0.00 0.00 55.95 56.73 3cfk s SER 203 Cb 0.19 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.77 3cfk s SER 203 CO 0.54 -0.69 1.31 -2.84 0.98 0.00 0.00 173.24 172.54 3cfk s PRO 204 N -2.21 3.16 -0.16 4.02 0.02 -1.26 -4.97 135.00 133.60 3cfk s PRO 204 Ca -0.04 2.11 -0.08 0.00 0.02 0.00 0.00 61.00 63.01 3cfk s PRO 204 Cb -0.00 -2.21 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 3cfk s PRO 204 CO -0.00 -1.14 0.13 0.08 -0.33 0.00 0.00 177.00 175.74 3cfk s VAL 205 N -1.37 5.39 -0.09 3.83 1.01 -0.79 -4.91 120.40 123.47 3cfk s VAL 205 Ca 0.72 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.91 3cfk s VAL 205 Cb -0.37 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3cfk s VAL 205 CO 0.44 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.97 3cfk s THR 206 N -0.33 2.43 -0.03 3.92 2.01 -1.26 -0.35 115.64 122.02 3cfk s THR 206 Ca 0.11 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.27 3cfk s THR 206 Cb -0.12 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 3cfk s THR 206 CO 0.01 0.56 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.71 3cfk s LYS 207 N 0.06 2.27 0.18 4.92 -0.14 -0.45 -4.98 119.74 121.60 3cfk s LYS 207 Ca -0.08 -0.91 -0.10 0.00 -1.36 0.00 0.00 55.97 53.51 3cfk s LYS 207 Cb -0.15 -2.10 -0.00 0.00 -1.68 0.00 0.00 37.83 33.89 3cfk s LYS 207 CO 0.05 0.51 0.34 -1.54 -0.76 0.00 0.00 175.35 173.95 3cfk s SER 208 N -0.48 -0.02 0.06 2.83 1.04 -1.26 -0.60 113.70 115.28 3cfk s SER 208 Ca 0.06 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 55.62 3cfk s SER 208 Cb -0.11 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 3cfk s SER 208 CO 0.01 -0.94 0.06 0.72 0.98 0.00 0.00 173.24 174.07 3cfk s PHE 209 N -3.96 0.35 -0.25 5.02 -0.12 -0.65 -5.00 117.98 113.37 3cfk s PHE 209 Ca 0.17 -0.84 -0.09 0.00 -0.05 0.00 0.00 56.93 56.12 3cfk s PHE 209 Cb 0.02 -0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 3cfk s PHE 209 CO 0.01 -0.44 0.12 -0.80 -0.05 0.00 0.00 175.22 174.06 3cfk s ASN 210 N -2.83 5.66 0.09 1.98 0.01 -1.26 -1.93 114.94 116.66 3cfk s ASN 210 Ca 0.05 -0.05 -0.36 0.00 -0.71 0.00 0.00 52.86 51.79 3cfk s ASN 210 Cb 0.06 -2.03 -0.16 0.00 0.41 0.00 0.00 41.25 39.53 3cfk s ASN 210 CO -0.10 0.00 1.36 -1.14 -1.51 0.00 0.00 177.10 175.71 3cfk n ARG 211 N 4.69 1.24 -2.94 -0.60 0.63 -0.04 -1.81 116.66 117.83 3cfk n ARG 211 Ca -0.15 0.45 -0.16 0.00 -0.92 0.00 0.00 57.85 57.07 3cfk n ARG 211 Cb 0.52 -2.10 0.03 0.00 0.45 0.00 0.00 32.46 31.36 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 2.59 -0.11 0.00 5.14 0.00 -1.26 -4.99 105.19 106.57 3cfk n GLY 212 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3cfk n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50