#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 4.38 -0.15 -4.62 2.96 -1.26 -5.04 118.68 114.95 3cfk s LEU 2 Ca 0.00 2.42 0.01 0.00 -0.22 0.00 0.00 54.13 56.34 3cfk s LEU 2 Cb 0.00 -3.78 0.02 0.00 0.50 0.00 0.00 46.19 42.93 3cfk s LEU 2 CO 0.00 -0.45 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.72 3cfk s VAL 3 N -1.25 1.72 -0.19 1.68 1.01 -1.26 -5.02 120.40 117.09 3cfk s VAL 3 Ca 0.50 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3cfk s VAL 3 Cb -0.34 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 3cfk s VAL 3 CO 0.44 0.48 0.18 -0.69 0.00 0.00 0.00 175.10 175.51 3cfk s VAL 4 N 1.30 5.37 -0.03 2.92 1.01 -1.26 -2.37 120.40 127.34 3cfk s VAL 4 Ca 0.02 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.36 3cfk s VAL 4 Cb -0.13 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3cfk s VAL 4 CO -0.09 0.42 -0.18 -0.89 0.00 0.00 0.00 175.10 174.36 3cfk s THR 5 N 0.43 1.50 0.16 3.92 2.01 0.01 -3.84 115.64 119.83 3cfk s THR 5 Ca 0.11 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.39 3cfk s THR 5 Cb -0.12 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 3cfk s THR 5 CO 0.00 0.43 -0.13 -1.10 -0.69 0.00 0.00 174.62 173.13 3cfk s GLN 6 N -0.15 1.15 0.41 4.92 -0.21 -1.26 -1.37 119.66 123.16 3cfk s GLN 6 Ca 0.00 -1.46 -0.27 0.00 0.02 0.00 0.00 55.36 53.66 3cfk s GLN 6 Cb -0.10 -0.86 -0.10 0.00 1.00 0.00 0.00 33.01 32.95 3cfk s GLN 6 CO 0.01 0.14 1.46 0.39 -2.12 0.00 0.00 175.29 175.17 3cfk n GLU 7 N -0.12 2.48 -0.11 2.91 4.71 -1.26 -4.85 120.64 124.40 3cfk n GLU 7 Ca -0.10 0.88 -0.11 0.00 -0.01 0.00 0.00 57.16 57.81 3cfk n GLU 7 Cb 0.60 -2.65 -0.03 0.00 -1.01 0.00 0.00 31.44 28.35 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 2.64 0.57 -4.30 1.62 0.02 -1.96 -3.33 113.55 108.80 3cfk h SER 8 Ca -0.51 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.04 3cfk h SER 8 Cb 1.25 -0.15 -0.22 0.00 0.14 0.00 0.00 62.40 63.42 3cfk h SER 8 CO 0.63 0.73 -0.12 0.00 -1.14 0.00 0.00 176.83 176.92 3cfk s ALA 9 N -5.02 -1.20 0.05 3.77 0.00 -1.26 -1.85 121.76 116.25 3cfk s ALA 9 Ca -0.13 1.14 0.03 0.00 0.00 0.00 0.00 51.96 52.99 3cfk s ALA 9 Cb 0.09 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 3cfk s ALA 9 CO 0.77 -0.26 -0.09 -0.51 0.00 0.00 0.00 175.76 175.68 3cfk s LEU 11 N -0.30 2.27 -0.04 0.00 1.43 -0.16 -4.94 118.68 116.94 3cfk s LEU 11 Ca -0.05 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.54 3cfk s LEU 11 Cb -0.03 -0.20 -0.01 0.00 0.03 0.00 0.00 46.19 45.97 3cfk s LEU 11 CO 0.03 -0.20 -0.24 -0.89 0.23 0.00 0.00 176.35 175.29 3cfk s THR 12 N -1.45 1.91 0.02 5.49 2.01 -1.26 -0.59 115.64 121.77 3cfk s THR 12 Ca -0.08 -1.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.83 3cfk s THR 12 Cb -0.09 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.81 3cfk s THR 12 CO 0.00 0.54 0.18 0.28 -0.69 0.00 0.00 174.62 174.93 3cfk s THR 13 N -0.25 0.09 0.38 -0.82 -1.32 -0.77 -4.98 115.64 107.97 3cfk s THR 13 Ca 0.00 -0.78 -0.04 0.00 -1.21 0.00 0.00 61.69 59.67 3cfk s THR 13 Cb -0.12 -0.69 -0.04 0.00 -1.51 0.00 0.00 72.50 70.14 3cfk s THR 13 CO 0.02 -0.43 0.65 -0.44 -2.21 0.00 0.00 174.62 172.21 3cfk s SER 14 N -1.72 6.34 0.37 8.08 0.01 -1.26 -0.73 113.70 124.79 3cfk s SER 14 Ca -0.10 0.74 -0.28 0.00 1.31 0.00 0.00 55.95 57.62 3cfk s SER 14 Cb -0.04 -2.16 -0.11 0.00 0.21 0.00 0.00 66.02 63.92 3cfk s SER 14 CO -0.01 -0.37 1.49 -2.65 0.41 0.00 0.00 173.24 172.11 3cfk n PRO 15 N -1.68 2.66 0.00 12.44 -0.02 -1.26 -2.09 135.00 145.05 3cfk n PRO 15 Ca -0.02 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3cfk n PRO 15 Cb 0.55 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3cfk n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfk n GLY 16 N 0.62 2.82 3.88 -1.23 0.00 -0.01 -4.90 105.19 106.37 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 -0.33 3.35 -0.15 1.61 2.02 -0.89 -4.05 118.70 120.27 3cfk s GLU 17 Ca 0.00 0.64 -0.09 0.00 0.02 0.00 0.00 54.97 55.54 3cfk s GLU 17 Cb 0.00 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 3cfk s GLU 17 CO 0.00 -0.72 0.17 0.99 0.02 0.00 0.00 175.26 175.72 3cfk s THR 18 N -3.23 5.42 0.00 3.63 2.01 -1.26 -1.14 115.64 121.07 3cfk s THR 18 Ca 0.56 0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.87 3cfk s THR 18 Cb -0.11 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 3cfk s THR 18 CO 0.53 0.53 -0.09 0.54 -0.69 0.00 0.00 174.62 175.43 3cfk s VAL 19 N -0.37 0.73 -0.15 3.82 0.11 -0.71 -4.98 120.40 118.84 3cfk s VAL 19 Ca 0.13 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.66 3cfk s VAL 19 Cb -0.12 -0.64 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 3cfk s VAL 19 CO 0.02 0.11 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.86 3cfk s THR 20 N -0.41 1.68 -0.10 5.04 2.01 -1.26 -0.30 115.64 122.30 3cfk s THR 20 Ca 0.02 -0.70 -0.12 0.00 0.31 0.00 0.00 61.69 61.20 3cfk s THR 20 Cb -0.05 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 3cfk s THR 20 CO -0.00 0.48 0.27 -0.76 -0.69 0.00 0.00 174.62 173.92 3cfk s LEU 21 N 1.43 4.36 0.33 4.42 1.02 0.12 -4.94 118.68 125.42 3cfk s LEU 21 Ca 0.05 0.62 0.09 0.00 0.02 0.00 0.00 54.13 54.91 3cfk s LEU 21 Cb -0.13 -2.32 -0.05 0.00 0.02 0.00 0.00 46.19 43.71 3cfk s LEU 21 CO -0.11 0.28 0.01 0.42 0.02 0.00 0.00 176.35 176.97 3cfk s THR 22 N -0.52 2.68 -0.19 5.49 -4.23 -1.26 -0.29 115.64 117.33 3cfk s THR 22 Ca 0.18 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 58.67 3cfk s THR 22 Cb -0.14 -2.79 0.09 0.00 1.34 0.00 0.00 72.50 71.01 3cfk s THR 22 CO 0.07 -0.22 0.26 0.00 -0.54 0.00 0.00 174.62 174.19 3cfk s ARG 24 N 2.40 1.74 0.11 0.00 1.70 -0.47 -1.31 118.95 123.11 3cfk s ARG 24 Ca 0.06 -1.86 0.08 0.00 -0.47 0.00 0.00 55.73 53.55 3cfk s ARG 24 Cb -0.15 -1.68 -0.04 0.00 -0.57 0.00 0.00 34.95 32.51 3cfk s ARG 24 CO -0.12 0.21 -0.21 0.45 -1.08 0.00 0.00 175.30 174.55 3cfk s SER 25 N -3.56 2.61 0.00 -2.89 0.15 -1.26 -0.81 113.70 107.95 3cfk s SER 25 Ca 0.31 -0.69 0.26 0.00 0.70 0.00 0.00 55.95 56.52 3cfk s SER 25 Cb -0.00 -0.15 0.63 0.00 -1.71 0.00 0.00 66.02 64.79 3cfk s SER 25 CO 0.15 0.07 1.50 -1.54 1.20 0.00 0.00 173.24 174.62 3cfk n SER 26 N 1.06 0.62 0.18 5.45 3.41 -1.00 -3.65 113.62 119.69 3cfk n SER 26 Ca -0.19 -0.40 0.13 0.00 -0.26 0.00 0.00 58.87 58.14 3cfk n SER 26 Cb 0.53 0.17 0.29 0.00 -0.26 0.00 0.00 64.21 64.95 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 0.35 0.00 0.00 4.04 0.02 -1.96 -3.49 113.55 112.51 3cfk h SER 27 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 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 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3cfk n GLY 27 N 1.07 0.78 3.72 -3.77 0.00 -1.24 -5.09 105.19 100.66 3cfk n GLY 27 Ca 0.04 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 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 1.83 -2.41 4.61 0.00 -1.26 -4.31 120.51 117.96 3cfk n ALA 27 Ca 0.00 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 3cfk n ALA 27 Cb 0.00 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.07 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 -0.50 4.13 0.32 0.00 1.01 0.91 -5.00 120.40 121.27 3cfk s VAL 27 Ca 0.61 1.48 0.08 0.00 0.00 0.00 0.00 61.98 64.15 3cfk s VAL 27 Cb -0.55 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 31.82 3cfk s VAL 27 CO 0.55 0.01 -0.07 0.28 0.00 0.00 0.00 175.10 175.87 3cfk s THR 28 N 2.12 1.97 0.45 3.92 -1.32 -1.26 -4.68 115.64 116.83 3cfk s THR 28 Ca 0.58 -2.16 0.27 0.00 -1.21 0.00 0.00 61.69 59.17 3cfk s THR 28 Cb -0.26 -2.60 0.47 0.00 -1.51 0.00 0.00 72.50 68.60 3cfk s THR 28 CO 0.24 -0.22 1.72 0.74 -2.21 0.00 0.00 174.62 174.89 3cfk h THR 29 N 2.10 0.34 0.00 5.08 2.02 -1.99 0.32 112.91 120.79 3cfk h THR 29 Ca -0.41 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3cfk h THR 29 Cb 1.24 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3cfk h THR 29 CO 0.70 0.04 0.00 -1.20 0.37 0.00 0.00 175.52 175.42 3cfk n SER 30 N -4.52 0.46 0.01 4.18 7.64 -1.26 -1.76 113.62 118.37 3cfk n SER 30 Ca 0.30 0.65 0.13 0.00 1.01 0.00 0.00 58.87 60.96 3cfk n SER 30 Cb 1.19 -0.73 0.46 0.00 -1.01 0.00 0.00 64.21 64.12 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 -2.05 0.26 -4.01 6.43 5.03 0.10 -4.84 115.26 116.18 3cfk n ASN 31 Ca 0.01 0.25 -0.35 0.00 0.87 0.00 0.00 54.58 55.37 3cfk n ASN 31 Cb 0.14 -0.26 -0.01 0.00 -1.02 0.00 0.00 39.78 38.64 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 -1.59 -1.54 -1.64 3.10 4.01 -0.72 -0.25 117.16 118.52 3cfk n TYR 32 Ca 0.06 0.44 -0.47 0.00 -0.16 0.00 0.00 57.90 57.77 3cfk n TYR 32 Cb 0.35 -3.17 -0.04 0.00 -0.31 0.00 0.00 39.34 36.17 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 -4.60 0.51 -2.45 -0.72 0.00 -1.26 -4.30 120.51 107.68 3cfk n ALA 33 Ca -0.21 0.45 -0.27 0.00 0.00 0.00 0.00 53.44 53.42 3cfk n ALA 33 Cb 0.63 -2.22 -0.13 0.00 0.00 0.00 0.00 19.45 17.72 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 0.33 1.95 -0.02 0.00 2.01 -0.75 -1.44 115.64 117.73 3cfk s THR 34 Ca 0.75 -1.52 0.08 0.00 0.31 0.00 0.00 61.69 61.31 3cfk s THR 34 Cb -0.75 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 3cfk s THR 34 CO 0.46 0.11 -0.24 0.26 -0.69 0.00 0.00 174.62 174.51 3cfk s TRP 35 N -1.00 2.17 -0.02 4.92 0.52 -0.61 -1.38 118.94 123.54 3cfk s TRP 35 Ca 0.10 -0.41 0.07 0.00 0.02 0.00 0.00 56.10 55.88 3cfk s TRP 35 Cb -0.10 -1.39 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 3cfk s TRP 35 CO 0.04 -0.03 -0.22 0.08 0.02 0.00 0.00 176.95 176.84 3cfk s VAL 36 N -0.58 1.71 -0.13 4.03 1.01 0.16 -0.83 120.40 125.76 3cfk s VAL 36 Ca 0.09 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 3cfk s VAL 36 Cb -0.09 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3cfk s VAL 36 CO -0.01 0.48 0.03 -1.58 0.00 0.00 0.00 175.10 174.03 3cfk s GLN 37 N -0.49 3.48 -0.15 2.72 0.74 0.67 -1.27 119.66 125.36 3cfk s GLN 37 Ca 0.08 -0.37 0.01 0.00 0.05 0.00 0.00 55.36 55.12 3cfk s GLN 37 Cb -0.08 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 31.03 3cfk s GLN 37 CO -0.01 0.49 -0.17 -2.00 -0.55 0.00 0.00 175.29 173.06 3cfk s GLU 38 N -0.28 3.17 0.26 1.67 2.12 0.25 -0.98 118.70 124.92 3cfk s GLU 38 Ca 0.07 -0.78 0.11 0.00 0.36 0.00 0.00 54.97 54.73 3cfk s GLU 38 Cb -0.12 -2.57 -0.05 0.00 0.26 0.00 0.00 34.13 31.65 3cfk s GLU 38 CO 0.02 0.02 -0.10 0.15 -0.54 0.00 0.00 175.26 174.81 3cfk s LYS 39 N 0.78 1.98 0.49 4.30 1.02 -0.24 -1.64 119.74 126.44 3cfk s LYS 39 Ca -0.06 -1.57 -0.19 0.00 0.02 0.00 0.00 55.97 54.17 3cfk s LYS 39 Cb -0.15 -1.98 -0.14 0.00 -0.52 0.00 0.00 37.83 35.04 3cfk s LYS 39 CO 0.00 0.35 0.05 -2.30 -0.92 0.00 0.00 175.35 172.53 3cfk n PRO 40 N -0.68 0.11 -1.45 -1.68 -0.02 -1.26 -1.40 135.00 128.63 3cfk n PRO 40 Ca -0.06 0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.37 3cfk n PRO 40 Cb 0.59 -1.14 -0.03 0.00 -0.02 0.00 0.00 33.50 32.90 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 -3.93 -3.64 2.55 8.00 -1.26 -3.97 116.55 116.38 3cfk n ASP 41 Ca 0.09 0.18 -0.27 0.00 0.71 0.00 0.00 54.79 55.50 3cfk n ASP 41 Cb 0.46 -2.43 0.04 0.00 -0.02 0.00 0.00 41.12 39.17 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 -2.98 -1.98 -3.73 1.24 8.25 -0.97 -4.96 115.22 110.09 3cfk n HIS 42 Ca -0.10 0.59 -0.37 0.00 -0.26 0.00 0.00 57.72 57.58 3cfk n HIS 42 Cb 0.36 -3.70 -0.12 0.00 1.12 0.00 0.00 29.99 27.65 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 -6.37 3.83 -0.04 2.41 1.43 -0.49 -4.94 118.68 114.51 3cfk s LEU 43 Ca 0.37 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3cfk s LEU 43 Cb -0.12 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3cfk s LEU 43 CO 0.84 -0.16 0.01 -0.36 0.23 0.00 0.00 176.35 176.90 3cfk s PHE 44 N 1.56 3.13 -0.05 0.29 0.40 -1.26 -1.08 117.98 120.97 3cfk s PHE 44 Ca 0.04 0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.50 3cfk s PHE 44 Cb -0.17 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.66 3cfk s PHE 44 CO 0.04 0.47 0.03 0.99 0.70 0.00 0.00 175.22 177.45 3cfk s THR 45 N -0.99 0.08 0.00 0.64 2.01 -0.15 -4.97 115.64 112.26 3cfk s THR 45 Ca 0.17 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 3cfk s THR 45 Cb -0.11 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 3cfk s THR 45 CO 0.07 0.19 1.36 -0.83 -0.69 0.00 0.00 174.62 174.72 3cfk s GLY 46 N 1.88 1.92 -0.23 4.40 0.00 -1.26 -0.24 107.32 113.79 3cfk s GLY 46 Ca 0.02 0.86 -0.13 0.00 0.00 0.00 0.00 44.72 45.47 3cfk s GLY 46 CO -0.03 2.44 -0.31 1.04 0.00 0.00 0.00 173.10 176.23 3cfk n LEU 47 N 5.21 1.72 -4.02 0.66 4.77 -0.01 -4.76 117.00 120.57 3cfk n LEU 47 Ca 0.13 0.30 -0.20 0.00 -0.03 0.00 0.00 56.01 56.21 3cfk n LEU 47 Cb 0.44 -0.71 -0.15 0.00 -2.33 0.00 0.00 43.42 40.67 3cfk n LEU 47 CO 0.58 0.39 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.96 3cfk s ILE 48 N -2.49 0.76 0.23 -0.08 -1.09 -1.18 -1.63 121.20 115.73 3cfk s ILE 48 Ca -0.33 -0.38 0.07 0.00 -2.23 0.00 0.00 60.65 57.78 3cfk s ILE 48 Cb 0.12 -0.66 -0.05 0.00 -1.58 0.00 0.00 42.46 40.29 3cfk s ILE 48 CO 0.42 0.23 -0.11 -0.83 -1.23 0.00 0.00 174.94 173.42 3cfk s GLY 49 N -0.02 1.58 -1.50 6.18 0.00 0.57 -1.57 107.32 112.56 3cfk s GLY 49 Ca 0.00 -1.75 -0.10 0.00 0.00 0.00 0.00 44.72 42.87 3cfk s GLY 49 CO 0.00 -1.79 0.83 0.61 0.00 0.00 0.00 173.10 172.76 3cfk n GLY 50 N -0.46 -0.41 5.00 0.20 0.00 -1.17 -1.30 105.19 107.05 3cfk n GLY 50 Ca -0.07 0.17 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 -4.53 0.00 -2.00 2.61 -1.04 -0.52 -4.08 114.28 104.72 3cfk n THR 51 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3cfk n THR 51 Cb 0.57 0.00 0.00 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 2.40 0.00 -4.55 8.00 6.94 -1.19 -3.29 115.26 123.57 3cfk n ASN 52 Ca 0.00 -1.90 -0.40 0.00 -0.02 0.00 0.00 54.58 52.26 3cfk n ASN 52 Cb 0.00 -0.18 -0.10 0.00 -2.36 0.00 0.00 39.78 37.14 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 3.63 0.18 -3.83 3.01 -0.42 -4.68 119.74 117.64 3cfk s LYS 53 Ca 0.00 -0.51 -0.30 0.00 -1.01 0.00 0.00 55.97 54.15 3cfk s LYS 53 Cb 0.00 -3.77 -0.08 0.00 -1.01 0.00 0.00 37.83 32.98 3cfk s LYS 53 CO 0.00 -0.39 1.01 0.50 0.51 0.00 0.00 175.35 176.98 3cfk s ARG 54 N 1.79 4.71 0.50 1.68 3.52 -1.26 -0.32 118.95 129.57 3cfk s ARG 54 Ca 0.07 1.57 -0.19 0.00 -0.13 0.00 0.00 55.73 57.06 3cfk s ARG 54 Cb -0.17 -3.30 -0.08 0.00 -1.56 0.00 0.00 34.95 29.84 3cfk s ARG 54 CO 0.11 0.26 1.02 0.00 -0.81 0.00 0.00 175.30 175.88 3cfk s ALA 55 N -0.52 2.91 0.21 6.12 0.00 -0.64 -4.90 121.76 124.94 3cfk s ALA 55 Ca 0.46 0.45 -0.31 0.00 0.00 0.00 0.00 51.96 52.56 3cfk s ALA 55 Cb -0.27 -3.21 -0.15 0.00 0.00 0.00 0.00 23.12 19.50 3cfk s ALA 55 CO 0.33 -0.31 1.16 -2.30 0.00 0.00 0.00 175.76 174.64 3cfk n PRO 56 N -1.22 1.35 0.00 0.00 -0.02 -1.26 -1.75 135.00 132.11 3cfk n PRO 56 Ca 0.08 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3cfk n PRO 56 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.84 2.61 3.73 -1.23 0.00 -1.26 -5.02 105.19 105.86 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 -2.23 4.63 0.43 1.61 1.01 -0.71 -4.99 120.40 120.15 3cfk s VAL 58 Ca 0.00 2.02 -0.25 0.00 0.00 0.00 0.00 61.98 63.74 3cfk s VAL 58 Cb 0.00 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 3cfk s VAL 58 CO 0.00 0.28 1.30 -2.65 0.00 0.00 0.00 175.10 174.03 3cfk n PRO 59 N 3.09 1.98 0.21 2.72 -0.02 -1.26 -4.89 135.00 136.84 3cfk n PRO 59 Ca 0.03 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.28 3cfk n PRO 59 Cb 0.50 -2.43 0.55 0.00 -0.02 0.00 0.00 33.50 32.10 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 2.11 1.83 -1.70 3.55 0.00 -1.99 -2.36 119.26 120.70 3cfk h ALA 60 Ca -0.48 -0.07 0.53 0.00 0.00 0.00 0.00 54.91 54.88 3cfk h ALA 60 Cb 1.29 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 3cfk h ALA 60 CO 0.60 0.13 1.18 -2.13 0.00 0.00 0.00 179.25 179.03 3cfk n ARG 61 N -4.44 -0.02 -3.50 0.00 0.63 -1.26 -4.48 116.66 103.60 3cfk n ARG 61 Ca -0.02 1.15 -0.37 0.00 -0.92 0.00 0.00 57.85 57.68 3cfk n ARG 61 Cb 0.15 -2.46 -0.06 0.00 0.45 0.00 0.00 32.46 30.54 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 -5.01 3.61 0.08 -0.14 0.08 -0.89 -0.78 117.98 114.94 3cfk s PHE 62 Ca -0.06 0.84 -0.13 0.00 0.12 0.00 0.00 56.93 57.70 3cfk s PHE 62 Cb 0.28 -2.33 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 3cfk s PHE 62 CO 0.85 0.45 0.29 -1.54 -0.10 0.00 0.00 175.22 175.18 3cfk s SER 63 N -0.34 -0.08 0.10 1.36 1.04 -0.60 -4.95 113.70 110.23 3cfk s SER 63 Ca 0.22 -0.38 0.09 0.00 0.48 0.00 0.00 55.95 56.36 3cfk s SER 63 Cb -0.15 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3cfk s SER 63 CO 0.10 -0.72 -0.24 -0.83 0.98 0.00 0.00 173.24 172.52 3cfk s GLY 64 N -2.55 1.37 0.20 7.32 0.00 -1.26 -0.30 107.32 112.09 3cfk s GLY 64 Ca 0.01 -1.31 -0.08 0.00 0.00 0.00 0.00 44.72 43.33 3cfk s GLY 64 CO -0.09 -1.28 0.44 -1.14 0.00 0.00 0.00 173.10 171.04 3cfk n SER 65 N 1.19 -1.22 -4.60 1.64 3.41 -0.61 -4.18 113.62 109.25 3cfk n SER 65 Ca -0.18 -1.83 -0.34 0.00 -0.26 0.00 0.00 58.87 56.26 3cfk n SER 65 Cb 0.53 2.03 -0.11 0.00 -0.26 0.00 0.00 64.21 66.40 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 3.26 -0.26 1.04 1.43 -1.26 -0.72 118.68 122.17 3cfk s LEU 66 Ca 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3cfk s LEU 66 Cb -0.03 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.55 3cfk s LEU 66 CO 0.06 0.35 0.02 -0.63 0.23 0.00 0.00 176.35 176.38 3cfk s ILE 67 N -0.72 1.26 0.00 -0.59 1.01 0.27 -4.93 121.20 117.50 3cfk s ILE 67 Ca 0.11 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.47 3cfk s ILE 67 Cb -0.11 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.62 3cfk s ILE 67 CO 0.02 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.22 3cfk n GLY 68 N 4.74 2.57 0.23 6.18 0.00 -1.26 -1.02 105.19 116.62 3cfk n GLY 68 Ca -0.07 0.35 0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.10 1.61 3.32 -1.96 -3.45 116.42 113.84 3cfk h ASP 69 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3cfk h ASP 69 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 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 -4.11 2.61 0.28 3.56 0.52 -0.19 -0.07 118.95 121.55 3cfk s ARG 70 Ca -0.02 -1.28 -0.13 0.00 -0.52 0.00 0.00 55.73 53.78 3cfk s ARG 70 Cb 0.13 -2.36 -0.08 0.00 0.52 0.00 0.00 34.95 33.15 3cfk s ARG 70 CO 0.64 0.30 0.65 0.00 0.02 0.00 0.00 175.30 176.91 3cfk s ALA 71 N -2.26 3.44 -0.01 2.13 0.00 -0.43 -0.57 121.76 124.06 3cfk s ALA 71 Ca 0.34 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3cfk s ALA 71 Cb -0.06 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.44 3cfk s ALA 71 CO 0.23 0.41 -0.02 0.00 0.00 0.00 0.00 175.76 176.38 3cfk s ALA 72 N -1.90 0.25 -0.22 0.00 0.00 0.10 -0.50 121.76 119.49 3cfk s ALA 72 Ca 0.51 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 3cfk s ALA 72 Cb -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3cfk s ALA 72 CO 0.19 0.04 -0.02 -1.17 0.00 0.00 0.00 175.76 174.81 3cfk s LEU 73 N 0.07 3.04 -0.16 0.00 2.96 0.61 -1.57 118.68 123.63 3cfk s LEU 73 Ca -0.00 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 3cfk s LEU 73 Cb -0.03 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3cfk s LEU 73 CO -0.00 -0.01 0.03 -0.89 -1.32 0.00 0.00 176.35 174.15 3cfk s THR 74 N 1.43 4.49 -0.32 3.68 2.01 0.59 0.12 115.64 127.64 3cfk s THR 74 Ca 0.05 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 3cfk s THR 74 Cb -0.14 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.40 3cfk s THR 74 CO -0.01 0.50 0.09 -0.63 -0.69 0.00 0.00 174.62 173.88 3cfk s ILE 75 N 0.11 3.89 -0.57 1.82 1.01 0.59 -1.56 121.20 126.50 3cfk s ILE 75 Ca 0.03 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 3cfk s ILE 75 Cb -0.13 -3.10 0.10 0.00 0.01 0.00 0.00 42.46 39.35 3cfk s ILE 75 CO 0.01 -0.05 0.64 -0.89 0.00 0.00 0.00 174.94 174.65 3cfk s THR 76 N 1.45 4.93 0.00 2.92 2.01 0.04 -1.74 115.64 125.25 3cfk s THR 76 Ca 0.01 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.94 3cfk s THR 76 Cb -0.18 -4.43 0.00 0.00 0.01 0.00 0.00 72.50 67.90 3cfk s THR 76 CO 0.03 -1.02 0.00 0.61 -0.69 0.00 0.00 174.62 173.55 3cfk n GLY 77 N 5.26 0.83 3.66 4.40 0.00 -0.94 -4.74 105.19 113.65 3cfk n GLY 77 Ca -0.10 -0.53 -0.45 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.76 0.78 -2.73 4.61 0.00 -0.30 -4.40 120.51 117.70 3cfk n ALA 78 Ca 0.00 0.41 -0.26 0.00 0.00 0.00 0.00 53.44 53.59 3cfk n ALA 78 Cb 0.27 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 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 -0.66 2.65 0.48 0.00 -0.21 -1.26 -0.83 119.66 119.83 3cfk s GLN 79 Ca 0.67 -1.01 0.22 0.00 0.02 0.00 0.00 55.36 55.25 3cfk s GLN 79 Cb -0.67 -2.49 1.25 0.00 1.00 0.00 0.00 33.01 32.11 3cfk s GLN 79 CO 0.52 0.46 1.93 1.79 -2.12 0.00 0.00 175.29 177.87 3cfk h THR 80 N 2.20 0.71 0.00 -0.19 1.35 -1.95 0.23 112.91 115.25 3cfk h THR 80 Ca -0.47 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3cfk h THR 80 Cb 1.21 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3cfk h THR 80 CO 0.61 0.04 0.00 -1.84 -0.25 0.00 0.00 175.52 174.07 3cfk n GLU 81 N -4.41 0.13 0.00 4.72 0.00 -1.25 -2.71 120.64 117.12 3cfk n GLU 81 Ca 0.15 0.18 0.15 0.00 0.00 0.00 0.00 57.16 57.64 3cfk n GLU 81 Cb 0.67 -1.50 0.83 0.00 0.00 0.00 0.00 31.44 31.44 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 -1.37 0.36 -4.65 -1.84 8.00 0.81 -4.82 116.55 113.04 3cfk n ASP 82 Ca 0.06 -1.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 3cfk n ASP 82 Cb 0.15 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.05 3.95 -0.02 -1.24 2.02 -1.10 -4.82 118.70 115.43 3cfk s GLU 83 Ca 0.44 2.40 -0.30 0.00 0.02 0.00 0.00 54.97 57.53 3cfk s GLU 83 Cb 0.22 -4.17 0.11 0.00 0.10 0.00 0.00 34.13 30.39 3cfk s GLU 83 CO 0.37 -1.17 1.30 0.00 0.02 0.00 0.00 175.26 175.79 3cfk s ALA 84 N 5.13 -2.34 -0.19 5.21 0.00 -1.18 -4.90 121.76 123.49 3cfk s ALA 84 Ca 0.88 0.46 -0.09 0.00 0.00 0.00 0.00 51.96 53.21 3cfk s ALA 84 Cb -0.39 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 3cfk s ALA 84 CO 0.38 -1.09 0.10 0.42 0.00 0.00 0.00 175.76 175.57 3cfk s ILE 85 N -2.23 5.15 -0.19 0.00 1.01 -0.65 -0.61 121.20 123.68 3cfk s ILE 85 Ca 0.20 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 3cfk s ILE 85 Cb 0.03 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 3cfk s ILE 85 CO -0.03 0.46 -0.03 -0.31 0.00 0.00 0.00 174.94 175.03 3cfk s TYR 86 N 0.29 3.00 -0.11 3.97 1.51 -0.30 -0.58 117.35 125.13 3cfk s TYR 86 Ca 0.06 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.59 3cfk s TYR 86 Cb -0.12 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 3cfk s TYR 86 CO -0.01 -0.25 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.06 3cfk s PHE 87 N 0.90 2.96 0.17 2.71 0.08 -0.40 -0.90 117.98 123.50 3cfk s PHE 87 Ca 0.00 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 56.92 3cfk s PHE 87 Cb -0.14 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 3cfk s PHE 87 CO 0.01 0.13 0.23 0.00 -0.10 0.00 0.00 175.22 175.49 3cfk s ALA 89 N -1.80 -0.05 -0.03 0.00 0.00 -0.48 -0.28 121.76 119.12 3cfk s ALA 89 Ca 0.33 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.41 3cfk s ALA 89 Cb -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3cfk s ALA 89 CO 0.26 -0.02 -0.26 -0.51 0.00 0.00 0.00 175.76 175.24 3cfk s LEU 90 N -0.05 2.05 -0.40 0.00 1.43 -0.32 -1.80 118.68 119.60 3cfk s LEU 90 Ca -0.01 -0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 52.36 3cfk s LEU 90 Cb -0.01 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.89 3cfk s LEU 90 CO 0.00 0.30 0.92 0.26 0.23 0.00 0.00 176.35 178.06 3cfk s TRP 91 N -0.52 3.03 -0.38 0.29 0.51 0.65 -1.44 118.94 121.07 3cfk s TRP 91 Ca 0.07 0.63 -0.02 0.00 -2.12 0.00 0.00 56.10 54.67 3cfk s TRP 91 Cb -0.11 -3.75 0.10 0.00 -0.81 0.00 0.00 33.47 28.90 3cfk s TRP 91 CO -0.00 -0.91 0.15 1.21 -0.51 0.00 0.00 176.95 176.89 3cfk s ASN 92 N 2.01 5.14 1.49 2.95 3.04 -0.34 -4.29 114.94 124.93 3cfk s ASN 92 Ca 0.37 -1.93 0.00 0.00 0.04 0.00 0.00 52.86 51.35 3cfk s ASN 92 Cb -0.11 -1.78 0.00 0.00 -1.54 0.00 0.00 41.25 37.81 3cfk s ASN 92 CO 0.21 -0.48 0.00 -1.20 -3.04 0.00 0.00 177.10 172.60 3cfk n SER 93 N 4.55 0.00 -0.11 -4.21 7.64 -1.26 -2.09 113.62 118.14 3cfk n SER 93 Ca -0.03 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.97 3cfk n SER 93 Cb 0.42 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.87 3cfk n SER 93 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cfk n ASN 94 N 9.93 0.79 -4.18 6.43 3.02 -1.26 -4.98 115.26 125.01 3cfk n ASN 94 Ca 0.00 -0.59 -0.11 0.00 -0.03 0.00 0.00 54.58 53.85 3cfk n ASN 94 Cb 0.00 0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 39.35 3cfk n ASN 94 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3cfk s HIS 95 N -2.80 0.96 -0.12 3.10 -3.43 -0.89 -5.14 115.29 106.98 3cfk s HIS 95 Ca 0.16 -0.87 -0.04 0.00 -0.80 0.00 0.00 55.06 53.51 3cfk s HIS 95 Cb 0.18 -0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 30.76 3cfk s HIS 95 CO 0.64 -0.10 0.03 -1.17 -2.00 0.00 0.00 174.74 172.15 3cfk s LEU 96 N -3.02 3.73 -0.12 5.38 2.96 -1.26 -1.20 118.68 125.15 3cfk s LEU 96 Ca 0.12 0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 3cfk s LEU 96 Cb 0.04 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.87 3cfk s LEU 96 CO -0.04 0.33 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.54 3cfk s VAL 97 N -0.57 1.14 0.31 1.68 1.01 -0.52 -4.95 120.40 118.49 3cfk s VAL 97 Ca 0.10 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 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 0.84 -0.36 0.00 0.00 0.00 175.10 175.98 3cfk s PHE 98 N 1.58 3.57 0.92 5.22 0.08 -1.26 -1.17 117.98 126.91 3cfk s PHE 98 Ca 0.03 1.53 -0.14 0.00 0.12 0.00 0.00 56.93 58.48 3cfk s PHE 98 Cb -0.13 -2.75 0.15 0.00 -0.57 0.00 0.00 43.02 39.72 3cfk s PHE 98 CO -0.08 0.18 1.20 0.20 -0.10 0.00 0.00 175.22 176.63 3cfk s GLY 99 N -1.82 1.64 0.10 4.36 0.00 0.61 -4.48 107.32 107.73 3cfk s GLY 99 Ca 0.50 -0.80 0.27 0.00 0.00 0.00 0.00 44.72 44.69 3cfk s GLY 99 CO 0.20 -0.18 1.84 0.61 0.00 0.00 0.00 173.10 175.58 3cfk n GLY 100 N -2.93 -1.57 0.00 0.20 0.00 -1.25 -4.74 105.19 94.89 3cfk n GLY 100 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.34 1.66 2.98 -0.02 0.00 -1.26 -5.04 105.19 104.85 3cfk n GLY 101 Ca 0.06 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.20 1.50 -0.08 2.61 2.01 -0.08 -4.44 115.64 114.95 3cfk s THR 102 Ca 0.00 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 3cfk s THR 102 Cb 0.00 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3cfk s THR 102 CO 0.00 0.27 1.35 -0.54 -0.69 0.00 0.00 174.62 175.01 3cfk s LYS 103 N 1.48 4.26 -0.32 4.92 1.02 -0.77 -1.15 119.74 129.18 3cfk s LYS 103 Ca 0.01 1.83 -0.11 0.00 0.02 0.00 0.00 55.97 57.73 3cfk s LYS 103 Cb -0.15 -3.71 -0.01 0.00 -0.52 0.00 0.00 37.83 33.44 3cfk s LYS 103 CO -0.09 -0.64 0.18 -1.17 -0.92 0.00 0.00 175.35 172.71 3cfk s LEU 104 N 3.03 4.24 -0.20 3.17 2.96 0.22 -0.99 118.68 131.11 3cfk s LEU 104 Ca 0.60 -0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 53.93 3cfk s LEU 104 Cb -0.27 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 3cfk s LEU 104 CO 0.22 -0.20 0.13 -0.70 -1.32 0.00 0.00 176.35 174.47 3cfk s GLU 105 N 1.65 4.19 -0.18 1.98 2.12 0.24 -3.10 118.70 125.60 3cfk s GLU 105 Ca 0.05 -0.22 -0.17 0.00 0.36 0.00 0.00 54.97 54.99 3cfk s GLU 105 Cb -0.17 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3cfk s GLU 105 CO 0.08 0.30 0.47 0.42 -0.54 0.00 0.00 175.26 175.98 3cfk s ILE 106 N 0.37 5.15 0.57 -3.70 -1.09 -1.26 -1.85 121.20 119.39 3cfk s ILE 106 Ca 0.08 0.87 -0.16 0.00 -2.23 0.00 0.00 60.65 59.21 3cfk s ILE 106 Cb -0.11 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 3cfk s ILE 106 CO -0.02 0.23 1.04 -0.75 -1.23 0.00 0.00 174.94 174.22 3cfk s LYS 107 N 1.31 3.49 0.31 2.79 2.20 0.09 -4.95 119.74 124.98 3cfk s LYS 107 Ca 0.23 1.17 -0.19 0.00 -0.36 0.00 0.00 55.97 56.82 3cfk s LYS 107 Cb -0.15 -2.06 0.03 0.00 -1.51 0.00 0.00 37.83 34.15 3cfk s LYS 107 CO 0.09 -0.67 0.76 -0.98 -0.36 0.00 0.00 175.35 174.19 3cfk s ARG 108 N -3.99 1.92 0.56 4.03 1.04 -1.26 -4.51 118.95 116.74 3cfk s ARG 108 Ca 0.63 -1.14 -0.20 0.00 -1.04 0.00 0.00 55.73 53.98 3cfk s ARG 108 Cb -0.15 0.61 -0.04 0.00 -2.04 0.00 0.00 34.95 33.32 3cfk s ARG 108 CO 0.34 -0.89 1.28 0.95 -0.04 0.00 0.00 175.30 176.94 3cfk s THR 109 N -3.30 2.38 0.33 4.99 -4.23 -1.26 -4.90 115.64 109.65 3cfk s THR 109 Ca 0.13 0.27 -0.29 0.00 -1.18 0.00 0.00 61.69 60.61 3cfk s THR 109 Cb -0.05 -3.12 -0.11 0.00 1.34 0.00 0.00 72.50 70.55 3cfk s THR 109 CO 0.08 -0.03 1.51 0.68 -0.54 0.00 0.00 174.62 176.33 3cfk s VAL 110 N -1.43 2.13 -0.08 2.29 -7.23 -1.26 -4.82 120.40 110.00 3cfk s VAL 110 Ca 0.74 0.12 0.01 0.00 -1.81 0.00 0.00 61.98 61.04 3cfk s VAL 110 Cb -0.35 -3.08 0.02 0.00 0.56 0.00 0.00 36.38 33.53 3cfk s VAL 110 CO 0.40 0.03 -0.09 0.00 -0.31 0.00 0.00 175.10 175.12 3cfk s ALA 111 N -0.61 1.20 0.41 1.32 0.00 0.57 -4.93 121.76 119.71 3cfk s ALA 111 Ca 0.57 -0.41 -0.24 0.00 0.00 0.00 0.00 51.96 51.88 3cfk s ALA 111 Cb -0.46 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 21.89 3cfk s ALA 111 CO 0.55 -0.11 1.10 0.00 0.00 0.00 0.00 175.76 177.31 3cfk s ALA 112 N 1.10 3.08 0.39 0.00 0.00 -1.26 -1.30 121.76 123.77 3cfk s ALA 112 Ca -0.07 0.81 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 3cfk s ALA 112 Cb -0.14 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 3cfk s ALA 112 CO -0.01 -0.38 1.05 -1.25 0.00 0.00 0.00 175.76 175.17 3cfk s PRO 113 N -2.47 4.21 0.21 0.00 0.04 -1.26 -4.53 135.00 131.20 3cfk s PRO 113 Ca 0.59 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 3cfk s PRO 113 Cb -0.25 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.61 3cfk s PRO 113 CO 0.32 -0.11 1.02 -1.12 0.04 0.00 0.00 177.00 177.15 3cfk s SER 114 N -1.52 7.45 -0.06 6.66 0.01 -0.92 -4.85 113.70 120.48 3cfk s SER 114 Ca 0.57 2.03 0.06 0.00 1.31 0.00 0.00 55.95 59.91 3cfk s SER 114 Cb -0.23 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.39 3cfk s SER 114 CO 0.28 -0.03 -0.24 -0.69 0.41 0.00 0.00 173.24 172.97 3cfk s VAL 115 N -0.75 1.95 0.01 3.43 1.01 -1.26 -0.71 120.40 124.08 3cfk s VAL 115 Ca 0.45 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3cfk s VAL 115 Cb -0.28 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3cfk s VAL 115 CO 0.34 0.54 -0.06 -0.36 0.00 0.00 0.00 175.10 175.57 3cfk s PHE 116 N -0.12 0.51 -0.04 5.22 0.40 -0.39 -4.98 117.98 118.58 3cfk s PHE 116 Ca -0.04 -0.26 0.07 0.00 -0.60 0.00 0.00 56.93 56.10 3cfk s PHE 116 Cb -0.13 -0.32 -0.02 0.00 0.51 0.00 0.00 43.02 43.06 3cfk s PHE 116 CO 0.04 -0.04 -0.24 -1.50 0.70 0.00 0.00 175.22 174.17 3cfk s ILE 117 N -0.65 2.20 -0.15 0.64 2.07 -1.26 -0.33 121.20 123.72 3cfk s ILE 117 Ca -0.03 -1.04 0.02 0.00 -1.41 0.00 0.00 60.65 58.19 3cfk s ILE 117 Cb -0.05 -1.79 0.01 0.00 0.13 0.00 0.00 42.46 40.76 3cfk s ILE 117 CO 0.00 0.58 -0.21 -0.36 -1.91 0.00 0.00 174.94 173.04 3cfk s PHE 118 N -0.45 2.70 0.76 3.50 0.08 0.68 -5.00 117.98 120.26 3cfk s PHE 118 Ca 0.05 -1.38 -0.11 0.00 0.12 0.00 0.00 56.93 55.61 3cfk s PHE 118 Cb -0.11 -1.85 0.05 0.00 -0.57 0.00 0.00 43.02 40.54 3cfk s PHE 118 CO 0.01 -0.64 1.08 -1.25 -0.10 0.00 0.00 175.22 174.32 3cfk s PRO 119 N 0.92 2.35 0.56 0.24 0.04 -1.26 -2.18 135.00 135.67 3cfk s PRO 119 Ca -0.04 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 61.75 3cfk s PRO 119 Cb -0.15 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3cfk s PRO 119 CO -0.04 -1.51 1.27 -1.25 0.04 0.00 0.00 177.00 175.51 3cfk s PRO 120 N -5.00 3.08 0.57 0.56 0.04 -1.20 -4.86 135.00 128.18 3cfk s PRO 120 Ca 0.60 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 63.48 3cfk s PRO 120 Cb -0.16 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3cfk s PRO 120 CO 0.55 -1.17 1.08 -1.54 0.04 0.00 0.00 177.00 175.97 3cfk s SER 121 N -1.28 5.73 0.53 6.66 1.04 -1.26 -4.93 113.70 120.20 3cfk s SER 121 Ca 0.74 1.97 0.20 0.00 0.48 0.00 0.00 55.95 59.35 3cfk s SER 121 Cb -0.35 -2.56 1.37 0.00 0.10 0.00 0.00 66.02 64.59 3cfk s SER 121 CO 0.40 -1.20 2.11 0.44 0.98 0.00 0.00 173.24 175.97 3cfk h ASP 122 N 0.78 0.00 -0.55 7.02 3.32 -2.00 -2.59 116.42 122.40 3cfk h ASP 122 Ca -0.48 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 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3cfk h ASP 122 CO 0.57 0.00 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.65 3cfk h GLU 123 N 0.00 1.04 -0.50 3.56 5.08 -2.00 -2.75 114.58 119.00 3cfk h GLU 123 Ca 0.07 -0.39 -0.12 0.00 -1.00 0.00 0.00 59.36 57.93 3cfk h GLU 123 Cb 0.31 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3cfk h GLU 123 CO -0.00 1.08 -0.15 0.37 -1.00 0.00 0.00 179.01 179.31 3cfk h GLN 124 N 0.92 0.99 -0.48 2.33 4.15 -1.78 -3.09 115.11 118.14 3cfk h GLN 124 Ca 0.14 -0.39 -0.00 0.00 0.77 0.00 0.00 58.65 59.17 3cfk h GLN 124 Cb 0.68 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 3cfk h GLN 124 CO 0.05 1.07 0.29 -0.07 -1.93 0.00 0.00 178.83 178.24 3cfk h LEU 125 N 0.85 0.56 -1.57 -2.39 3.38 -1.41 -0.13 115.31 114.61 3cfk h LEU 125 Ca 0.12 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.23 3cfk h LEU 125 Cb 0.72 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3cfk h LEU 125 CO 0.06 0.43 0.53 0.11 0.09 0.00 0.00 178.44 179.65 3cfk h LYS 126 N 0.65 0.40 0.00 1.13 1.57 -1.40 -2.45 116.57 116.48 3cfk h LYS 126 Ca 0.17 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3cfk h LYS 126 Cb -0.03 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3cfk h LYS 126 CO -0.03 0.27 -0.11 -1.13 -0.57 0.00 0.00 179.45 177.88 3cfk n SER 127 N -4.48 0.42 0.00 0.86 3.41 -0.06 -4.94 113.62 108.82 3cfk n SER 127 Ca 0.16 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3cfk n SER 127 Cb 0.57 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.41 0.58 3.46 5.00 0.00 -0.92 -5.09 105.19 109.63 3cfk n GLY 128 Ca 0.06 0.00 -0.22 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 1.57 -0.05 2.61 -4.23 -1.25 -1.39 115.64 110.90 3cfk s THR 129 Ca 0.00 -2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 58.41 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 -0.17 0.08 0.00 -0.54 0.00 0.00 174.62 173.99 3cfk s ALA 130 N -3.05 0.14 -0.16 3.99 0.00 -0.52 -3.53 121.76 118.63 3cfk s ALA 130 Ca 0.32 0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 3cfk s ALA 130 Cb 0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 3cfk s ALA 130 CO 0.14 -0.50 -0.06 -1.12 0.00 0.00 0.00 175.76 174.22 3cfk s SER 131 N 2.18 4.52 -0.20 0.00 0.01 -1.26 -2.01 113.70 116.93 3cfk s SER 131 Ca 0.04 -0.22 -0.05 0.00 1.31 0.00 0.00 55.95 57.03 3cfk s SER 131 Cb -0.12 -1.73 -0.03 0.00 0.21 0.00 0.00 66.02 64.35 3cfk s SER 131 CO -0.04 0.14 0.01 -0.69 0.41 0.00 0.00 173.24 173.07 3cfk s VAL 132 N 0.53 4.05 -0.09 3.43 1.01 -0.03 -3.27 120.40 126.03 3cfk s VAL 132 Ca -0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 3cfk s VAL 132 Cb -0.15 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3cfk s VAL 132 CO 0.03 0.42 -0.07 -0.69 0.00 0.00 0.00 175.10 174.79 3cfk s VAL 133 N 1.00 3.67 -0.11 2.92 1.01 -0.93 -0.49 120.40 127.47 3cfk s VAL 133 Ca 0.02 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3cfk s VAL 133 Cb -0.14 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 3cfk s VAL 133 CO 0.02 0.57 -0.21 0.00 0.00 0.00 0.00 175.10 175.48 3cfk s LEU 135 N 0.34 2.48 -0.28 0.00 2.96 0.55 -1.02 118.68 123.71 3cfk s LEU 135 Ca -0.17 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 3cfk s LEU 135 Cb -0.17 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 45.01 3cfk s LEU 135 CO 0.08 0.18 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.53 3cfk s LEU 136 N 0.26 3.58 -0.13 -0.68 1.02 0.57 -1.26 118.68 122.04 3cfk s LEU 136 Ca -0.12 -0.93 0.00 0.00 0.02 0.00 0.00 54.13 53.10 3cfk s LEU 136 Cb -0.16 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.29 3cfk s LEU 136 CO 0.06 -0.19 -0.14 0.21 0.02 0.00 0.00 176.35 176.32 3cfk s ASN 137 N 1.36 3.93 -1.06 2.29 2.47 0.11 0.13 114.94 124.17 3cfk s ASN 137 Ca -0.00 -0.35 -0.06 0.00 0.42 0.00 0.00 52.86 52.87 3cfk s ASN 137 Cb -0.18 -1.59 -0.06 0.00 -1.45 0.00 0.00 41.25 37.97 3cfk s ASN 137 CO -0.01 0.17 0.92 0.59 -3.72 0.00 0.00 177.10 175.04 3cfk n ASN 138 N 3.52 -6.31 -4.61 -4.21 3.02 -0.57 -2.16 115.26 103.95 3cfk n ASN 138 Ca -0.18 -0.71 -0.24 0.00 -0.03 0.00 0.00 54.58 53.42 3cfk n ASN 138 Cb 0.53 -5.16 -0.08 0.00 -0.61 0.00 0.00 39.78 34.46 3cfk n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3cfk s PHE 139 N -3.39 2.64 -0.22 3.10 -0.71 -0.09 -4.55 117.98 114.75 3cfk s PHE 139 Ca 0.43 -0.23 -0.19 0.00 -1.04 0.00 0.00 56.93 55.89 3cfk s PHE 139 Cb -0.06 -1.18 0.06 0.00 -1.21 0.00 0.00 43.02 40.63 3cfk s PHE 139 CO 0.74 0.62 0.59 -0.47 -1.34 0.00 0.00 175.22 175.36 3cfk s TYR 140 N -2.27 -0.68 0.39 3.49 6.14 -0.42 -0.74 117.35 123.26 3cfk s TYR 140 Ca 0.30 1.61 -0.07 0.00 0.64 0.00 0.00 57.07 59.56 3cfk s TYR 140 Cb -0.07 0.26 0.09 0.00 0.42 0.00 0.00 41.96 42.67 3cfk s TYR 140 CO 0.19 -0.33 0.48 -0.35 0.64 0.00 0.00 175.55 176.18 3cfk n PRO 141 N 3.02 -0.77 0.10 4.97 -0.04 -1.26 -0.32 135.00 140.70 3cfk n PRO 141 Ca -0.15 -0.75 -0.05 0.00 -0.04 0.00 0.00 63.50 62.51 3cfk n PRO 141 Cb 0.56 -0.54 0.07 0.00 -0.04 0.00 0.00 33.50 33.56 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 0.14 -6.53 0.54 2.43 -1.99 -3.45 114.38 105.52 3cfk h ARG 142 Ca -0.16 -0.12 -0.53 0.00 -0.81 0.00 0.00 59.98 58.36 3cfk h ARG 142 Cb 0.45 0.03 0.04 0.00 -0.42 0.00 0.00 29.97 30.07 3cfk h ARG 142 CO 0.11 0.80 1.05 -1.21 -1.51 0.00 0.00 179.97 179.21 3cfk s GLU 143 N -3.46 4.16 -0.24 0.20 2.02 -1.26 -4.96 118.70 115.16 3cfk s GLU 143 Ca -0.02 2.51 -0.17 0.00 0.02 0.00 0.00 54.97 57.31 3cfk s GLU 143 Cb 0.11 -3.48 0.07 0.00 0.10 0.00 0.00 34.13 30.93 3cfk s GLU 143 CO 0.80 -0.78 0.60 0.00 0.02 0.00 0.00 175.26 175.90 3cfk s ALA 144 N 2.35 -1.55 -0.13 5.21 0.00 -1.26 -4.57 121.76 121.80 3cfk s ALA 144 Ca 0.77 1.94 -0.04 0.00 0.00 0.00 0.00 51.96 54.63 3cfk s ALA 144 Cb -0.45 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 3cfk s ALA 144 CO 0.34 -0.32 0.00 0.21 0.00 0.00 0.00 175.76 176.00 3cfk s LYS 145 N 1.00 3.46 -0.13 0.00 2.20 -0.57 -4.99 119.74 120.70 3cfk s LYS 145 Ca -0.05 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.15 3cfk s LYS 145 Cb -0.05 -2.94 0.01 0.00 -1.51 0.00 0.00 37.83 33.34 3cfk s LYS 145 CO -0.09 0.44 -0.22 0.08 -0.36 0.00 0.00 175.35 175.20 3cfk s VAL 146 N -0.16 2.06 -0.10 4.02 1.01 -1.26 -1.66 120.40 124.31 3cfk s VAL 146 Ca 0.05 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3cfk s VAL 146 Cb -0.13 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3cfk s VAL 146 CO 0.02 0.55 -0.23 -1.10 0.00 0.00 0.00 175.10 174.34 3cfk s GLN 147 N 0.74 2.96 -0.05 2.72 -0.21 0.25 -4.97 119.66 121.10 3cfk s GLN 147 Ca -0.09 -0.85 -0.13 0.00 0.02 0.00 0.00 55.36 54.32 3cfk s GLN 147 Cb -0.16 -2.26 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 3cfk s GLN 147 CO -0.00 0.14 0.33 -1.58 -2.12 0.00 0.00 175.29 172.06 3cfk s TRP 148 N 0.42 3.66 -0.01 0.91 0.52 -1.26 -0.20 118.94 122.98 3cfk s TRP 148 Ca -0.17 0.82 0.02 0.00 0.02 0.00 0.00 56.10 56.79 3cfk s TRP 148 Cb -0.18 -2.21 -0.00 0.00 -1.15 0.00 0.00 33.47 29.94 3cfk s TRP 148 CO 0.07 0.61 -0.08 0.15 0.02 0.00 0.00 176.95 177.73 3cfk s LYS 149 N -0.84 0.72 -0.16 4.98 1.02 -0.57 -0.58 119.74 124.31 3cfk s LYS 149 Ca 0.21 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 55.94 3cfk s LYS 149 Cb -0.15 -0.70 0.02 0.00 -0.52 0.00 0.00 37.83 36.48 3cfk s LYS 149 CO 0.10 0.13 -0.19 0.08 -0.92 0.00 0.00 175.35 174.55 3cfk s VAL 150 N 0.03 1.92 -1.65 3.17 1.01 -0.38 -1.17 120.40 123.33 3cfk s VAL 150 Ca -0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 3cfk s VAL 150 Cb -0.06 -1.75 0.13 0.00 0.00 0.00 0.00 36.38 34.71 3cfk s VAL 150 CO -0.00 0.52 0.69 0.47 0.00 0.00 0.00 175.10 176.77 3cfk n ASP 151 N 4.57 -2.57 0.00 3.32 8.00 -0.07 -1.37 116.55 128.43 3cfk n ASP 151 Ca -0.20 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.27 3cfk n ASP 151 Cb 0.50 -2.72 0.00 0.00 -0.02 0.00 0.00 41.12 38.88 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 -2.71 -1.26 -4.75 -2.24 5.03 -1.26 -5.02 115.26 103.05 3cfk n ASN 152 Ca -0.01 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.07 3cfk n ASN 152 Cb 0.53 -0.78 -0.06 0.00 -1.02 0.00 0.00 39.78 38.44 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 -2.79 3.58 0.10 5.41 0.00 -0.47 -5.02 121.76 122.57 3cfk s ALA 153 Ca 0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 3cfk s ALA 153 Cb 0.00 -2.47 -0.08 0.00 0.00 0.00 0.00 23.12 20.57 3cfk s ALA 153 CO 0.00 0.16 1.47 -0.51 0.00 0.00 0.00 175.76 176.89 3cfk s LEU 154 N 0.13 4.36 0.23 0.00 1.43 -1.26 -1.25 118.68 122.32 3cfk s LEU 154 Ca 0.22 2.39 -0.13 0.00 -1.03 0.00 0.00 54.13 55.57 3cfk s LEU 154 Cb -0.15 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 3cfk s LEU 154 CO 0.08 -0.74 0.61 -1.10 0.23 0.00 0.00 176.35 175.43 3cfk s GLN 155 N 1.56 3.93 -0.05 1.70 -1.52 0.25 -4.94 119.66 120.60 3cfk s GLN 155 Ca 0.67 0.47 -0.02 0.00 -1.95 0.00 0.00 55.36 54.53 3cfk s GLN 155 Cb -0.38 -2.69 0.03 0.00 -0.22 0.00 0.00 33.01 29.75 3cfk s GLN 155 CO 0.30 0.33 0.11 0.45 -0.25 0.00 0.00 175.29 176.23 3cfk s SER 156 N -2.12 -0.05 -1.95 5.90 0.15 -1.26 -4.70 113.70 109.67 3cfk s SER 156 Ca 0.46 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.32 3cfk s SER 156 Cb -0.12 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 3cfk s SER 156 CO 0.20 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.11 3cfk n GLY 157 N 4.16 0.44 1.22 9.45 0.00 -1.26 -4.84 105.19 114.37 3cfk n GLY 157 Ca -0.27 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.77 1.31 -4.08 1.61 6.94 -1.26 -5.07 115.26 112.94 3cfk n ASN 158 Ca -0.23 -2.69 -0.12 0.00 -0.02 0.00 0.00 54.58 51.51 3cfk n ASN 158 Cb 0.69 -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 -2.49 0.88 0.16 0.53 1.04 -1.26 -2.13 113.70 110.43 3cfk s SER 159 Ca 0.35 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 56.18 3cfk s SER 159 Cb 0.38 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 3cfk s SER 159 CO -0.13 -0.26 -0.05 -1.10 0.98 0.00 0.00 173.24 172.68 3cfk s GLN 160 N -2.00 1.07 -0.00 4.02 -0.21 -0.61 -4.97 119.66 116.95 3cfk s GLN 160 Ca -0.06 -1.48 -0.09 0.00 0.02 0.00 0.00 55.36 53.74 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 -0.02 0.18 -2.00 -2.12 0.00 0.00 175.29 171.32 3cfk s GLU 161 N -3.82 0.53 -0.23 2.91 2.12 -1.26 -0.88 118.70 118.06 3cfk s GLU 161 Ca 0.19 -0.34 -0.19 0.00 0.36 0.00 0.00 54.97 54.99 3cfk s GLU 161 Cb 0.04 0.22 0.06 0.00 0.26 0.00 0.00 34.13 34.72 3cfk s GLU 161 CO 0.02 -0.13 0.60 0.45 -0.54 0.00 0.00 175.26 175.66 3cfk s SER 162 N -1.36 -0.69 0.03 -1.70 0.15 -0.48 -5.01 113.70 104.64 3cfk s SER 162 Ca -0.14 1.25 0.06 0.00 0.70 0.00 0.00 55.95 57.81 3cfk s SER 162 Cb -0.07 1.22 -0.02 0.00 -1.71 0.00 0.00 66.02 65.44 3cfk s SER 162 CO 0.02 -0.22 -0.17 0.54 1.20 0.00 0.00 173.24 174.62 3cfk s VAL 163 N 0.72 1.33 0.76 4.45 0.11 -1.26 -1.01 120.40 125.50 3cfk s VAL 163 Ca -0.03 -0.99 -0.11 0.00 -2.93 0.00 0.00 61.98 57.91 3cfk s VAL 163 Cb -0.05 -1.17 0.06 0.00 -1.53 0.00 0.00 36.38 33.69 3cfk s VAL 163 CO -0.05 0.15 1.13 0.42 -3.33 0.00 0.00 175.10 173.42 3cfk s THR 164 N -0.72 2.47 0.72 5.04 -4.23 -0.41 -5.00 115.64 113.51 3cfk s THR 164 Ca 0.05 0.09 -0.11 0.00 -1.18 0.00 0.00 61.69 60.54 3cfk s THR 164 Cb -0.08 -3.14 0.02 0.00 1.34 0.00 0.00 72.50 70.64 3cfk s THR 164 CO 0.01 -0.18 1.08 -1.61 -0.54 0.00 0.00 174.62 173.38 3cfk s GLU 165 N -5.47 2.74 0.23 3.99 2.02 -1.26 -4.66 118.70 116.29 3cfk s GLU 165 Ca 0.60 0.71 -0.32 0.00 0.02 0.00 0.00 54.97 55.99 3cfk s GLU 165 Cb -0.11 -1.99 -0.12 0.00 0.10 0.00 0.00 34.13 32.01 3cfk s GLU 165 CO 0.49 -1.17 1.69 0.94 0.02 0.00 0.00 175.26 177.22 3cfk n GLN 166 N -3.14 2.73 -2.05 1.61 7.27 -1.26 -4.76 117.38 117.77 3cfk n GLN 166 Ca 0.07 0.98 -0.42 0.00 0.07 0.00 0.00 57.00 57.71 3cfk n GLN 166 Cb 0.55 -2.81 -0.03 0.00 2.41 0.00 0.00 30.24 30.37 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 6.70 0.00 1.69 -1.08 0.12 -4.90 116.67 120.21 3cfk s ASP 167 Ca 0.73 2.55 0.19 0.00 -0.52 0.00 0.00 52.55 55.49 3cfk s ASP 167 Cb -0.51 -2.61 0.92 0.00 -1.46 0.00 0.00 42.92 39.26 3cfk s ASP 167 CO 0.36 -0.70 1.60 -1.54 0.52 0.00 0.00 175.17 175.41 3cfk n SER 168 N 3.15 0.00 -0.03 -0.34 3.41 -1.26 -1.58 113.62 116.97 3cfk n SER 168 Ca 0.10 0.17 -0.07 0.00 -0.26 0.00 0.00 58.87 58.80 3cfk n SER 168 Cb 0.41 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.35 0.28 0.00 4.33 5.02 -1.26 -3.89 118.16 121.29 3cfk n LYS 169 Ca 0.08 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 3cfk n LYS 169 Cb 0.17 -0.99 0.24 0.00 -0.02 0.00 0.00 35.03 34.43 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 -3.93 1.38 -1.78 4.39 5.68 -1.26 -4.96 116.55 116.06 3cfk n ASP 170 Ca -0.12 -1.11 -0.18 0.00 -0.50 0.00 0.00 54.79 52.89 3cfk n ASP 170 Cb 0.36 0.27 -0.03 0.00 -1.14 0.00 0.00 41.12 40.57 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 -0.44 -5.14 -4.94 -1.12 7.64 -0.61 -4.99 113.62 104.00 3cfk n SER 171 Ca 0.11 0.14 -0.19 0.00 1.01 0.00 0.00 58.87 59.93 3cfk n SER 171 Cb 0.39 -4.21 -0.01 0.00 -1.01 0.00 0.00 64.21 59.37 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 -2.80 3.63 0.26 0.44 -4.23 -1.26 -4.67 115.64 107.01 3cfk s THR 172 Ca 0.00 -1.14 0.09 0.00 -1.18 0.00 0.00 61.69 59.46 3cfk s THR 172 Cb 0.00 -3.25 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 3cfk s THR 172 CO 0.00 -0.12 0.03 -0.31 -0.54 0.00 0.00 174.62 173.68 3cfk s TYR 173 N -2.26 2.78 0.09 3.99 2.02 0.08 -0.70 117.35 123.35 3cfk s TYR 173 Ca 0.46 -0.20 0.04 0.00 -0.37 0.00 0.00 57.07 57.00 3cfk s TYR 173 Cb -0.08 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 3cfk s TYR 173 CO 0.30 0.60 -0.10 -1.12 -1.57 0.00 0.00 175.55 173.65 3cfk s SER 174 N -3.66 1.44 -0.00 2.29 0.01 -1.26 -0.92 113.70 111.60 3cfk s SER 174 Ca 0.31 -0.78 -0.00 0.00 1.31 0.00 0.00 55.95 56.80 3cfk s SER 174 Cb -0.07 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.17 3cfk s SER 174 CO 0.21 -0.24 0.00 -0.22 0.41 0.00 0.00 173.24 173.40 3cfk s LEU 175 N -2.33 1.99 -0.07 2.44 0.20 0.12 -1.28 118.68 119.75 3cfk s LEU 175 Ca 0.04 0.00 0.03 0.00 0.69 0.00 0.00 54.13 54.89 3cfk s LEU 175 Cb -0.04 0.00 0.01 0.00 -0.43 0.00 0.00 46.19 45.73 3cfk s LEU 175 CO 0.00 -0.00 -0.16 -0.55 -0.29 0.00 0.00 176.35 175.35 3cfk s SER 176 N 0.00 2.17 -0.04 3.68 0.15 -0.18 -0.32 113.70 119.17 3cfk s SER 176 Ca -0.00 -0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.31 3cfk s SER 176 Cb -0.00 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 3cfk s SER 176 CO -0.00 0.09 -0.13 -0.55 1.20 0.00 0.00 173.24 173.85 3cfk s SER 177 N 0.43 1.69 -0.12 5.45 0.15 -0.19 -1.39 113.70 119.72 3cfk s SER 177 Ca -0.13 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.26 3cfk s SER 177 Cb -0.15 -0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 63.63 3cfk s SER 177 CO 0.05 0.09 -0.17 -0.89 1.20 0.00 0.00 173.24 173.52 3cfk s THR 178 N 0.22 2.72 -0.25 6.45 2.01 -0.06 -0.10 115.64 126.64 3cfk s THR 178 Ca -0.05 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.07 3cfk s THR 178 Cb -0.11 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 3cfk s THR 178 CO 0.02 0.54 0.13 -0.22 -0.69 0.00 0.00 174.62 174.39 3cfk s LEU 179 N 0.35 3.85 -0.19 4.42 2.96 0.35 -1.58 118.68 128.84 3cfk s LEU 179 Ca -0.14 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 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 0.07 0.02 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.18 3cfk s THR 180 N 1.34 3.57 0.16 3.68 2.01 -0.90 -0.85 115.64 124.64 3cfk s THR 180 Ca 0.06 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.62 3cfk s THR 180 Cb -0.15 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 3cfk s THR 180 CO 0.06 0.45 0.05 -1.48 -0.69 0.00 0.00 174.62 173.00 3cfk s LEU 181 N 0.99 1.84 0.67 4.42 2.34 -0.85 -4.88 118.68 123.21 3cfk s LEU 181 Ca 0.00 -1.22 -0.13 0.00 0.06 0.00 0.00 54.13 52.84 3cfk s LEU 181 Cb -0.15 0.17 0.00 0.00 -0.56 0.00 0.00 46.19 45.66 3cfk s LEU 181 CO 0.01 -0.68 1.08 -0.94 -1.06 0.00 0.00 176.35 174.75 3cfk s SER 182 N -3.11 5.28 0.16 1.48 1.04 -1.26 -1.44 113.70 115.85 3cfk s SER 182 Ca 0.26 1.81 -0.16 0.00 0.48 0.00 0.00 55.95 58.34 3cfk s SER 182 Cb 0.07 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.75 3cfk s SER 182 CO 0.04 -1.51 1.71 0.50 0.98 0.00 0.00 173.24 174.96 3cfk h LYS 183 N -0.24 0.14 -0.58 4.02 3.64 -1.49 0.94 116.57 123.00 3cfk h LYS 183 Ca -0.45 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 58.99 3cfk h LYS 183 Cb 1.23 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 3cfk h LYS 183 CO 0.55 0.09 0.26 0.00 -2.27 0.00 0.00 179.45 178.09 3cfk h ALA 184 N 1.30 0.76 -0.27 5.00 0.00 -1.93 -1.11 119.26 123.01 3cfk h ALA 184 Ca 0.18 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3cfk h ALA 184 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3cfk h ALA 184 CO -0.27 -0.12 -0.36 -0.44 0.00 0.00 0.00 179.25 178.06 3cfk h ASP 185 N 0.49 0.62 -0.41 0.00 5.19 -1.81 -2.90 116.42 117.60 3cfk h ASP 185 Ca 0.28 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 3cfk h ASP 185 Cb 0.26 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 3cfk h ASP 185 CO -0.23 0.93 0.24 0.22 -3.12 0.00 0.00 179.24 177.28 3cfk h TYR 186 N 0.50 0.56 0.00 4.55 3.20 -0.08 -2.69 116.97 123.01 3cfk h TYR 186 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3cfk h TYR 186 Cb 0.86 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.94 3cfk h TYR 186 CO 0.04 0.39 0.00 0.39 -1.64 0.00 0.00 178.16 177.34 3cfk n GLU 187 N -4.43 0.11 0.00 1.82 -0.58 -0.49 -3.34 120.64 113.73 3cfk n GLU 187 Ca 0.03 0.17 0.13 0.00 -0.42 0.00 0.00 57.16 57.07 3cfk n GLU 187 Cb 0.09 -1.65 0.35 0.00 -0.57 0.00 0.00 31.44 29.66 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 -1.85 0.00 -4.26 3.49 5.02 -1.01 -4.92 118.16 114.63 3cfk n LYS 188 Ca 0.05 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 3cfk n LYS 188 Cb 0.33 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.71 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 -3.00 1.39 -0.18 2.13 3.76 -1.21 -5.08 115.29 113.09 3cfk s HIS 189 Ca 0.12 -0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 54.46 3cfk s HIS 189 Cb 0.18 -0.78 -0.08 0.00 1.11 0.00 0.00 32.58 33.00 3cfk s HIS 189 CO 0.65 0.09 -0.16 1.17 -0.85 0.00 0.00 174.74 175.64 3cfk n LYS 190 N 1.38 0.51 -3.59 1.40 4.81 -1.26 -4.72 118.16 116.70 3cfk n LYS 190 Ca -0.20 0.43 -0.38 0.00 -0.87 0.00 0.00 58.31 57.29 3cfk n LYS 190 Cb 0.54 -1.61 -0.10 0.00 0.02 0.00 0.00 35.03 33.87 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 -2.47 5.31 -0.21 3.15 1.01 -1.26 -0.73 120.40 125.20 3cfk s VAL 191 Ca -0.24 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 3cfk s VAL 191 Cb 0.05 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.90 3cfk s VAL 191 CO 0.38 0.27 -0.10 -0.31 0.00 0.00 0.00 175.10 175.34 3cfk s TYR 192 N 1.58 2.92 0.03 5.22 1.51 -0.84 -0.89 117.35 126.87 3cfk s TYR 192 Ca 0.08 -1.32 0.06 0.00 -1.01 0.00 0.00 57.07 54.88 3cfk s TYR 192 Cb -0.15 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 3cfk s TYR 192 CO 0.09 -0.68 -0.19 0.00 -1.11 0.00 0.00 175.55 173.67 3cfk s ALA 193 N 1.38 1.56 -0.22 3.71 0.00 -0.32 -1.89 121.76 125.98 3cfk s ALA 193 Ca 0.04 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 3cfk s ALA 193 Cb -0.14 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.66 3cfk s ALA 193 CO -0.07 0.35 -0.08 0.00 0.00 0.00 0.00 175.76 175.96 3cfk s GLU 195 N 1.40 3.34 -0.11 0.00 2.12 0.73 -1.04 118.70 125.14 3cfk s GLU 195 Ca 0.04 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.74 3cfk s GLU 195 Cb -0.15 -2.67 0.02 0.00 0.26 0.00 0.00 34.13 31.59 3cfk s GLU 195 CO -0.05 0.28 -0.13 0.08 -0.54 0.00 0.00 175.26 174.90 3cfk s VAL 196 N 0.19 1.33 -0.07 3.70 1.01 0.57 -0.58 120.40 126.54 3cfk s VAL 196 Ca -0.06 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3cfk s VAL 196 Cb -0.15 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3cfk s VAL 196 CO 0.04 0.41 -0.06 0.42 0.00 0.00 0.00 175.10 175.91 3cfk s THR 197 N 1.21 3.75 -0.02 3.92 -4.23 -0.66 -1.66 115.64 117.94 3cfk s THR 197 Ca -0.03 -0.46 -0.27 0.00 -1.18 0.00 0.00 61.69 59.75 3cfk s THR 197 Cb -0.14 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.22 3cfk s THR 197 CO -0.04 0.60 0.59 -2.28 -0.54 0.00 0.00 174.62 172.95 3cfk s HIS 198 N -0.79 -0.54 0.45 3.99 2.46 -1.26 -1.51 115.29 118.09 3cfk s HIS 198 Ca 0.12 0.84 0.14 0.00 0.47 0.00 0.00 55.06 56.63 3cfk s HIS 198 Cb -0.11 0.36 1.07 0.00 -0.13 0.00 0.00 32.58 33.76 3cfk s HIS 198 CO 0.01 -0.59 2.02 0.37 -2.47 0.00 0.00 174.74 174.08 3cfk h GLN 199 N 3.05 0.33 0.00 2.88 4.15 -1.93 -0.93 115.11 122.66 3cfk h GLN 199 Ca -0.28 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3cfk h GLN 199 Cb 1.17 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3cfk h GLN 199 CO 0.39 0.22 0.00 0.41 -1.93 0.00 0.00 178.83 177.92 3cfk n GLY 200 N -1.53 -1.32 3.72 2.39 0.00 -1.26 -4.67 105.19 102.52 3cfk n GLY 200 Ca 0.07 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.61 4.06 0.00 0.99 1.43 -0.36 -4.58 118.68 116.62 3cfk s LEU 201 Ca 0.09 0.22 0.28 0.00 -1.03 0.00 0.00 54.13 53.69 3cfk s LEU 201 Cb 0.13 -2.02 1.12 0.00 0.03 0.00 0.00 46.19 45.45 3cfk s LEU 201 CO 0.42 0.24 1.84 -1.54 0.23 0.00 0.00 176.35 177.54 3cfk n SER 202 N 3.11 0.14 -3.49 2.29 3.41 -1.26 -4.68 113.62 113.13 3cfk n SER 202 Ca -0.17 0.19 -0.14 0.00 -0.26 0.00 0.00 58.87 58.49 3cfk n SER 202 Cb 0.53 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.91 -0.57 0.47 4.04 1.04 -1.26 -5.15 113.70 109.36 3cfk s SER 203 Ca 0.16 0.36 -0.24 0.00 0.48 0.00 0.00 55.95 56.71 3cfk s SER 203 Cb 0.19 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.76 3cfk s SER 203 CO 0.55 -0.72 1.36 -2.84 0.98 0.00 0.00 173.24 172.57 3cfk s PRO 204 N -2.31 3.60 -0.14 4.02 0.02 -1.26 -4.97 135.00 133.96 3cfk s PRO 204 Ca -0.04 2.25 -0.12 0.00 0.02 0.00 0.00 61.00 63.11 3cfk s PRO 204 Cb -0.01 -2.54 -0.05 0.00 0.02 0.00 0.00 34.50 31.93 3cfk s PRO 204 CO -0.01 -0.83 0.25 0.08 -0.33 0.00 0.00 177.00 176.16 3cfk s VAL 205 N -1.28 5.32 -0.11 3.83 1.01 -0.67 -4.90 120.40 123.61 3cfk s VAL 205 Ca 0.63 0.46 0.01 0.00 0.00 0.00 0.00 61.98 63.09 3cfk s VAL 205 Cb -0.40 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3cfk s VAL 205 CO 0.50 0.46 -0.15 -0.89 0.00 0.00 0.00 175.10 175.02 3cfk s THR 206 N 0.00 2.89 -0.05 3.92 2.01 -1.26 -0.32 115.64 122.83 3cfk s THR 206 Ca 0.16 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.47 3cfk s THR 206 Cb -0.13 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 3cfk s THR 206 CO 0.04 0.54 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.79 3cfk s LYS 207 N 0.17 2.54 0.18 4.92 -0.14 -0.21 -4.98 119.74 122.22 3cfk s LYS 207 Ca -0.08 -0.78 -0.10 0.00 -1.36 0.00 0.00 55.97 53.65 3cfk s LYS 207 Cb -0.15 -2.30 -0.01 0.00 -1.68 0.00 0.00 37.83 33.69 3cfk s LYS 207 CO 0.05 0.52 0.33 -1.54 -0.76 0.00 0.00 175.35 173.95 3cfk s SER 208 N -0.48 0.00 0.06 2.83 1.04 -1.26 -0.43 113.70 115.46 3cfk s SER 208 Ca 0.06 -0.89 -0.06 0.00 0.48 0.00 0.00 55.95 55.54 3cfk s SER 208 Cb -0.12 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 3cfk s SER 208 CO 0.01 -0.95 0.11 0.72 0.98 0.00 0.00 173.24 174.11 3cfk s PHE 209 N -3.98 0.26 -0.26 5.02 -0.12 -0.79 -5.01 117.98 113.10 3cfk s PHE 209 Ca 0.19 -0.68 -0.09 0.00 -0.05 0.00 0.00 56.93 56.30 3cfk s PHE 209 Cb 0.02 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 3cfk s PHE 209 CO 0.02 -0.45 0.12 -0.80 -0.05 0.00 0.00 175.22 174.06 3cfk s ASN 210 N -2.66 5.54 0.08 1.98 0.01 -1.26 -1.99 114.94 116.64 3cfk s ASN 210 Ca 0.03 -0.10 -0.37 0.00 -0.71 0.00 0.00 52.86 51.70 3cfk s ASN 210 Cb 0.04 -2.01 -0.17 0.00 0.41 0.00 0.00 41.25 39.52 3cfk s ASN 210 CO -0.09 -0.03 1.33 -1.14 -1.51 0.00 0.00 177.10 175.67 3cfk n ARG 211 N 4.88 1.09 -3.01 -0.60 0.63 0.10 -1.92 116.66 117.82 3cfk n ARG 211 Ca -0.15 0.39 -0.15 0.00 -0.92 0.00 0.00 57.85 57.02 3cfk n ARG 211 Cb 0.52 -2.03 0.04 0.00 0.45 0.00 0.00 32.46 31.44 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 2.48 -0.04 0.00 5.14 0.00 -1.26 -4.98 105.19 106.52 3cfk n GLY 212 Ca 0.19 -0.13 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