#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf5 s ILE 2 N 0.00 4.48 -0.16 0.53 1.09 -1.26 -5.02 121.20 120.86 1xf5 s ILE 2 Ca 0.00 1.79 -0.17 0.00 -1.10 0.00 0.00 60.65 61.17 1xf5 s ILE 2 Cb 0.00 -4.15 -0.04 0.00 -1.06 0.00 0.00 42.46 37.21 1xf5 s ILE 2 CO 0.00 -0.15 0.44 -0.69 -0.10 0.00 0.00 174.94 174.44 1xf5 s VAL 3 N 3.28 5.19 -0.24 2.92 1.01 -1.26 -4.73 120.40 126.57 1xf5 s VAL 3 Ca 0.50 0.84 -0.09 0.00 0.00 0.00 0.00 61.98 63.22 1xf5 s VAL 3 Cb -0.19 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1xf5 s VAL 3 CO 0.11 0.28 0.12 -0.04 0.00 0.00 0.00 175.10 175.57 1xf5 s MET 4 N 1.02 3.91 -0.16 2.72 -1.94 -1.26 -0.86 119.30 122.73 1xf5 s MET 4 Ca 0.22 -0.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.84 1xf5 s MET 4 Cb -0.15 -3.44 -0.01 0.00 2.01 0.00 0.00 34.83 33.24 1xf5 s MET 4 CO 0.09 -0.01 -0.11 -1.12 -0.01 0.00 0.00 175.02 173.85 1xf5 s SER 5 N 1.22 4.00 0.04 3.03 0.01 0.14 -4.36 113.70 117.77 1xf5 s SER 5 Ca 0.06 -0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.02 1xf5 s SER 5 Cb -0.14 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 1xf5 s SER 5 CO 0.05 0.09 -0.21 -1.10 0.41 0.00 0.00 173.24 172.48 1xf5 s GLN 6 N 0.79 1.95 0.01 12.44 -0.21 -1.26 0.45 119.66 133.83 1xf5 s GLN 6 Ca -0.04 -1.04 -0.27 0.00 0.02 0.00 0.00 55.36 54.03 1xf5 s GLN 6 Cb -0.15 -2.10 0.06 0.00 1.00 0.00 0.00 33.01 31.82 1xf5 s GLN 6 CO 0.01 0.53 0.62 -1.54 -2.12 0.00 0.00 175.29 172.79 1xf5 s SER 7 N -1.37 -0.59 1.33 5.90 1.04 -0.30 -4.64 113.70 115.06 1xf5 s SER 7 Ca 0.13 0.47 -0.18 0.00 0.48 0.00 0.00 55.95 56.85 1xf5 s SER 7 Cb -0.10 0.53 0.28 0.00 0.10 0.00 0.00 66.02 66.83 1xf5 s SER 7 CO 0.04 -0.69 0.73 -2.65 0.98 0.00 0.00 173.24 171.65 1xf5 n PRO 8 N 0.61 -3.80 0.06 4.02 -0.02 -1.26 -0.46 135.00 134.15 1xf5 n PRO 8 Ca -0.19 -1.20 -0.10 0.00 -2.02 0.00 0.00 63.50 59.99 1xf5 n PRO 8 Cb 0.59 -1.42 -0.13 0.00 -0.02 0.00 0.00 33.50 32.52 1xf5 n PRO 8 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xf5 h SER 9 N -3.01 0.13 -5.01 2.55 0.87 -1.85 -3.42 113.55 103.81 1xf5 h SER 9 Ca -0.31 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.06 1xf5 h SER 9 Cb 1.02 -0.04 -0.13 0.00 -0.44 0.00 0.00 62.40 62.80 1xf5 h SER 9 CO 0.19 1.12 0.17 -0.94 -0.53 0.00 0.00 176.83 176.84 1xf5 s SER 10 N -6.76 -0.54 0.01 6.23 1.04 -1.26 -1.63 113.70 110.79 1xf5 s SER 10 Ca -0.02 0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 1xf5 s SER 10 Cb 0.09 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 1xf5 s SER 10 CO 0.84 -0.90 0.05 -0.76 0.98 0.00 0.00 173.24 173.45 1xf5 s LEU 11 N -2.51 1.92 -0.08 2.42 1.43 0.84 -4.91 118.68 117.78 1xf5 s LEU 11 Ca -0.01 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1xf5 s LEU 11 Cb -0.01 0.35 0.03 0.00 0.03 0.00 0.00 46.19 46.59 1xf5 s LEU 11 CO -0.09 -0.30 0.00 0.00 0.23 0.00 0.00 176.35 176.18 1xf5 s ALA 12 N -1.29 0.76 0.15 4.21 0.00 -1.26 -0.33 121.76 124.00 1xf5 s ALA 12 Ca -0.14 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1xf5 s ALA 12 Cb -0.08 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 1xf5 s ALA 12 CO 0.00 -0.52 -0.05 0.14 0.00 0.00 0.00 175.76 175.33 1xf5 s VAL 13 N 1.95 0.90 0.34 0.00 -7.23 -0.89 -4.82 120.40 110.65 1xf5 s VAL 13 Ca 0.05 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 1xf5 s VAL 13 Cb -0.13 -1.95 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 1xf5 s VAL 13 CO -0.06 -0.65 0.75 -0.44 -0.31 0.00 0.00 175.10 174.40 1xf5 s SER 14 N -3.16 6.75 0.44 4.85 0.01 -1.26 0.61 113.70 121.94 1xf5 s SER 14 Ca 0.19 1.28 -0.24 0.00 1.31 0.00 0.00 55.95 58.50 1xf5 s SER 14 Cb 0.05 -2.37 -0.10 0.00 0.21 0.00 0.00 66.02 63.80 1xf5 s SER 14 CO 0.01 -0.23 0.99 0.00 0.41 0.00 0.00 173.24 174.42 1xf5 n ALA 15 N -0.48 0.14 -0.08 1.44 0.00 -1.26 -2.07 120.51 118.20 1xf5 n ALA 15 Ca 0.04 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1xf5 n ALA 15 Cb 0.53 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1xf5 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xf5 n GLY 16 N 1.21 2.54 3.92 0.00 0.00 0.66 -4.93 105.19 108.60 1xf5 n GLY 16 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1xf5 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xf5 s GLU 17 N -0.10 2.35 -0.19 1.61 2.02 -0.88 -4.47 118.70 119.03 1xf5 s GLU 17 Ca 0.00 -0.12 -0.08 0.00 0.02 0.00 0.00 54.97 54.80 1xf5 s GLU 17 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 1xf5 s GLU 17 CO 0.00 -1.17 0.08 0.21 0.02 0.00 0.00 175.26 174.40 1xf5 s LYS 18 N -5.25 3.98 -0.01 1.61 2.20 -1.21 -1.77 119.74 119.29 1xf5 s LYS 18 Ca 0.59 -0.34 0.08 0.00 -0.36 0.00 0.00 55.97 55.94 1xf5 s LYS 18 Cb -0.11 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.92 1xf5 s LYS 18 CO 0.46 0.22 -0.24 0.54 -0.36 0.00 0.00 175.35 175.97 1xf5 s VAL 19 N 0.52 2.22 -0.12 4.02 0.11 -0.54 -4.99 120.40 121.63 1xf5 s VAL 19 Ca 0.04 -1.11 0.03 0.00 -2.93 0.00 0.00 61.98 58.01 1xf5 s VAL 19 Cb -0.13 -1.80 0.00 0.00 -1.53 0.00 0.00 36.38 32.93 1xf5 s VAL 19 CO 0.01 0.54 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.20 1xf5 s THR 20 N -0.67 2.06 0.04 5.04 2.01 -1.26 -2.02 115.64 120.84 1xf5 s THR 20 Ca 0.11 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1xf5 s THR 20 Cb -0.10 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1xf5 s THR 20 CO -0.00 0.55 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.37 1xf5 s MET 21 N 0.54 2.43 0.08 4.92 -1.94 0.36 -4.80 119.30 120.91 1xf5 s MET 21 Ca -0.14 -0.82 0.10 0.00 -1.71 0.00 0.00 55.69 53.12 1xf5 s MET 21 Cb -0.17 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 1xf5 s MET 21 CO 0.04 0.57 -0.25 0.45 -0.01 0.00 0.00 175.02 175.83 1xf5 s SER 22 N -1.71 3.38 -0.13 3.03 0.15 0.39 -1.36 113.70 117.45 1xf5 s SER 22 Ca 0.19 -0.63 -0.06 0.00 0.70 0.00 0.00 55.95 56.15 1xf5 s SER 22 Cb -0.11 -0.33 0.06 0.00 -1.71 0.00 0.00 66.02 63.93 1xf5 s SER 22 CO 0.10 0.22 0.31 0.00 1.20 0.00 0.00 173.24 175.07 1xf5 s LYS 24 N 1.59 1.08 0.11 0.00 1.02 0.17 -0.96 119.74 122.75 1xf5 s LYS 24 Ca -0.07 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.55 1xf5 s LYS 24 Cb -0.10 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.17 1xf5 s LYS 24 CO -0.10 0.17 0.24 -1.54 -0.92 0.00 0.00 175.35 173.20 1xf5 s SER 25 N 0.05 6.30 0.04 2.83 1.04 -0.29 0.24 113.70 123.91 1xf5 s SER 25 Ca -0.01 0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.63 1xf5 s SER 25 Cb -0.08 -1.91 0.06 0.00 0.10 0.00 0.00 66.02 64.19 1xf5 s SER 25 CO 0.00 0.11 0.72 -1.54 0.98 0.00 0.00 173.24 173.52 1xf5 n SER 26 N -0.15 0.03 0.00 7.02 3.41 -0.04 -4.73 113.62 119.16 1xf5 n SER 26 Ca -0.06 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1xf5 n SER 26 Cb 0.53 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1xf5 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xf5 n GLN 27 N -1.27 -2.21 -4.10 4.33 6.02 -1.26 -4.93 117.38 113.95 1xf5 n GLN 27 Ca -0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1xf5 n GLN 27 Cb 0.35 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.45 1xf5 n GLN 27 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xf5 s SER 28 N 0.00 3.12 0.00 1.08 0.15 -1.23 -4.68 113.70 112.14 1xf5 s SER 28 Ca 0.00 -0.66 0.26 0.00 0.70 0.00 0.00 55.95 56.25 1xf5 s SER 28 Cb 0.00 -1.44 0.60 0.00 -1.71 0.00 0.00 66.02 63.47 1xf5 s SER 28 CO 0.00 -0.02 1.49 0.18 1.20 0.00 0.00 173.24 176.09 1xf5 n LEU 29 N 4.63 2.17 -4.55 3.45 4.77 -0.78 -4.98 117.00 121.72 1xf5 n LEU 29 Ca -0.20 -0.72 -0.42 0.00 -0.03 0.00 0.00 56.01 54.63 1xf5 n LEU 29 Cb 0.50 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1xf5 n LEU 29 CO 0.25 0.37 0.34 -0.22 -1.33 0.00 0.00 177.39 176.80 1xf5 s LEU 30 N -2.05 4.38 0.11 2.23 2.96 -1.26 -2.26 118.68 122.79 1xf5 s LEU 30 Ca 0.32 -0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.84 1xf5 s LEU 30 Cb 0.20 -2.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.12 1xf5 s LEU 30 CO 0.34 -0.64 1.17 0.21 -1.32 0.00 0.00 176.35 176.11 1xf5 s ASN 31 N 1.86 7.13 0.08 3.68 3.84 0.15 -4.92 114.94 126.76 1xf5 s ASN 31 Ca 0.22 2.06 -0.24 0.00 0.21 0.00 0.00 52.86 55.11 1xf5 s ASN 31 Cb -0.15 -2.59 -0.16 0.00 -0.55 0.00 0.00 41.25 37.81 1xf5 s ASN 31 CO 0.16 -0.39 1.69 0.28 -2.79 0.00 0.00 177.10 176.04 1xf5 h SER 32 N 6.17 -0.05 -0.05 -4.21 0.02 -1.95 -1.58 113.55 111.90 1xf5 h SER 32 Ca -0.43 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.38 1xf5 h SER 32 Cb 1.21 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.77 1xf5 h SER 32 CO 0.78 0.01 -0.37 0.03 -1.14 0.00 0.00 176.83 176.14 1xf5 h ARG 33 N -0.11 0.34 0.00 3.45 2.47 -1.98 -3.30 114.38 115.25 1xf5 h ARG 33 Ca -0.01 -0.30 -0.05 0.00 -1.26 0.00 0.00 59.98 58.37 1xf5 h ARG 33 Cb 0.09 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1xf5 h ARG 33 CO 0.01 0.95 -0.23 1.79 0.56 0.00 0.00 179.97 183.06 1xf5 h THR 34 N -0.17 0.47 -2.63 2.04 1.35 -1.98 -3.46 112.91 108.53 1xf5 h THR 34 Ca -0.03 -1.28 -0.27 0.00 -0.55 0.00 0.00 66.41 64.28 1xf5 h THR 34 Cb 1.04 1.92 0.02 0.00 -1.73 0.00 0.00 68.15 69.40 1xf5 h THR 34 CO 0.08 0.22 -0.38 0.54 -0.25 0.00 0.00 175.52 175.72 1xf5 n ARG 35 N -3.28 -2.34 -4.58 4.72 1.74 -0.59 -5.01 116.66 107.33 1xf5 n ARG 35 Ca 0.01 0.63 -0.30 0.00 -0.77 0.00 0.00 57.85 57.42 1xf5 n ARG 35 Cb 0.50 -4.88 -0.12 0.00 -1.02 0.00 0.00 32.46 26.94 1xf5 n ARG 35 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1xf5 s LYS 36 N -5.04 1.97 -0.24 5.56 -0.14 -1.23 -4.92 119.74 115.69 1xf5 s LYS 36 Ca 0.11 -1.05 -0.07 0.00 -1.36 0.00 0.00 55.97 53.61 1xf5 s LYS 36 Cb -0.05 -2.15 -0.03 0.00 -1.68 0.00 0.00 37.83 33.92 1xf5 s LYS 36 CO 0.14 0.52 0.05 -0.80 -0.76 0.00 0.00 175.35 174.51 1xf5 s ASN 37 N -1.61 5.00 -1.32 2.83 -0.87 -1.25 -0.67 114.94 117.05 1xf5 s ASN 37 Ca 0.15 -0.23 -0.08 0.00 -1.57 0.00 0.00 52.86 51.13 1xf5 s ASN 37 Cb -0.10 -1.89 0.13 0.00 -0.02 0.00 0.00 41.25 39.36 1xf5 s ASN 37 CO 0.06 -0.03 2.17 -1.22 -2.57 0.00 0.00 177.10 175.51 1xf5 n TYR 38 N 4.89 2.75 -4.69 2.20 4.01 -0.96 -3.32 117.16 122.04 1xf5 n TYR 38 Ca -0.16 -2.82 -0.30 0.00 -0.16 0.00 0.00 57.90 54.46 1xf5 n TYR 38 Cb 0.51 -1.92 -0.17 0.00 -0.31 0.00 0.00 39.34 37.45 1xf5 n TYR 38 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xf5 s LEU 39 N -1.04 1.88 0.16 7.72 1.98 -1.26 -0.87 118.68 127.25 1xf5 s LEU 39 Ca 0.48 -0.48 0.09 0.00 -2.89 0.00 0.00 54.13 51.32 1xf5 s LEU 39 Cb 0.14 -1.21 -0.04 0.00 0.66 0.00 0.00 46.19 45.74 1xf5 s LEU 39 CO -0.05 0.06 -0.19 0.00 -1.89 0.00 0.00 176.35 174.29 1xf5 s ALA 40 N 0.76 2.02 -0.08 5.97 0.00 -0.63 -1.25 121.76 128.55 1xf5 s ALA 40 Ca -0.10 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.42 1xf5 s ALA 40 Cb -0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1xf5 s ALA 40 CO 0.01 0.27 -0.17 -1.58 0.00 0.00 0.00 175.76 174.29 1xf5 s TRP 41 N -1.90 2.67 0.09 0.00 0.52 -0.14 -0.72 118.94 119.46 1xf5 s TRP 41 Ca 0.15 -0.52 0.08 0.00 0.02 0.00 0.00 56.10 55.84 1xf5 s TRP 41 Cb -0.06 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 1xf5 s TRP 41 CO 0.06 -0.09 -0.22 0.71 0.02 0.00 0.00 176.95 177.44 1xf5 s TYR 42 N -0.15 1.89 -0.09 -1.98 1.51 0.14 -0.11 117.35 118.55 1xf5 s TYR 42 Ca -0.02 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 1xf5 s TYR 42 Cb -0.14 -1.05 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1xf5 s TYR 42 CO 0.04 0.20 -0.16 -1.14 -1.11 0.00 0.00 175.55 173.38 1xf5 s GLN 43 N -1.78 2.91 -0.06 -0.62 0.74 0.58 -0.71 119.66 120.72 1xf5 s GLN 43 Ca 0.08 -0.74 -0.00 0.00 0.05 0.00 0.00 55.36 54.75 1xf5 s GLN 43 Cb -0.10 -2.44 0.03 0.00 1.10 0.00 0.00 33.01 31.60 1xf5 s GLN 43 CO 0.04 0.39 -0.02 -1.14 -0.55 0.00 0.00 175.29 174.01 1xf5 s GLN 44 N -0.12 0.71 0.23 1.67 0.74 -0.14 -0.48 119.66 122.26 1xf5 s GLN 44 Ca -0.02 0.01 0.04 0.00 0.05 0.00 0.00 55.36 55.44 1xf5 s GLN 44 Cb -0.14 -0.92 -0.03 0.00 1.10 0.00 0.00 33.01 33.03 1xf5 s GLN 44 CO 0.04 -0.21 0.35 0.15 -0.55 0.00 0.00 175.29 175.07 1xf5 s LYS 45 N 1.50 3.44 -0.03 1.67 1.02 -1.26 -0.91 119.74 125.17 1xf5 s LYS 45 Ca -0.02 -0.70 -0.38 0.00 0.02 0.00 0.00 55.97 54.89 1xf5 s LYS 45 Cb -0.13 -2.90 -0.17 0.00 -0.52 0.00 0.00 37.83 34.12 1xf5 s LYS 45 CO -0.03 0.44 1.45 -2.30 -0.92 0.00 0.00 175.35 173.98 1xf5 n PRO 46 N -1.24 1.08 0.00 -1.68 -0.02 -1.26 -1.39 135.00 130.48 1xf5 n PRO 46 Ca -0.08 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1xf5 n PRO 46 Cb 0.56 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1xf5 n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xf5 n GLY 47 N 2.97 1.94 3.94 -1.23 0.00 -1.26 -4.98 105.19 106.58 1xf5 n GLY 47 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1xf5 n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xf5 s GLN 48 N 0.00 3.17 0.57 1.61 -0.21 -0.49 -5.10 119.66 119.21 1xf5 s GLN 48 Ca 0.00 -0.37 -0.05 0.00 0.02 0.00 0.00 55.36 54.96 1xf5 s GLN 48 Cb 0.00 -2.54 0.01 0.00 1.00 0.00 0.00 33.01 31.47 1xf5 s GLN 48 CO 0.00 -0.22 0.86 -1.54 -2.12 0.00 0.00 175.29 172.27 1xf5 s SER 49 N -4.18 5.63 0.84 5.90 1.04 -1.26 -4.60 113.70 117.06 1xf5 s SER 49 Ca 0.47 0.63 -0.10 0.00 0.48 0.00 0.00 55.95 57.43 1xf5 s SER 49 Cb -0.10 -1.66 0.10 0.00 0.10 0.00 0.00 66.02 64.45 1xf5 s SER 49 CO 0.39 -1.00 1.12 -2.84 0.98 0.00 0.00 173.24 171.88 1xf5 s PRO 50 N -4.91 1.68 -0.08 4.02 0.02 -1.26 -4.63 135.00 129.84 1xf5 s PRO 50 Ca 0.53 1.36 -0.03 0.00 0.02 0.00 0.00 61.00 62.87 1xf5 s PRO 50 Cb -0.10 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.64 1xf5 s PRO 50 CO 0.44 -2.11 0.13 0.21 -0.33 0.00 0.00 177.00 175.34 1xf5 s LYS 51 N -4.77 0.01 0.57 5.54 2.20 0.37 -4.94 119.74 118.72 1xf5 s LYS 51 Ca 0.64 0.48 -0.20 0.00 -0.36 0.00 0.00 55.97 56.52 1xf5 s LYS 51 Cb -0.20 -0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 35.65 1xf5 s LYS 51 CO 0.57 -0.34 1.31 0.54 -0.36 0.00 0.00 175.35 177.07 1xf5 s VAL 52 N 2.25 2.18 0.00 4.02 0.11 -1.26 -0.31 120.40 127.40 1xf5 s VAL 52 Ca 0.04 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1xf5 s VAL 52 Cb -0.12 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 1xf5 s VAL 52 CO -0.05 -0.01 0.00 0.18 -3.33 0.00 0.00 175.10 171.89 1xf5 n LEU 53 N -1.29 1.25 -4.06 2.54 4.77 0.85 -4.82 117.00 116.23 1xf5 n LEU 53 Ca 0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 1xf5 n LEU 53 Cb 0.46 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 1xf5 n LEU 53 CO 0.50 0.17 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.68 1xf5 s ILE 54 N -1.94 0.71 0.30 -0.08 -1.09 -1.12 -1.16 121.20 116.81 1xf5 s ILE 54 Ca 0.00 -0.80 0.04 0.00 -2.23 0.00 0.00 60.65 57.67 1xf5 s ILE 54 Cb 0.00 -0.67 -0.03 0.00 -1.58 0.00 0.00 42.46 40.17 1xf5 s ILE 54 CO 0.00 -0.10 0.22 -0.72 -1.23 0.00 0.00 174.94 173.11 1xf5 s TYR 55 N -0.82 1.58 0.00 3.97 1.13 -0.64 -0.97 117.35 121.60 1xf5 s TYR 55 Ca -0.02 -1.53 0.00 0.00 -1.41 0.00 0.00 57.07 54.11 1xf5 s TYR 55 Cb -0.07 -0.72 0.00 0.00 -1.10 0.00 0.00 41.96 40.07 1xf5 s TYR 55 CO 0.00 -0.73 0.00 0.91 -2.51 0.00 0.00 175.55 173.22 1xf5 n TRP 56 N -0.54 0.00 -0.14 -3.49 8.01 -1.23 0.35 117.44 120.40 1xf5 n TRP 56 Ca 0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 1xf5 n TRP 56 Cb 0.64 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.94 1xf5 n TRP 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1xf5 n ALA 57 N -0.21 0.00 -0.04 6.99 0.00 -0.38 -3.84 120.51 123.03 1xf5 n ALA 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xf5 n ALA 57 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1xf5 n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xf5 n SER 58 N 0.00 0.00 -4.58 0.00 3.41 -0.99 -3.64 113.62 107.82 1xf5 n SER 58 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1xf5 n SER 58 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1xf5 n SER 58 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1xf5 s THR 59 N 0.00 4.78 0.11 6.66 2.01 0.15 -4.59 115.64 124.77 1xf5 s THR 59 Ca 0.00 0.73 -0.31 0.00 0.31 0.00 0.00 61.69 62.42 1xf5 s THR 59 Cb 0.00 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.25 1xf5 s THR 59 CO 0.00 -0.42 1.44 -0.60 -0.69 0.00 0.00 174.62 174.35 1xf5 s ARG 60 N 2.97 4.29 0.66 4.92 3.52 -1.26 -1.62 118.95 132.42 1xf5 s ARG 60 Ca 0.29 2.14 -0.17 0.00 -0.13 0.00 0.00 55.73 57.86 1xf5 s ARG 60 Cb -0.14 -3.27 -0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1xf5 s ARG 60 CO 0.17 -0.50 1.24 -2.00 -0.81 0.00 0.00 175.30 173.39 1xf5 s GLU 61 N 1.30 2.56 0.35 5.12 2.56 -0.31 -4.93 118.70 125.34 1xf5 s GLU 61 Ca 0.66 1.88 -0.28 0.00 0.00 0.00 0.00 54.97 57.23 1xf5 s GLU 61 Cb -0.38 -1.87 -0.11 0.00 2.00 0.00 0.00 34.13 33.77 1xf5 s GLU 61 CO 0.30 -1.54 1.37 0.45 -0.56 0.00 0.00 175.26 175.28 1xf5 s SER 62 N -1.67 6.63 0.00 -1.70 0.15 -1.26 -2.63 113.70 113.22 1xf5 s SER 62 Ca 0.78 2.81 0.00 0.00 0.70 0.00 0.00 55.95 60.24 1xf5 s SER 62 Cb -0.32 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.33 1xf5 s SER 62 CO 0.39 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1xf5 n GLY 63 N 0.70 2.42 3.71 9.45 0.00 -1.26 -5.04 105.19 115.17 1xf5 n GLY 63 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1xf5 n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf5 s VAL 64 N -2.29 5.07 0.54 1.61 1.01 -1.08 -5.04 120.40 120.22 1xf5 s VAL 64 Ca 0.00 1.31 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 1xf5 s VAL 64 Cb 0.00 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1xf5 s VAL 64 CO 0.00 0.24 1.37 -0.81 0.00 0.00 0.00 175.10 175.90 1xf5 n PRO 65 N 3.95 1.73 0.00 2.72 -0.04 -1.26 -4.86 135.00 137.25 1xf5 n PRO 65 Ca -0.02 0.64 0.01 0.00 -0.04 0.00 0.00 63.50 64.08 1xf5 n PRO 65 Cb 0.51 -2.59 0.03 0.00 -0.04 0.00 0.00 33.50 31.41 1xf5 n PRO 65 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xf5 n ASP 66 N -0.96 0.00 -0.08 3.54 3.85 -1.26 -2.33 116.55 119.31 1xf5 n ASP 66 Ca 0.10 0.43 0.14 0.00 -0.71 0.00 0.00 54.79 54.75 1xf5 n ASP 66 Cb 0.44 -0.43 0.54 0.00 -1.35 0.00 0.00 41.12 40.32 1xf5 n ASP 66 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 1xf5 h ARG 67 N 0.00 0.32 -5.93 0.11 3.08 -1.93 -3.40 114.38 106.63 1xf5 h ARG 67 Ca 0.00 -0.02 -0.57 0.00 0.07 0.00 0.00 59.98 59.46 1xf5 h ARG 67 Cb 0.02 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 1xf5 h ARG 67 CO 0.00 0.21 -0.06 -0.06 -1.07 0.00 0.00 179.97 178.99 1xf5 s PHE 68 N -5.32 3.59 -0.04 3.04 0.08 -0.98 -1.36 117.98 117.00 1xf5 s PHE 68 Ca -0.07 1.07 -0.01 0.00 0.12 0.00 0.00 56.93 58.04 1xf5 s PHE 68 Cb 0.20 -2.61 0.03 0.00 -0.57 0.00 0.00 43.02 40.07 1xf5 s PHE 68 CO 0.75 0.24 0.06 0.99 -0.10 0.00 0.00 175.22 177.16 1xf5 s THR 69 N 0.29 -0.09 -0.16 0.64 2.01 0.04 -4.96 115.64 113.41 1xf5 s THR 69 Ca 0.30 0.30 -0.07 0.00 0.31 0.00 0.00 61.69 62.52 1xf5 s THR 69 Cb -0.17 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1xf5 s THR 69 CO 0.14 0.12 0.10 -0.83 -0.69 0.00 0.00 174.62 173.47 1xf5 s GLY 70 N 1.56 2.02 0.41 4.40 0.00 -1.26 -1.10 107.32 113.35 1xf5 s GLY 70 Ca -0.03 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 44.03 1xf5 s GLY 70 CO -0.03 -0.13 0.15 0.50 0.00 0.00 0.00 173.10 173.58 1xf5 s ARG 71 N -0.22 1.94 0.00 2.90 0.52 -0.49 -4.09 118.95 119.51 1xf5 s ARG 71 Ca 0.09 -2.19 0.00 0.00 -0.52 0.00 0.00 55.73 53.12 1xf5 s ARG 71 Cb -0.12 -0.52 0.00 0.00 0.52 0.00 0.00 34.95 34.83 1xf5 s ARG 71 CO 0.01 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.22 1xf5 n GLY 72 N -0.91 2.03 3.64 -3.53 0.00 -1.26 -1.94 105.19 103.23 1xf5 n GLY 72 Ca -0.05 -2.01 -0.04 0.00 0.00 0.00 0.00 46.02 43.92 1xf5 n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xf5 s SER 73 N 0.00 -0.37 0.00 1.61 0.15 -0.89 -4.93 113.70 109.28 1xf5 s SER 73 Ca 0.00 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1xf5 s SER 73 Cb 0.00 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 1xf5 s SER 73 CO 0.00 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1xf5 n GLY 74 N 2.83 0.68 0.00 9.45 0.00 -1.26 -4.07 105.19 112.83 1xf5 n GLY 74 Ca -0.15 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1xf5 n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xf5 n THR 75 N 0.00 0.00 -3.96 2.61 -2.24 -1.26 -1.87 114.28 107.55 1xf5 n THR 75 Ca 0.00 -0.21 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 1xf5 n THR 75 Cb 0.00 1.19 -0.14 0.00 -2.10 0.00 0.00 70.33 69.27 1xf5 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xf5 s ASP 76 N -0.29 4.39 0.13 3.42 -0.00 -1.26 -1.14 116.67 121.92 1xf5 s ASP 76 Ca 0.00 -0.97 0.05 0.00 -0.00 0.00 0.00 52.55 51.63 1xf5 s ASP 76 Cb 0.00 -1.66 -0.04 0.00 -0.00 0.00 0.00 42.92 41.22 1xf5 s ASP 76 CO 0.00 -0.15 -0.12 -0.36 -0.00 0.00 0.00 175.17 174.54 1xf5 s PHE 77 N 1.29 1.29 0.03 4.23 0.08 -0.13 -2.09 117.98 122.69 1xf5 s PHE 77 Ca -0.01 -0.65 -0.07 0.00 0.12 0.00 0.00 56.93 56.32 1xf5 s PHE 77 Cb -0.17 -0.67 -0.01 0.00 -0.57 0.00 0.00 43.02 41.60 1xf5 s PHE 77 CO -0.04 0.10 0.13 0.95 -0.10 0.00 0.00 175.22 176.26 1xf5 s THR 78 N -2.65 0.12 -0.04 0.64 -4.23 -0.82 -1.31 115.64 107.35 1xf5 s THR 78 Ca 0.11 -0.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.69 1xf5 s THR 78 Cb -0.02 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.97 1xf5 s THR 78 CO 0.02 -0.54 -0.21 -0.22 -0.54 0.00 0.00 174.62 173.13 1xf5 s LEU 79 N -2.03 1.99 0.01 4.79 2.96 -0.46 -1.40 118.68 124.54 1xf5 s LEU 79 Ca -0.06 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1xf5 s LEU 79 Cb -0.02 -1.14 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 1xf5 s LEU 79 CO -0.04 0.21 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.20 1xf5 s THR 80 N -0.13 0.87 -0.23 3.68 2.01 -0.26 -0.49 115.64 121.10 1xf5 s THR 80 Ca -0.02 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1xf5 s THR 80 Cb -0.12 -0.77 0.06 0.00 0.01 0.00 0.00 72.50 71.68 1xf5 s THR 80 CO 0.02 0.10 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.38 1xf5 s ILE 81 N -0.53 1.44 0.13 1.82 1.09 -0.86 -0.78 121.20 123.51 1xf5 s ILE 81 Ca 0.02 -1.13 -0.12 0.00 -1.10 0.00 0.00 60.65 58.32 1xf5 s ILE 81 Cb -0.06 -1.71 -0.04 0.00 -1.06 0.00 0.00 42.46 39.60 1xf5 s ILE 81 CO 0.00 -0.08 1.49 0.77 -0.10 0.00 0.00 174.94 177.02 1xf5 h SER 82 N 7.99 0.90 -2.19 3.58 4.64 -1.48 -1.43 113.55 125.56 1xf5 h SER 82 Ca -0.19 -0.43 -0.58 0.00 -0.47 0.00 0.00 61.79 60.12 1xf5 h SER 82 Cb 1.08 -0.25 -0.41 0.00 -0.31 0.00 0.00 62.40 62.51 1xf5 h SER 82 CO 0.41 1.14 -0.83 -0.24 -0.87 0.00 0.00 176.83 176.44 1xf5 n SER 83 N -4.18 1.96 -4.65 4.97 2.88 -1.25 -3.32 113.62 110.02 1xf5 n SER 83 Ca -0.02 -3.05 -0.50 0.00 -1.33 0.00 0.00 58.87 53.97 1xf5 n SER 83 Cb 0.47 -0.66 -0.05 0.00 -0.75 0.00 0.00 64.21 63.22 1xf5 n SER 83 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1xf5 n VAL 84 N 1.29 0.16 -4.65 2.46 0.31 -0.73 -4.50 118.33 112.67 1xf5 n VAL 84 Ca 0.26 -0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 64.26 1xf5 n VAL 84 Cb 0.46 -1.32 -0.10 0.00 -0.91 0.00 0.00 33.84 31.97 1xf5 n VAL 84 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1xf5 s GLN 85 N 1.83 2.02 0.45 5.55 -0.21 -1.26 -0.24 119.66 127.80 1xf5 s GLN 85 Ca 0.87 -2.20 0.12 0.00 0.02 0.00 0.00 55.36 54.17 1xf5 s GLN 85 Cb -0.84 -1.52 1.02 0.00 1.00 0.00 0.00 33.01 32.67 1xf5 s GLN 85 CO 0.48 -0.18 2.04 0.00 -2.12 0.00 0.00 175.29 175.52 1xf5 h ALA 86 N 1.65 1.76 0.00 6.09 0.00 -1.91 -2.06 119.26 124.79 1xf5 h ALA 86 Ca -0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xf5 h ALA 86 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xf5 h ALA 86 CO 0.77 0.18 0.00 -0.85 0.00 0.00 0.00 179.25 179.36 1xf5 n GLU 87 N -4.42 0.59 0.00 0.00 0.28 -1.26 -2.04 120.64 113.79 1xf5 n GLU 87 Ca -0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.07 1xf5 n GLU 87 Cb 0.16 -1.08 -0.10 0.00 1.43 0.00 0.00 31.44 31.85 1xf5 n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1xf5 n ASP 88 N -0.58 0.87 -4.59 -1.84 10.43 -0.78 -4.93 116.55 115.14 1xf5 n ASP 88 Ca 0.02 -0.94 -0.45 0.00 2.57 0.00 0.00 54.79 56.00 1xf5 n ASP 88 Cb 0.01 0.99 -0.04 0.00 1.84 0.00 0.00 41.12 43.92 1xf5 n ASP 88 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xf5 n GLN 89 N -1.39 1.98 -3.61 -1.24 6.02 -0.87 -4.81 117.38 113.47 1xf5 n GLN 89 Ca 0.03 0.61 0.04 0.00 -0.01 0.00 0.00 57.00 57.67 1xf5 n GLN 89 Cb 0.28 -3.00 0.01 0.00 1.02 0.00 0.00 30.24 28.56 1xf5 n GLN 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xf5 n ALA 90 N 10.09 -3.11 -2.77 -1.58 0.00 -1.06 -4.77 120.51 117.31 1xf5 n ALA 90 Ca 0.29 -0.57 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 1xf5 n ALA 90 Cb 0.38 -0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 1xf5 n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xf5 s VAL 91 N -2.00 4.76 -0.10 0.00 1.01 -0.09 -0.67 120.40 123.31 1xf5 s VAL 91 Ca 0.26 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1xf5 s VAL 91 Cb -0.00 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1xf5 s VAL 91 CO -0.02 0.52 -0.21 -0.31 0.00 0.00 0.00 175.10 175.08 1xf5 s TYR 92 N -1.03 2.62 0.03 5.22 1.51 -0.23 -0.97 117.35 124.49 1xf5 s TYR 92 Ca 0.17 -0.90 0.09 0.00 -1.01 0.00 0.00 57.07 55.42 1xf5 s TYR 92 Cb -0.12 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 1xf5 s TYR 92 CO 0.07 -0.33 -0.26 0.71 -1.11 0.00 0.00 175.55 174.62 1xf5 s TYR 93 N 0.27 2.34 0.06 2.71 1.51 0.11 -1.28 117.35 123.07 1xf5 s TYR 93 Ca -0.15 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1xf5 s TYR 93 Cb -0.17 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1xf5 s TYR 93 CO 0.07 0.09 0.02 0.00 -1.11 0.00 0.00 175.55 174.63 1xf5 s LYS 95 N -2.11 0.12 -0.13 0.00 2.20 0.10 -0.97 119.74 118.95 1xf5 s LYS 95 Ca 0.25 0.11 -0.09 0.00 -0.36 0.00 0.00 55.97 55.87 1xf5 s LYS 95 Cb -0.12 -0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 35.83 1xf5 s LYS 95 CO 0.17 -0.13 0.18 1.14 -0.36 0.00 0.00 175.35 176.36 1xf5 s GLN 96 N 0.90 3.78 -0.10 4.03 1.03 -0.41 -1.60 119.66 127.28 1xf5 s GLN 96 Ca -0.08 -0.07 0.17 0.00 0.04 0.00 0.00 55.36 55.41 1xf5 s GLN 96 Cb -0.12 -3.28 0.36 0.00 0.03 0.00 0.00 33.01 30.01 1xf5 s GLN 96 CO -0.02 0.59 1.17 0.00 -2.54 0.00 0.00 175.29 174.48 1xf5 n ALA 97 N 2.54 2.83 0.01 2.60 0.00 -0.05 -2.82 120.51 125.62 1xf5 n ALA 97 Ca -0.17 -2.62 -0.11 0.00 0.00 0.00 0.00 53.44 50.54 1xf5 n ALA 97 Cb 0.54 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 1xf5 n ALA 97 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1xf5 h TYR 98 N 0.78 -0.11 -3.24 0.00 3.20 -1.92 -3.45 116.97 112.24 1xf5 h TYR 98 Ca -0.09 -0.00 -0.48 0.00 3.14 0.00 0.00 58.73 61.30 1xf5 h TYR 98 Cb 1.39 0.03 -0.37 0.00 1.54 0.00 0.00 36.73 39.32 1xf5 h TYR 98 CO 0.38 0.44 -0.78 0.42 -1.64 0.00 0.00 178.16 176.98 1xf5 s ILE 99 N -3.25 0.70 0.77 1.81 1.01 -1.26 -5.09 121.20 115.89 1xf5 s ILE 99 Ca -0.14 -0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 1xf5 s ILE 99 Cb -0.00 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.75 1xf5 s ILE 99 CO 0.54 0.31 1.13 -2.65 0.00 0.00 0.00 174.94 174.27 1xf5 n PRO 100 N 4.95 0.35 -2.29 2.79 -0.02 -1.26 -4.46 135.00 135.06 1xf5 n PRO 100 Ca -0.11 0.19 -0.33 0.00 -2.02 0.00 0.00 63.50 61.23 1xf5 n PRO 100 Cb 0.50 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1xf5 n PRO 100 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xf5 s PRO 101 N -3.83 3.60 0.08 0.52 0.04 -1.26 -4.89 135.00 129.26 1xf5 s PRO 101 Ca 0.74 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 1xf5 s PRO 101 Cb -0.31 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 1xf5 s PRO 101 CO 0.50 -0.58 1.47 -0.51 0.04 0.00 0.00 177.00 177.92 1xf5 s LEU 102 N -4.05 4.36 0.07 -3.56 1.43 -1.26 -4.73 118.68 110.93 1xf5 s LEU 102 Ca 0.64 2.35 0.09 0.00 -1.03 0.00 0.00 54.13 56.18 1xf5 s LEU 102 Cb -0.15 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1xf5 s LEU 102 CO 0.30 -0.74 -0.25 0.42 0.23 0.00 0.00 176.35 176.31 1xf5 s THR 103 N 1.77 2.33 0.18 5.49 -4.23 -1.13 -4.97 115.64 115.09 1xf5 s THR 103 Ca 0.67 -1.46 0.07 0.00 -1.18 0.00 0.00 61.69 59.80 1xf5 s THR 103 Cb -0.37 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1xf5 s THR 103 CO 0.30 0.27 0.01 -0.36 -0.54 0.00 0.00 174.62 174.30 1xf5 s PHE 104 N -0.91 2.86 0.86 3.99 0.40 -1.26 -1.29 117.98 122.63 1xf5 s PHE 104 Ca 0.13 -0.14 -0.13 0.00 -0.60 0.00 0.00 56.93 56.20 1xf5 s PHE 104 Cb -0.10 -1.37 0.11 0.00 0.51 0.00 0.00 43.02 42.17 1xf5 s PHE 104 CO 0.04 0.53 1.20 0.20 0.70 0.00 0.00 175.22 177.88 1xf5 s GLY 105 N -3.04 1.62 0.11 4.36 0.00 -0.14 -4.60 107.32 105.64 1xf5 s GLY 105 Ca 0.28 -0.73 0.22 0.00 0.00 0.00 0.00 44.72 44.49 1xf5 s GLY 105 CO 0.19 -0.18 1.67 0.00 0.00 0.00 0.00 173.10 174.79 1xf5 n ALA 106 N -3.49 1.87 0.00 3.20 0.00 -1.26 -4.76 120.51 116.07 1xf5 n ALA 106 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1xf5 n ALA 106 Cb 0.60 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1xf5 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xf5 n GLY 107 N 0.46 0.68 2.90 0.00 0.00 -1.26 -5.02 105.19 102.96 1xf5 n GLY 107 Ca 0.04 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 1xf5 n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xf5 s THR 108 N -2.83 1.08 0.07 2.61 2.01 -0.40 -4.76 115.64 113.42 1xf5 s THR 108 Ca 0.00 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 1xf5 s THR 108 Cb 0.00 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 1xf5 s THR 108 CO 0.00 0.23 0.99 -0.75 -0.69 0.00 0.00 174.62 174.40 1xf5 s LYS 109 N 1.66 4.62 -0.19 4.92 2.20 -0.65 -1.07 119.74 131.23 1xf5 s LYS 109 Ca 0.03 1.48 0.01 0.00 -0.36 0.00 0.00 55.97 57.12 1xf5 s LYS 109 Cb -0.14 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1xf5 s LYS 109 CO -0.08 0.07 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.63 1xf5 s LEU 110 N 0.45 2.29 0.31 5.43 2.96 0.16 -0.11 118.68 130.17 1xf5 s LEU 110 Ca 0.50 -0.75 0.10 0.00 -0.22 0.00 0.00 54.13 53.76 1xf5 s LEU 110 Cb -0.23 -1.47 -0.06 0.00 0.50 0.00 0.00 46.19 44.93 1xf5 s LEU 110 CO 0.29 -0.03 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.56 1xf5 s GLU 111 N 1.27 1.72 0.09 1.98 2.02 0.55 -2.55 118.70 123.79 1xf5 s GLU 111 Ca 0.03 -1.86 0.01 0.00 0.02 0.00 0.00 54.97 53.17 1xf5 s GLU 111 Cb -0.14 -1.63 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 1xf5 s GLU 111 CO -0.12 0.18 0.23 -1.17 0.02 0.00 0.00 175.26 174.40 1xf5 s LEU 112 N -3.55 4.31 -0.08 1.80 2.96 -1.26 -2.09 118.68 120.77 1xf5 s LEU 112 Ca 0.31 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1xf5 s LEU 112 Cb 0.00 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 1xf5 s LEU 112 CO 0.15 0.13 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.72 1xf5 s LYS 113 N -2.75 2.88 0.24 1.98 1.02 0.20 -4.76 119.74 118.55 1xf5 s LYS 113 Ca 0.34 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.83 1xf5 s LYS 113 Cb -0.12 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1xf5 s LYS 113 CO 0.28 0.64 0.31 2.89 -0.92 0.00 0.00 175.35 178.55 1xf5 n ARG 114 N 2.29 0.45 -2.20 1.68 1.85 -1.26 -4.12 116.66 115.35 1xf5 n ARG 114 Ca -0.18 -2.04 -0.36 0.00 -1.00 0.00 0.00 57.85 54.27 1xf5 n ARG 114 Cb 0.53 1.90 0.01 0.00 -1.05 0.00 0.00 32.46 33.84 1xf5 n ARG 114 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xf5 s ALA 115 N -2.54 2.71 0.67 2.89 0.00 -1.26 -4.95 121.76 119.29 1xf5 s ALA 115 Ca 0.22 0.89 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 1xf5 s ALA 115 Cb -0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1xf5 s ALA 115 CO 0.16 -0.84 1.21 -0.51 0.00 0.00 0.00 175.76 175.78 1xf5 s ASP 116 N -1.66 4.64 -0.13 0.00 -0.00 -1.26 -4.82 116.67 113.44 1xf5 s ASP 116 Ca 0.72 2.37 -0.08 0.00 -0.00 0.00 0.00 52.55 55.56 1xf5 s ASP 116 Cb -0.26 -2.59 0.05 0.00 -0.00 0.00 0.00 42.92 40.11 1xf5 s ASP 116 CO 0.30 -1.96 0.30 0.00 -0.00 0.00 0.00 175.17 173.81 1xf5 s ALA 117 N -1.82 -0.74 0.34 5.23 0.00 -0.15 -4.90 121.76 119.72 1xf5 s ALA 117 Ca 0.76 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 53.63 1xf5 s ALA 117 Cb -0.30 -0.68 -0.10 0.00 0.00 0.00 0.00 23.12 22.04 1xf5 s ALA 117 CO 0.40 -0.20 0.85 0.00 0.00 0.00 0.00 175.76 176.80 1xf5 s ALA 118 N 1.04 3.22 0.30 0.00 0.00 -1.26 -0.61 121.76 124.44 1xf5 s ALA 118 Ca -0.07 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 1xf5 s ALA 118 Cb -0.08 -2.98 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 1xf5 s ALA 118 CO -0.08 0.23 1.42 -2.14 0.00 0.00 0.00 175.76 175.19 1xf5 s PRO 119 N -2.73 4.26 -0.38 0.00 0.02 -1.26 -4.59 135.00 130.30 1xf5 s PRO 119 Ca 0.54 2.34 -0.14 0.00 0.02 0.00 0.00 61.00 63.77 1xf5 s PRO 119 Cb -0.12 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.34 1xf5 s PRO 119 CO 0.17 -0.38 0.28 -0.08 -0.33 0.00 0.00 177.00 176.66 1xf5 s THR 120 N -0.57 5.27 -0.13 0.99 -1.32 -0.86 -4.91 115.64 114.11 1xf5 s THR 120 Ca 0.55 -0.49 -0.09 0.00 -1.21 0.00 0.00 61.69 60.46 1xf5 s THR 120 Cb -0.42 -3.85 -0.04 0.00 -1.51 0.00 0.00 72.50 66.67 1xf5 s THR 120 CO 0.50 -0.20 0.17 -0.69 -2.21 0.00 0.00 174.62 172.19 1xf5 s VAL 121 N 1.71 5.44 0.04 5.08 1.01 -1.26 -2.17 120.40 130.25 1xf5 s VAL 121 Ca 0.06 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.34 1xf5 s VAL 121 Cb -0.18 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1xf5 s VAL 121 CO 0.10 0.56 -0.12 -0.44 0.00 0.00 0.00 175.10 175.21 1xf5 s SER 122 N -0.63 1.37 0.00 3.32 0.01 -0.56 -4.98 113.70 112.24 1xf5 s SER 122 Ca 0.14 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 57.01 1xf5 s SER 122 Cb -0.12 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 1xf5 s SER 122 CO 0.03 -0.01 -0.14 -0.51 0.41 0.00 0.00 173.24 173.02 1xf5 s ILE 123 N -0.88 1.12 -0.08 1.44 2.07 -1.26 -0.53 121.20 123.08 1xf5 s ILE 123 Ca -0.01 -0.70 0.01 0.00 -1.41 0.00 0.00 60.65 58.54 1xf5 s ILE 123 Cb -0.08 -0.95 0.02 0.00 0.13 0.00 0.00 42.46 41.58 1xf5 s ILE 123 CO 0.01 0.24 -0.09 -0.36 -1.91 0.00 0.00 174.94 172.82 1xf5 s PHE 124 N -0.46 1.39 0.99 3.50 0.40 0.12 -5.00 117.98 118.93 1xf5 s PHE 124 Ca 0.05 -0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 55.67 1xf5 s PHE 124 Cb -0.06 -1.09 0.19 0.00 0.51 0.00 0.00 43.02 42.56 1xf5 s PHE 124 CO -0.00 -0.37 1.09 -2.14 0.70 0.00 0.00 175.22 174.50 1xf5 s PRO 125 N 1.12 0.46 0.43 0.24 0.02 -1.26 -2.17 135.00 133.85 1xf5 s PRO 125 Ca -0.06 0.60 -0.26 0.00 0.02 0.00 0.00 61.00 61.29 1xf5 s PRO 125 Cb -0.14 -1.73 -0.09 0.00 0.02 0.00 0.00 34.50 32.55 1xf5 s PRO 125 CO -0.02 -2.73 1.46 -2.14 -0.33 0.00 0.00 177.00 173.25 1xf5 s PRO 126 N -4.92 3.81 0.46 5.54 0.02 -1.17 -4.79 135.00 133.96 1xf5 s PRO 126 Ca 0.65 2.50 -0.23 0.00 0.02 0.00 0.00 61.00 63.94 1xf5 s PRO 126 Cb -0.19 -2.76 -0.07 0.00 0.02 0.00 0.00 34.50 31.50 1xf5 s PRO 126 CO 0.58 -0.75 1.18 -1.54 -0.33 0.00 0.00 177.00 176.14 1xf5 s SER 127 N -0.35 6.13 0.39 2.53 1.04 -1.26 -4.90 113.70 117.27 1xf5 s SER 127 Ca 0.58 2.33 0.08 0.00 0.48 0.00 0.00 55.95 59.42 1xf5 s SER 127 Cb -0.45 -2.60 0.79 0.00 0.10 0.00 0.00 66.02 63.85 1xf5 s SER 127 CO 0.59 -0.95 1.97 0.77 0.98 0.00 0.00 173.24 176.60 1xf5 h SER 128 N 2.03 0.37 -0.88 7.02 4.64 -2.00 -1.36 113.55 123.37 1xf5 h SER 128 Ca -0.49 -0.05 0.07 0.00 -0.47 0.00 0.00 61.79 60.85 1xf5 h SER 128 Cb 1.25 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 63.18 1xf5 h SER 128 CO 0.60 0.40 0.54 -0.08 -0.87 0.00 0.00 176.83 177.42 1xf5 h GLU 129 N 0.40 0.92 -0.07 4.77 4.81 -2.01 -1.12 114.58 122.29 1xf5 h GLU 129 Ca 0.09 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 1xf5 h GLU 129 Cb 0.20 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1xf5 h GLU 129 CO -0.00 0.61 -0.62 0.37 -0.73 0.00 0.00 179.01 178.64 1xf5 h GLN 130 N 0.95 0.25 -0.58 1.92 4.15 -1.62 -3.13 115.11 117.06 1xf5 h GLN 130 Ca 0.40 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.61 1xf5 h GLN 130 Cb 0.24 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1xf5 h GLN 130 CO -0.20 0.79 0.24 -0.07 -1.93 0.00 0.00 178.83 177.66 1xf5 h LEU 131 N 0.18 0.75 0.00 -2.39 3.38 -0.55 -0.94 115.31 115.75 1xf5 h LEU 131 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xf5 h LEU 131 Cb 1.14 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1xf5 h LEU 131 CO 0.10 0.67 0.00 0.35 0.09 0.00 0.00 178.44 179.65 1xf5 n THR 132 N -4.33 0.88 0.56 0.22 -2.24 -0.86 -0.99 114.28 107.52 1xf5 n THR 132 Ca 0.05 0.22 0.09 0.00 -2.27 0.00 0.00 64.05 62.14 1xf5 n THR 132 Cb 0.16 -1.07 0.11 0.00 -2.10 0.00 0.00 70.33 67.42 1xf5 n THR 132 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xf5 n SER 133 N -1.31 2.74 -0.19 3.42 3.41 -0.36 -4.95 113.62 116.37 1xf5 n SER 133 Ca 0.04 -1.82 -0.03 0.00 -0.26 0.00 0.00 58.87 56.81 1xf5 n SER 133 Cb 0.07 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1xf5 n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xf5 n GLY 134 N 1.07 0.58 3.68 5.00 0.00 -0.16 -5.02 105.19 110.35 1xf5 n GLY 134 Ca 0.12 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 1xf5 n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xf5 s GLY 135 N -2.77 1.90 -0.27 -0.02 0.00 -1.18 -2.07 107.32 102.90 1xf5 s GLY 135 Ca 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 44.72 42.87 1xf5 s GLY 135 CO 0.00 -1.79 0.50 0.00 0.00 0.00 0.00 173.10 171.81 1xf5 s ALA 136 N -2.43 -1.69 -0.03 3.20 0.00 0.07 -3.92 121.76 116.96 1xf5 s ALA 136 Ca 0.35 1.47 0.07 0.00 0.00 0.00 0.00 51.96 53.85 1xf5 s ALA 136 Cb -0.03 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 1xf5 s ALA 136 CO 0.21 -1.24 -0.23 -1.12 0.00 0.00 0.00 175.76 173.39 1xf5 s SER 137 N 2.72 2.69 -0.22 0.00 0.01 -1.26 0.48 113.70 118.12 1xf5 s SER 137 Ca 0.14 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 1xf5 s SER 137 Cb -0.15 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1xf5 s SER 137 CO -0.18 0.26 -0.07 -0.69 0.41 0.00 0.00 173.24 172.96 1xf5 s VAL 138 N -0.40 3.08 -0.10 3.43 1.01 0.10 -3.04 120.40 124.48 1xf5 s VAL 138 Ca 0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1xf5 s VAL 138 Cb -0.10 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1xf5 s VAL 138 CO 0.00 0.42 0.06 -0.69 0.00 0.00 0.00 175.10 174.90 1xf5 s VAL 139 N 1.43 4.81 -0.10 2.92 1.01 -0.92 -1.17 120.40 128.38 1xf5 s VAL 139 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1xf5 s VAL 139 Cb -0.14 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1xf5 s VAL 139 CO -0.05 0.61 -0.11 0.00 0.00 0.00 0.00 175.10 175.54 1xf5 s PHE 141 N 1.15 3.04 -0.61 0.00 0.08 0.31 -1.69 117.98 120.26 1xf5 s PHE 141 Ca -0.05 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 1xf5 s PHE 141 Cb -0.14 -2.05 0.16 0.00 -0.57 0.00 0.00 43.02 40.41 1xf5 s PHE 141 CO -0.03 -0.17 0.41 -0.51 -0.10 0.00 0.00 175.22 174.82 1xf5 s LEU 142 N 0.80 4.97 0.21 -0.37 1.43 -0.60 -1.49 118.68 123.64 1xf5 s LEU 142 Ca 0.00 -2.98 0.00 0.00 -1.03 0.00 0.00 54.13 50.12 1xf5 s LEU 142 Cb -0.14 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1xf5 s LEU 142 CO 0.02 -0.31 0.40 0.20 0.23 0.00 0.00 176.35 176.88 1xf5 s ASN 143 N 0.29 6.37 -1.13 2.29 0.01 -0.92 -1.75 114.94 120.10 1xf5 s ASN 143 Ca 0.18 0.37 -0.25 0.00 -0.71 0.00 0.00 52.86 52.44 1xf5 s ASN 143 Cb -0.21 -1.99 0.02 0.00 0.41 0.00 0.00 41.25 39.47 1xf5 s ASN 143 CO -0.03 -0.06 0.73 0.59 -1.51 0.00 0.00 177.10 176.82 1xf5 n ASN 144 N -0.80 -4.84 -4.69 -1.22 3.02 -0.93 -2.02 115.26 103.78 1xf5 n ASN 144 Ca -0.05 -1.11 -0.28 0.00 -0.03 0.00 0.00 54.58 53.10 1xf5 n ASN 144 Cb 0.54 -2.51 -0.09 0.00 -0.61 0.00 0.00 39.78 37.11 1xf5 n ASN 144 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1xf5 s PHE 145 N -3.43 2.37 -0.29 3.10 -0.12 0.50 -4.64 117.98 115.48 1xf5 s PHE 145 Ca 0.43 -0.71 -0.24 0.00 -0.05 0.00 0.00 56.93 56.35 1xf5 s PHE 145 Cb -0.20 -1.80 0.14 0.00 -0.63 0.00 0.00 43.02 40.53 1xf5 s PHE 145 CO 0.91 0.30 1.13 -0.47 -0.05 0.00 0.00 175.22 177.04 1xf5 s TYR 146 N -2.72 -0.38 1.12 3.49 6.14 0.22 -0.59 117.35 124.63 1xf5 s TYR 146 Ca 0.31 0.91 -0.19 0.00 0.64 0.00 0.00 57.07 58.74 1xf5 s TYR 146 Cb 0.06 0.39 0.29 0.00 0.42 0.00 0.00 41.96 43.12 1xf5 s TYR 146 CO 0.16 -0.18 0.74 -0.35 0.64 0.00 0.00 175.55 176.56 1xf5 n PRO 147 N 2.16 -3.91 0.09 4.97 -0.04 -1.26 -0.97 135.00 136.04 1xf5 n PRO 147 Ca -0.12 -1.22 0.13 0.00 -0.04 0.00 0.00 63.50 62.24 1xf5 n PRO 147 Cb 0.56 -1.46 0.45 0.00 -0.04 0.00 0.00 33.50 33.01 1xf5 n PRO 147 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1xf5 n LYS 148 N -4.82 0.20 -2.39 0.54 2.85 -1.26 -4.84 118.16 108.44 1xf5 n LYS 148 Ca 0.11 0.24 -0.42 0.00 -1.05 0.00 0.00 58.31 57.19 1xf5 n LYS 148 Cb 0.48 -1.77 -0.03 0.00 -0.65 0.00 0.00 35.03 33.05 1xf5 n LYS 148 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xf5 s ASP 149 N -4.21 7.07 -0.24 -5.58 1.01 -1.26 -5.02 116.67 108.43 1xf5 s ASP 149 Ca 0.09 2.13 -0.23 0.00 0.71 0.00 0.00 52.55 55.25 1xf5 s ASP 149 Cb 0.12 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.53 1xf5 s ASP 149 CO 0.53 -0.44 0.66 -0.51 0.21 0.00 0.00 175.17 175.62 1xf5 s ILE 150 N 0.60 0.00 0.01 0.77 -1.16 -1.26 -4.71 121.20 115.45 1xf5 s ILE 150 Ca 0.57 -0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.76 1xf5 s ILE 150 Cb -0.31 -0.92 -0.02 0.00 0.61 0.00 0.00 42.46 41.82 1xf5 s ILE 150 CO 0.32 -0.00 -0.18 0.20 -2.81 0.00 0.00 174.94 172.47 1xf5 s ASN 151 N 0.27 2.15 0.04 4.50 0.01 -0.89 -4.98 114.94 116.04 1xf5 s ASN 151 Ca -0.01 -0.39 0.09 0.00 -0.71 0.00 0.00 52.86 51.84 1xf5 s ASN 151 Cb -0.04 -0.21 -0.03 0.00 0.41 0.00 0.00 41.25 41.38 1xf5 s ASN 151 CO 0.01 0.18 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.85 1xf5 s VAL 152 N -0.58 2.01 -0.04 1.60 1.01 -1.26 -0.19 120.40 122.95 1xf5 s VAL 152 Ca 0.06 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 60.74 1xf5 s VAL 152 Cb -0.08 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1xf5 s VAL 152 CO 0.00 0.33 -0.11 -0.54 0.00 0.00 0.00 175.10 174.78 1xf5 s LYS 153 N -1.20 1.29 -0.11 2.72 1.02 0.74 -4.94 119.74 119.26 1xf5 s LYS 153 Ca 0.11 -0.38 -0.04 0.00 0.02 0.00 0.00 55.97 55.68 1xf5 s LYS 153 Cb -0.10 -1.15 -0.03 0.00 -0.52 0.00 0.00 37.83 36.03 1xf5 s LYS 153 CO 0.02 0.11 0.03 -1.58 -0.92 0.00 0.00 175.35 173.01 1xf5 s TRP 154 N 0.31 3.23 -0.01 3.18 0.52 -1.26 0.43 118.94 125.34 1xf5 s TRP 154 Ca -0.06 0.19 0.03 0.00 0.02 0.00 0.00 56.10 56.28 1xf5 s TRP 154 Cb -0.11 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 1xf5 s TRP 154 CO 0.02 0.43 -0.10 0.15 0.02 0.00 0.00 176.95 177.46 1xf5 s LYS 155 N -0.62 0.85 -0.23 4.98 1.02 0.17 -0.68 119.74 125.22 1xf5 s LYS 155 Ca 0.11 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 55.76 1xf5 s LYS 155 Cb -0.12 -0.81 0.05 0.00 -0.52 0.00 0.00 37.83 36.43 1xf5 s LYS 155 CO 0.02 0.20 -0.09 0.42 -0.92 0.00 0.00 175.35 174.98 1xf5 s ILE 156 N -0.15 1.81 -1.30 2.17 1.01 0.87 -1.34 121.20 124.27 1xf5 s ILE 156 Ca 0.02 -1.32 -0.01 0.00 0.00 0.00 0.00 60.65 59.35 1xf5 s ILE 156 Cb -0.05 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.47 1xf5 s ILE 156 CO -0.00 0.01 0.78 0.47 0.00 0.00 0.00 174.94 176.19 1xf5 n ASP 157 N 4.58 -1.61 0.00 3.58 8.00 0.21 -1.50 116.55 129.80 1xf5 n ASP 157 Ca -0.14 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1xf5 n ASP 157 Cb 0.44 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.29 1xf5 n ASP 157 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xf5 n GLY 158 N -1.51 2.22 3.77 0.44 0.00 -1.26 -4.99 105.19 103.85 1xf5 n GLY 158 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1xf5 n GLY 158 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xf5 s SER 159 N -2.54 6.76 0.40 1.61 0.01 -0.57 -4.98 113.70 114.40 1xf5 s SER 159 Ca 0.00 0.91 -0.26 0.00 1.31 0.00 0.00 55.95 57.91 1xf5 s SER 159 Cb 0.00 -2.28 -0.09 0.00 0.21 0.00 0.00 66.02 63.86 1xf5 s SER 159 CO 0.00 0.14 1.28 -0.70 0.41 0.00 0.00 173.24 174.36 1xf5 s GLU 160 N -0.11 4.01 -0.08 12.44 2.12 -1.26 -0.09 118.70 135.73 1xf5 s GLU 160 Ca 0.25 2.10 0.01 0.00 0.36 0.00 0.00 54.97 57.69 1xf5 s GLU 160 Cb -0.16 -2.76 0.02 0.00 0.26 0.00 0.00 34.13 31.48 1xf5 s GLU 160 CO 0.12 -0.44 -0.10 0.50 -0.54 0.00 0.00 175.26 174.80 1xf5 s ARG 161 N -2.21 1.62 -0.10 4.30 6.06 0.14 -4.86 118.95 123.89 1xf5 s ARG 161 Ca 0.56 -0.35 0.12 0.00 -2.50 0.00 0.00 55.73 53.56 1xf5 s ARG 161 Cb -0.37 -1.44 -0.17 0.00 0.06 0.00 0.00 34.95 33.03 1xf5 s ARG 161 CO 0.47 -0.07 0.10 1.04 -2.50 0.00 0.00 175.30 174.34 1xf5 n GLN 162 N 4.18 1.61 -2.75 5.12 6.02 -1.26 -4.34 117.38 125.96 1xf5 n GLN 162 Ca -0.20 -0.03 -0.34 0.00 -0.01 0.00 0.00 57.00 56.42 1xf5 n GLN 162 Cb 0.51 -1.32 -0.06 0.00 1.02 0.00 0.00 30.24 30.39 1xf5 n GLN 162 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xf5 s ASN 163 N -4.31 6.91 -1.06 1.08 0.02 -1.26 -3.93 114.94 112.40 1xf5 s ASN 163 Ca -0.06 1.79 0.00 0.00 -1.02 0.00 0.00 52.86 53.57 1xf5 s ASN 163 Cb 0.05 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.76 1xf5 s ASN 163 CO 0.52 -0.38 0.00 0.61 0.02 0.00 0.00 177.10 177.87 1xf5 n GLY 164 N -0.25 0.59 3.39 0.66 0.00 -1.26 -4.77 105.19 103.55 1xf5 n GLY 164 Ca 0.06 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1xf5 n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xf5 s VAL 165 N -2.48 3.34 -0.08 1.61 0.11 -1.25 0.00 120.40 121.65 1xf5 s VAL 165 Ca 0.00 -0.55 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 1xf5 s VAL 165 Cb 0.00 -2.44 -0.01 0.00 -1.53 0.00 0.00 36.38 32.40 1xf5 s VAL 165 CO 0.00 0.50 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.30 1xf5 s LEU 166 N 0.56 2.34 0.06 2.54 1.02 0.46 -4.96 118.68 120.70 1xf5 s LEU 166 Ca -0.06 -0.42 0.08 0.00 0.02 0.00 0.00 54.13 53.76 1xf5 s LEU 166 Cb -0.15 -1.46 -0.03 0.00 0.02 0.00 0.00 46.19 44.57 1xf5 s LEU 166 CO 0.03 0.24 -0.23 0.20 0.02 0.00 0.00 176.35 176.61 1xf5 s ASN 167 N -0.09 2.77 -0.10 2.29 0.02 -1.26 -0.18 114.94 118.39 1xf5 s ASN 167 Ca -0.04 -0.58 -0.06 0.00 -1.02 0.00 0.00 52.86 51.15 1xf5 s ASN 167 Cb -0.14 -0.22 0.04 0.00 0.02 0.00 0.00 41.25 40.94 1xf5 s ASN 167 CO 0.04 0.18 0.24 -0.55 0.02 0.00 0.00 177.10 177.03 1xf5 s SER 168 N -1.36 -0.25 0.08 -1.22 0.15 -0.04 -4.99 113.70 106.08 1xf5 s SER 168 Ca 0.09 0.50 0.07 0.00 0.70 0.00 0.00 55.95 57.31 1xf5 s SER 168 Cb -0.09 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1xf5 s SER 168 CO 0.03 -0.13 -0.12 0.26 1.20 0.00 0.00 173.24 174.48 1xf5 s TRP 169 N 0.83 2.71 0.17 3.44 0.51 -1.26 0.09 118.94 125.43 1xf5 s TRP 169 Ca -0.06 -0.17 -0.02 0.00 -2.12 0.00 0.00 56.10 53.73 1xf5 s TRP 169 Cb -0.07 -1.45 -0.05 0.00 -0.81 0.00 0.00 33.47 31.09 1xf5 s TRP 169 CO -0.05 0.39 0.38 0.99 -0.51 0.00 0.00 176.95 178.15 1xf5 s THR 170 N -1.14 5.19 0.67 2.01 2.01 -0.94 -5.00 115.64 118.44 1xf5 s THR 170 Ca 0.20 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.87 1xf5 s THR 170 Cb -0.11 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1xf5 s THR 170 CO 0.11 -0.08 1.06 -1.81 -0.69 0.00 0.00 174.62 173.21 1xf5 s ASP 171 N -2.85 5.45 0.10 3.53 1.01 -1.26 -4.49 116.67 118.15 1xf5 s ASP 171 Ca 0.39 1.69 -0.36 0.00 0.71 0.00 0.00 52.55 54.99 1xf5 s ASP 171 Cb -0.12 -2.51 -0.17 0.00 1.01 0.00 0.00 42.92 41.14 1xf5 s ASP 171 CO 0.27 -1.40 1.21 1.67 0.21 0.00 0.00 175.17 177.14 1xf5 n GLN 172 N -2.82 0.91 -1.89 8.23 7.27 -1.26 -4.82 117.38 123.00 1xf5 n GLN 172 Ca 0.08 0.33 -0.41 0.00 0.07 0.00 0.00 57.00 57.06 1xf5 n GLN 172 Cb 0.53 -1.88 -0.02 0.00 2.41 0.00 0.00 30.24 31.28 1xf5 n GLN 172 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1xf5 s ASP 173 N 0.20 6.51 0.37 1.69 2.15 -0.10 -4.89 116.67 122.60 1xf5 s ASP 173 Ca 0.82 2.81 0.27 0.00 0.43 0.00 0.00 52.55 56.88 1xf5 s ASP 173 Cb -0.98 -2.63 1.21 0.00 -0.30 0.00 0.00 42.92 40.23 1xf5 s ASP 173 CO 0.50 -0.81 1.82 0.77 -0.17 0.00 0.00 175.17 177.29 1xf5 h SER 174 N 4.87 0.00 0.00 -0.34 4.64 -1.88 -2.72 113.55 118.12 1xf5 h SER 174 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1xf5 h SER 174 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1xf5 h SER 174 CO 0.78 0.00 -0.92 1.17 -0.87 0.00 0.00 176.83 176.99 1xf5 n LYS 175 N -2.51 0.47 0.00 4.77 4.81 -1.26 -4.21 118.16 120.23 1xf5 n LYS 175 Ca 0.01 0.19 0.12 0.00 -0.87 0.00 0.00 58.31 57.76 1xf5 n LYS 175 Cb 0.20 -1.33 0.18 0.00 0.02 0.00 0.00 35.03 34.10 1xf5 n LYS 175 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xf5 n ASP 176 N -4.35 2.18 -1.10 3.14 3.85 -1.26 -4.91 116.55 114.10 1xf5 n ASP 176 Ca -0.13 -1.62 -0.14 0.00 -0.71 0.00 0.00 54.79 52.19 1xf5 n ASP 176 Cb 0.47 0.17 -0.06 0.00 -1.35 0.00 0.00 41.12 40.35 1xf5 n ASP 176 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1xf5 n SER 177 N 0.45 -5.19 -2.54 -1.12 7.64 -1.03 -4.98 113.62 106.86 1xf5 n SER 177 Ca 0.13 0.36 -0.05 0.00 1.01 0.00 0.00 58.87 60.32 1xf5 n SER 177 Cb 0.48 -3.96 0.02 0.00 -1.01 0.00 0.00 64.21 59.75 1xf5 n SER 177 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xf5 n THR 178 N -2.43 0.00 -4.17 0.44 -2.24 -1.26 -4.64 114.28 99.99 1xf5 n THR 178 Ca -0.14 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.19 1xf5 n THR 178 Cb 0.55 -1.27 -0.10 0.00 -2.10 0.00 0.00 70.33 67.41 1xf5 n THR 178 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1xf5 s TYR 179 N -0.44 0.91 0.25 4.78 1.51 0.24 -0.93 117.35 123.66 1xf5 s TYR 179 Ca 0.14 -0.85 0.01 0.00 -1.01 0.00 0.00 57.07 55.35 1xf5 s TYR 179 Cb -0.01 -0.52 -0.05 0.00 -0.11 0.00 0.00 41.96 41.28 1xf5 s TYR 179 CO 0.09 -0.12 0.11 -1.12 -1.11 0.00 0.00 175.55 173.40 1xf5 s SER 180 N -2.89 0.97 -0.04 2.29 0.01 -1.26 -0.37 113.70 112.41 1xf5 s SER 180 Ca 0.10 -1.40 -0.24 0.00 1.31 0.00 0.00 55.95 55.72 1xf5 s SER 180 Cb 0.03 0.23 0.05 0.00 0.21 0.00 0.00 66.02 66.55 1xf5 s SER 180 CO -0.04 -0.77 0.53 0.00 0.41 0.00 0.00 173.24 173.37 1xf5 s MET 181 N -4.05 0.90 -0.09 12.44 0.23 -0.71 -2.21 119.30 125.81 1xf5 s MET 181 Ca 0.38 0.08 0.03 0.00 -1.03 0.00 0.00 55.69 55.15 1xf5 s MET 181 Cb 0.07 0.42 0.01 0.00 -1.53 0.00 0.00 34.83 33.80 1xf5 s MET 181 CO 0.14 -0.27 -0.17 0.45 -2.03 0.00 0.00 175.02 173.14 1xf5 s SER 182 N -1.23 2.39 -0.07 -1.18 0.15 0.11 -1.56 113.70 112.32 1xf5 s SER 182 Ca -0.12 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.15 1xf5 s SER 182 Cb -0.02 -1.10 -0.00 0.00 -1.71 0.00 0.00 66.02 63.19 1xf5 s SER 182 CO 0.08 0.08 -0.20 -0.55 1.20 0.00 0.00 173.24 173.84 1xf5 s SER 183 N 0.59 2.61 -0.06 5.45 0.15 -0.68 -0.86 113.70 120.89 1xf5 s SER 183 Ca -0.15 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.09 1xf5 s SER 183 Cb -0.17 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.17 1xf5 s SER 183 CO 0.05 0.15 -0.17 -0.89 1.20 0.00 0.00 173.24 173.58 1xf5 s THR 184 N 0.22 1.49 -0.21 6.45 2.01 0.75 -0.99 115.64 125.36 1xf5 s THR 184 Ca -0.11 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 1xf5 s THR 184 Cb -0.15 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1xf5 s THR 184 CO 0.05 0.43 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.17 1xf5 s LEU 185 N 0.28 3.06 -0.07 4.42 2.96 -0.32 -0.40 118.68 128.61 1xf5 s LEU 185 Ca -0.10 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1xf5 s LEU 185 Cb -0.14 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1xf5 s LEU 185 CO 0.04 0.03 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.02 1xf5 s THR 186 N 1.20 2.58 0.27 3.68 2.01 0.10 0.03 115.64 125.51 1xf5 s THR 186 Ca 0.03 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 1xf5 s THR 186 Cb -0.14 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1xf5 s THR 186 CO -0.00 0.57 0.27 -0.76 -0.69 0.00 0.00 174.62 174.01 1xf5 s LEU 187 N -0.24 1.20 0.41 4.42 1.43 0.18 -4.61 118.68 121.46 1xf5 s LEU 187 Ca -0.00 -1.46 -0.16 0.00 -1.03 0.00 0.00 54.13 51.48 1xf5 s LEU 187 Cb -0.13 0.78 -0.09 0.00 0.03 0.00 0.00 46.19 46.78 1xf5 s LEU 187 CO 0.03 -1.02 0.86 0.42 0.23 0.00 0.00 176.35 176.87 1xf5 s THR 188 N -3.76 4.57 0.29 5.49 -4.23 -1.26 -0.75 115.64 115.99 1xf5 s THR 188 Ca 0.36 1.12 0.03 0.00 -1.18 0.00 0.00 61.69 62.02 1xf5 s THR 188 Cb 0.04 -3.65 0.29 0.00 1.34 0.00 0.00 72.50 70.52 1xf5 s THR 188 CO 0.18 -0.38 1.67 0.50 -0.54 0.00 0.00 174.62 176.05 1xf5 h LYS 189 N 1.72 0.29 0.06 3.99 3.64 -1.59 -1.24 116.57 123.44 1xf5 h LYS 189 Ca -0.48 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1xf5 h LYS 189 Cb 1.18 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1xf5 h LYS 189 CO 0.63 0.19 -0.22 -0.44 -2.27 0.00 0.00 179.45 177.34 1xf5 h ASP 190 N 0.30 -0.63 -0.26 4.20 5.19 -1.91 -0.48 116.42 122.83 1xf5 h ASP 190 Ca 0.55 0.08 0.03 0.00 -0.62 0.00 0.00 57.03 57.07 1xf5 h ASP 190 Cb 1.07 0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.80 1xf5 h ASP 190 CO -0.58 -0.30 0.07 -0.33 -3.12 0.00 0.00 179.24 174.98 1xf5 h GLU 191 N -0.38 0.17 -1.00 3.56 5.08 -1.64 -2.59 114.58 117.78 1xf5 h GLU 191 Ca 0.04 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 1xf5 h GLU 191 Cb 0.43 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 1xf5 h GLU 191 CO -0.16 0.11 0.63 -0.92 -1.00 0.00 0.00 179.01 177.67 1xf5 h TYR 192 N 0.18 1.11 -0.00 4.33 3.20 -0.84 -1.56 116.97 123.38 1xf5 h TYR 192 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1xf5 h TYR 192 Cb 0.10 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1xf5 h TYR 192 CO -0.14 0.40 -0.02 0.39 -1.64 0.00 0.00 178.16 177.15 1xf5 n GLU 193 N -4.64 0.79 0.00 1.82 1.02 -0.23 -3.45 120.64 115.94 1xf5 n GLU 193 Ca 0.20 -0.10 0.10 0.00 -0.02 0.00 0.00 57.16 57.35 1xf5 n GLU 193 Cb 0.41 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.27 1xf5 n GLU 193 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xf5 n ARG 194 N -1.02 0.28 -4.45 3.49 1.74 -0.59 -4.93 116.66 111.18 1xf5 n ARG 194 Ca 0.19 -0.23 -0.24 0.00 -0.77 0.00 0.00 57.85 56.79 1xf5 n ARG 194 Cb 0.20 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 1xf5 n ARG 194 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1xf5 s HIS 195 N -2.87 2.37 -0.07 -1.55 3.76 -1.22 -5.09 115.29 110.62 1xf5 s HIS 195 Ca 0.11 -0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 54.66 1xf5 s HIS 195 Cb 0.17 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.70 1xf5 s HIS 195 CO 0.78 0.67 -0.07 -1.71 -0.85 0.00 0.00 174.74 173.56 1xf5 n ASN 196 N -0.70 2.46 -4.53 1.40 2.85 -1.26 -4.83 115.26 110.64 1xf5 n ASN 196 Ca -0.05 0.01 -0.38 0.00 -0.11 0.00 0.00 54.58 54.05 1xf5 n ASN 196 Cb 0.61 -0.15 -0.11 0.00 1.24 0.00 0.00 39.78 41.36 1xf5 n ASN 196 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1xf5 s SER 197 N -5.02 5.73 -0.11 1.20 0.15 -1.26 0.21 113.70 114.61 1xf5 s SER 197 Ca -0.10 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.40 1xf5 s SER 197 Cb 0.03 -2.06 -0.02 0.00 -1.71 0.00 0.00 66.02 62.27 1xf5 s SER 197 CO 0.15 -0.08 -0.15 -0.31 1.20 0.00 0.00 173.24 174.05 1xf5 s TYR 198 N 1.70 2.75 -0.03 3.44 2.02 -0.78 0.66 117.35 127.11 1xf5 s TYR 198 Ca 0.06 -0.56 -0.14 0.00 -0.37 0.00 0.00 57.07 56.06 1xf5 s TYR 198 Cb -0.16 -1.77 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 1xf5 s TYR 198 CO 0.08 -0.14 0.30 0.95 -1.57 0.00 0.00 175.55 175.18 1xf5 s THR 199 N 0.08 0.05 -0.10 -0.71 -4.23 -0.45 -2.12 115.64 108.17 1xf5 s THR 199 Ca -0.06 -0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.08 1xf5 s THR 199 Cb -0.15 -0.58 -0.00 0.00 1.34 0.00 0.00 72.50 73.11 1xf5 s THR 199 CO 0.05 -0.23 -0.24 0.00 -0.54 0.00 0.00 174.62 173.66 1xf5 s GLU 201 N 0.31 3.55 -0.15 0.00 2.02 0.17 -2.70 118.70 121.90 1xf5 s GLU 201 Ca -0.18 -0.55 -0.08 0.00 0.02 0.00 0.00 54.97 54.18 1xf5 s GLU 201 Cb -0.18 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 1xf5 s GLU 201 CO 0.08 -0.07 0.14 0.00 0.02 0.00 0.00 175.26 175.43 1xf5 s ALA 202 N 1.22 3.81 -0.24 5.21 0.00 -0.43 -0.19 121.76 131.15 1xf5 s ALA 202 Ca 0.03 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1xf5 s ALA 202 Cb -0.15 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 20.98 1xf5 s ALA 202 CO 0.01 0.46 -0.12 0.99 0.00 0.00 0.00 175.76 177.09 1xf5 s THR 203 N -0.54 2.09 0.24 0.00 2.01 0.73 -1.15 115.64 119.02 1xf5 s THR 203 Ca 0.13 -1.45 0.07 0.00 0.31 0.00 0.00 61.69 60.75 1xf5 s THR 203 Cb -0.12 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 1xf5 s THR 203 CO 0.02 0.09 -0.10 -2.28 -0.69 0.00 0.00 174.62 171.66 1xf5 s HIS 204 N 1.17 1.81 0.28 4.92 2.46 -1.26 -2.09 115.29 122.57 1xf5 s HIS 204 Ca -0.06 -0.64 0.21 0.00 0.47 0.00 0.00 55.06 55.05 1xf5 s HIS 204 Cb -0.18 -0.93 0.98 0.00 -0.13 0.00 0.00 32.58 32.32 1xf5 s HIS 204 CO -0.07 0.31 1.88 1.57 -2.47 0.00 0.00 174.74 175.96 1xf5 h LYS 205 N 2.44 0.00 -0.29 2.88 5.09 -1.94 -3.02 116.57 121.73 1xf5 h LYS 205 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.35 1xf5 h LYS 205 Cb 1.23 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.56 1xf5 h LYS 205 CO 0.64 0.26 0.00 2.41 -2.09 0.00 0.00 179.45 180.67 1xf5 n THR 206 N -3.64 0.00 0.00 0.07 -1.04 -1.26 -4.64 114.28 103.77 1xf5 n THR 206 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1xf5 n THR 206 Cb 0.39 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 1xf5 n THR 206 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1xf5 n SER 207 N 0.06 0.00 0.08 8.00 2.88 -1.14 -4.89 113.62 118.60 1xf5 n SER 207 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1xf5 n SER 207 Cb 0.07 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 1xf5 n SER 207 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1xf5 h THR 208 N 0.59 0.22 -3.72 2.46 2.02 -1.82 -3.40 112.91 109.27 1xf5 h THR 208 Ca 0.00 -1.43 -0.65 0.00 0.77 0.00 0.00 66.41 65.10 1xf5 h THR 208 Cb 0.00 1.76 -0.16 0.00 -1.74 0.00 0.00 68.15 68.00 1xf5 h THR 208 CO 0.00 0.13 -0.31 -0.44 0.37 0.00 0.00 175.52 175.27 1xf5 s SER 209 N -5.59 6.18 0.17 4.18 0.01 -1.26 -5.05 113.70 112.33 1xf5 s SER 209 Ca -0.01 -0.05 -0.33 0.00 1.31 0.00 0.00 55.95 56.87 1xf5 s SER 209 Cb 0.09 -2.19 -0.15 0.00 0.21 0.00 0.00 66.02 63.98 1xf5 s SER 209 CO 0.79 -0.25 1.32 -2.65 0.41 0.00 0.00 173.24 172.86 1xf5 n PRO 210 N 5.32 1.50 -2.46 12.44 -0.02 -1.26 -4.89 135.00 145.63 1xf5 n PRO 210 Ca -0.10 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1xf5 n PRO 210 Cb 0.50 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1xf5 n PRO 210 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xf5 s ILE 211 N 0.15 4.25 -0.04 4.25 1.09 -0.30 -4.84 121.20 125.77 1xf5 s ILE 211 Ca 0.75 1.57 0.02 0.00 -1.10 0.00 0.00 60.65 61.90 1xf5 s ILE 211 Cb -0.80 -4.01 -0.03 0.00 -1.06 0.00 0.00 42.46 36.55 1xf5 s ILE 211 CO 0.48 -0.00 -0.07 -0.69 -0.10 0.00 0.00 174.94 174.56 1xf5 s VAL 212 N 2.22 3.69 -0.06 2.92 1.01 -1.26 -1.31 120.40 127.61 1xf5 s VAL 212 Ca 0.56 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1xf5 s VAL 212 Cb -0.25 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1xf5 s VAL 212 CO 0.22 0.51 0.18 -0.54 0.00 0.00 0.00 175.10 175.47 1xf5 s LYS 213 N -1.08 0.25 0.16 2.72 -0.14 -1.10 -5.03 119.74 115.52 1xf5 s LYS 213 Ca 0.14 0.17 -0.11 0.00 -1.36 0.00 0.00 55.97 54.82 1xf5 s LYS 213 Cb -0.11 0.12 0.04 0.00 -1.68 0.00 0.00 37.83 36.20 1xf5 s LYS 213 CO 0.04 -0.04 0.53 -1.13 -0.76 0.00 0.00 175.35 173.99 1xf5 n SER 214 N 2.78 -1.13 -3.47 2.83 3.41 -1.26 -1.31 113.62 115.47 1xf5 n SER 214 Ca -0.14 -1.68 -0.10 0.00 -0.26 0.00 0.00 58.87 56.68 1xf5 n SER 214 Cb 0.58 1.85 -0.02 0.00 -0.26 0.00 0.00 64.21 66.36 1xf5 n SER 214 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1xf5 s PHE 215 N -4.36 -0.45 -0.12 7.33 -0.12 -0.90 -5.00 117.98 114.36 1xf5 s PHE 215 Ca 0.11 0.32 0.03 0.00 -0.05 0.00 0.00 56.93 57.34 1xf5 s PHE 215 Cb -0.02 0.54 0.01 0.00 -0.63 0.00 0.00 43.02 42.92 1xf5 s PHE 215 CO 0.05 -0.68 -0.22 -0.80 -0.05 0.00 0.00 175.22 173.53 1xf5 s ASN 216 N -2.50 2.98 0.56 1.98 0.01 -1.26 -1.87 114.94 114.84 1xf5 s ASN 216 Ca 0.02 -0.56 0.28 0.00 -0.71 0.00 0.00 52.86 51.90 1xf5 s ASN 216 Cb -0.01 -1.37 1.48 0.00 0.41 0.00 0.00 41.25 41.75 1xf5 s ASN 216 CO -0.10 0.10 1.95 0.03 -1.51 0.00 0.00 177.10 177.57 1xf5 h ARG 217 N 7.12 0.00 0.00 -0.60 3.08 -0.56 -0.20 114.38 123.23 1xf5 h ARG 217 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1xf5 h ARG 217 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1xf5 h ARG 217 CO 0.52 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.69 1xf5 n ASN 218 N -4.01 0.00 -0.01 7.04 6.94 -1.26 -2.97 115.26 120.99 1xf5 n ASN 218 Ca 0.10 -0.86 0.00 0.00 -0.02 0.00 0.00 54.58 53.80 1xf5 n ASN 218 Cb 0.66 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 1xf5 n ASN 218 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1xf5 n GLU 219 N -0.90 -0.73 0.00 -3.83 1.02 -0.09 -5.26 120.64 110.85 1xf5 n GLU 219 Ca 0.14 -0.50 0.15 0.00 -0.02 0.00 0.00 57.16 56.93 1xf5 n GLU 219 Cb 0.06 -0.99 0.73 0.00 -0.02 0.00 0.00 31.44 31.22 1xf5 n GLU 219 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31