#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f92 s ILE 17 N 0.00 4.25 0.00 1.39 -1.09 0.11 -4.19 121.20 121.66 1f92 s ILE 17 Ca 0.00 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.19 1f92 s ILE 17 Cb 0.00 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1f92 s ILE 17 CO 0.00 0.22 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 1f92 n GLY 18 N 2.54 0.55 7.00 6.18 0.00 -1.26 -2.50 105.19 117.70 1f92 n GLY 18 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1f92 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f92 n GLY 19 N 0.00 -0.36 3.17 -0.02 0.00 -1.26 -4.88 105.19 101.84 1f92 n GLY 19 Ca 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1f92 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f92 s GLU 20 N 0.00 0.85 0.46 1.61 2.02 -0.62 -5.00 118.70 118.02 1f92 s GLU 20 Ca 0.00 -1.33 -0.18 0.00 0.02 0.00 0.00 54.97 53.48 1f92 s GLU 20 Cb 0.00 -0.25 -0.09 0.00 0.10 0.00 0.00 34.13 33.89 1f92 s GLU 20 CO 0.00 -0.01 0.95 -0.06 0.02 0.00 0.00 175.26 176.16 1f92 s PHE 21 N -3.53 3.39 0.34 1.61 0.40 -1.26 -1.42 117.98 117.52 1f92 s PHE 21 Ca 0.12 1.50 -0.08 0.00 -0.60 0.00 0.00 56.93 57.87 1f92 s PHE 21 Cb 0.05 -2.79 0.02 0.00 0.51 0.00 0.00 43.02 40.80 1f92 s PHE 21 CO -0.04 -0.22 0.56 -0.08 0.70 0.00 0.00 175.22 176.14 1f92 s THR 22 N -2.39 0.00 0.31 0.64 -1.32 0.10 -4.88 115.64 108.11 1f92 s THR 22 Ca 0.60 -1.40 0.10 0.00 -1.21 0.00 0.00 61.69 59.77 1f92 s THR 22 Cb -0.10 -2.64 -0.05 0.00 -1.51 0.00 0.00 72.50 68.20 1f92 s THR 22 CO 0.23 0.00 -0.04 0.42 -2.21 0.00 0.00 174.62 173.02 1f92 s THR 23 N -2.99 2.73 -0.49 5.08 -4.23 -1.26 -4.04 115.64 110.44 1f92 s THR 23 Ca 0.25 -2.06 0.22 0.00 -1.18 0.00 0.00 61.69 58.92 1f92 s THR 23 Cb -0.02 -2.70 0.23 0.00 1.34 0.00 0.00 72.50 71.35 1f92 s THR 23 CO 0.16 -0.27 1.67 0.00 -0.54 0.00 0.00 174.62 175.64 1f92 n ILE 24 N -0.87 0.89 0.25 2.99 0.13 -1.26 -1.94 119.36 119.55 1f92 n ILE 24 Ca -0.05 0.31 0.12 0.00 -1.10 0.00 0.00 62.75 62.03 1f92 n ILE 24 Cb 0.61 -1.24 0.67 0.00 -0.84 0.00 0.00 39.64 38.84 1f92 n ILE 24 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1f92 h GLU 25 N 0.00 0.00 0.00 9.51 5.08 -1.86 0.63 114.58 127.94 1f92 h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f92 h GLU 25 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1f92 h GLU 25 CO 0.00 0.15 -1.37 0.09 -1.00 0.00 0.00 179.01 176.88 1f92 n ASN 26 N -3.63 0.51 -2.91 1.42 3.02 -0.82 -4.37 115.26 108.47 1f92 n ASN 26 Ca -0.02 0.13 -0.21 0.00 -0.03 0.00 0.00 54.58 54.46 1f92 n ASN 26 Cb 0.27 1.06 -0.02 0.00 -0.61 0.00 0.00 39.78 40.49 1f92 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f92 n GLN 27 N -2.42 2.13 0.30 3.52 1.13 -0.90 -4.96 117.38 116.18 1f92 n GLN 27 Ca -0.01 -4.03 0.14 0.00 -1.94 0.00 0.00 57.00 51.15 1f92 n GLN 27 Cb 0.54 -1.90 0.74 0.00 0.11 0.00 0.00 30.24 29.73 1f92 n GLN 27 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1f92 h PRO 28 N 2.93 0.00 -0.01 -1.09 0.13 -1.09 -0.70 132.00 132.17 1f92 h PRO 28 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1f92 h PRO 28 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1f92 h PRO 28 CO 0.66 0.00 -0.28 -2.67 -0.23 0.00 0.00 178.00 175.48 1f92 n TRP 29 N -2.72 0.00 -2.24 1.56 2.14 -1.13 -1.50 117.44 113.56 1f92 n TRP 29 Ca -0.02 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.13 1f92 n TRP 29 Cb 0.35 -0.06 -0.03 0.00 -0.81 0.00 0.00 31.31 30.76 1f92 n TRP 29 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1f92 s PHE 30 N -2.40 3.19 -0.08 -2.67 2.19 -0.27 -0.96 117.98 116.98 1f92 s PHE 30 Ca 0.24 1.00 0.01 0.00 0.33 0.00 0.00 56.93 58.51 1f92 s PHE 30 Cb 0.19 -3.62 -0.03 0.00 -1.31 0.00 0.00 43.02 38.26 1f92 s PHE 30 CO 0.50 -2.16 -0.11 0.00 1.83 0.00 0.00 175.22 175.28 1f92 s ALA 31 N 1.41 2.80 -0.23 11.12 0.00 -0.07 -4.25 121.76 132.53 1f92 s ALA 31 Ca 0.63 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 1f92 s ALA 31 Cb -0.34 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 1f92 s ALA 31 CO 0.29 0.49 -0.02 0.00 0.00 0.00 0.00 175.76 176.52 1f92 s ALA 32 N -0.52 2.87 -0.22 0.00 0.00 -0.60 -0.81 121.76 122.47 1f92 s ALA 32 Ca 0.07 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 1f92 s ALA 32 Cb -0.12 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 1f92 s ALA 32 CO 0.02 -0.51 0.03 0.42 0.00 0.00 0.00 175.76 175.72 1f92 s ILE 33 N 1.48 4.10 0.28 0.00 1.01 -0.39 -0.64 121.20 127.05 1f92 s ILE 33 Ca 0.05 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.54 1f92 s ILE 33 Cb -0.15 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1f92 s ILE 33 CO -0.02 0.39 -0.00 -0.31 0.00 0.00 0.00 174.94 175.00 1f92 s TYR 34 N 1.24 2.66 -0.11 3.97 2.02 0.49 -0.82 117.35 126.80 1f92 s TYR 34 Ca 0.04 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 1f92 s TYR 34 Cb -0.15 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.17 1f92 s TYR 34 CO 0.02 0.59 -0.23 0.50 -1.57 0.00 0.00 175.55 174.86 1f92 s ARG 35 N -3.68 3.07 0.62 -0.62 3.52 -0.59 -0.44 118.95 120.82 1f92 s ARG 35 Ca 0.32 -0.86 -0.14 0.00 -0.13 0.00 0.00 55.73 54.92 1f92 s ARG 35 Cb -0.05 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.95 1f92 s ARG 35 CO 0.20 0.14 1.05 1.03 -0.81 0.00 0.00 175.30 176.91 1f92 s ARG 36 N 0.44 3.25 0.12 5.12 0.52 1.17 -2.91 118.95 126.66 1f92 s ARG 36 Ca -0.16 1.10 0.04 0.00 -0.52 0.00 0.00 55.73 56.19 1f92 s ARG 36 Cb -0.17 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 1f92 s ARG 36 CO 0.07 -0.85 -0.09 -1.01 0.02 0.00 0.00 175.30 173.43 1f92 s HIS 37 N -2.66 1.14 0.00 -0.53 3.76 -0.80 -4.91 115.29 111.30 1f92 s HIS 37 Ca 0.61 -0.77 -0.00 0.00 -0.15 0.00 0.00 55.06 54.76 1f92 s HIS 37 Cb -0.15 -0.60 -0.00 0.00 1.11 0.00 0.00 32.58 32.94 1f92 s HIS 37 CO 0.42 0.01 0.52 2.89 -0.85 0.00 0.00 174.74 177.73 1f92 n ARG 37 N 0.01 0.03 0.24 1.40 0.00 -1.26 -4.52 116.66 112.56 1f92 n ARG 37 Ca -0.12 -0.01 0.15 0.00 -0.00 0.00 0.00 57.85 57.87 1f92 n ARG 37 Cb 0.60 -1.51 0.49 0.00 -0.00 0.00 0.00 32.46 32.05 1f92 n ARG 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1f92 h GLY 37 N 5.87 0.00 -4.04 2.89 0.00 -2.02 -3.53 103.07 102.24 1f92 h GLY 37 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.81 1f92 h GLY 37 CO 0.47 0.00 0.71 -1.35 0.00 0.00 0.00 176.54 176.37 1f92 s SER 37 N -5.68 6.67 -0.41 0.19 1.04 -1.26 -5.00 113.70 109.24 1f92 s SER 37 Ca 0.04 2.72 0.02 0.00 0.48 0.00 0.00 55.95 59.21 1f92 s SER 37 Cb 0.08 -2.64 0.12 0.00 0.10 0.00 0.00 66.02 63.68 1f92 s SER 37 CO 0.57 -0.65 0.19 -0.69 0.98 0.00 0.00 173.24 173.64 1f92 s VAL 38 N -0.65 1.63 0.52 5.02 1.01 -1.26 -1.90 120.40 124.77 1f92 s VAL 38 Ca 0.54 -2.44 -0.13 0.00 0.00 0.00 0.00 61.98 59.95 1f92 s VAL 38 Cb -0.41 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 1f92 s VAL 38 CO 0.50 -0.79 0.94 0.42 0.00 0.00 0.00 175.10 176.17 1f92 s THR 39 N 0.56 4.66 0.20 3.92 -4.23 -1.15 -4.84 115.64 114.76 1f92 s THR 39 Ca 0.15 0.93 -0.27 0.00 -1.18 0.00 0.00 61.69 61.32 1f92 s THR 39 Cb -0.23 -3.78 -0.08 0.00 1.34 0.00 0.00 72.50 69.75 1f92 s THR 39 CO -0.06 -0.80 0.84 -0.47 -0.54 0.00 0.00 174.62 173.59 1f92 s TYR 40 N -2.74 3.92 -0.01 3.99 5.04 -1.26 -1.55 117.35 124.75 1f92 s TYR 40 Ca 0.55 1.74 -0.01 0.00 -2.44 0.00 0.00 57.07 56.92 1f92 s TYR 40 Cb -0.10 -2.85 -0.00 0.00 0.35 0.00 0.00 41.96 39.36 1f92 s TYR 40 CO 0.39 0.48 -0.02 0.28 -1.34 0.00 0.00 175.55 175.34 1f92 n VAL 41 N 1.49 0.10 -3.97 3.14 0.31 -0.00 -4.86 118.33 114.54 1f92 n VAL 41 Ca -0.04 0.31 -0.09 0.00 -0.01 0.00 0.00 64.34 64.51 1f92 n VAL 41 Cb 0.48 -1.37 -0.04 0.00 -0.91 0.00 0.00 33.84 32.00 1f92 n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f92 s GLY 43 N -3.01 1.76 0.17 0.00 0.00 -0.01 -1.26 107.32 104.97 1f92 s GLY 43 Ca 0.20 -1.76 -0.24 0.00 0.00 0.00 0.00 44.72 42.92 1f92 s GLY 43 CO 0.09 -1.11 0.99 -0.32 0.00 0.00 0.00 173.10 172.75 1f92 s GLY 44 N -4.82 -0.08 -0.03 0.20 0.00 0.01 -3.81 107.32 98.79 1f92 s GLY 44 Ca 0.69 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 45.34 1f92 s GLY 44 CO 0.47 0.87 -0.04 -0.56 0.00 0.00 0.00 173.10 173.84 1f92 s SER 45 N -3.12 0.75 -0.44 1.64 0.01 -0.47 -0.89 113.70 111.18 1f92 s SER 45 Ca 0.16 -0.10 -0.29 0.00 1.31 0.00 0.00 55.95 57.03 1f92 s SER 45 Cb -0.02 -0.31 0.02 0.00 0.21 0.00 0.00 66.02 65.93 1f92 s SER 45 CO 0.04 -0.03 1.21 -0.22 0.41 0.00 0.00 173.24 174.65 1f92 s LEU 46 N 0.66 3.67 -0.00 2.44 2.96 -0.14 -0.61 118.68 127.66 1f92 s LEU 46 Ca -0.08 0.66 0.20 0.00 -0.22 0.00 0.00 54.13 54.69 1f92 s LEU 46 Cb -0.11 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.79 1f92 s LEU 46 CO -0.00 -1.25 0.79 2.30 -1.32 0.00 0.00 176.35 176.86 1f92 n ILE 47 N 6.77 0.00 -3.46 6.68 -5.35 -0.48 -1.66 119.36 121.86 1f92 n ILE 47 Ca 0.13 -0.10 -0.14 0.00 -0.27 0.00 0.00 62.75 62.37 1f92 n ILE 47 Cb 0.48 0.83 -0.03 0.00 -1.74 0.00 0.00 39.64 39.19 1f92 n ILE 47 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1f92 s SER 48 N -3.15 -0.59 0.51 7.28 0.15 -1.11 -4.73 113.70 112.05 1f92 s SER 48 Ca 0.05 0.25 0.29 0.00 0.70 0.00 0.00 55.95 57.24 1f92 s SER 48 Cb 0.15 0.57 1.40 0.00 -1.71 0.00 0.00 66.02 66.43 1f92 s SER 48 CO 0.83 -0.83 1.86 -0.65 1.20 0.00 0.00 173.24 175.65 1f92 h PRO 49 N 2.34 0.10 -0.25 5.44 0.11 -1.94 -0.99 132.00 136.81 1f92 h PRO 49 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1f92 h PRO 49 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1f92 h PRO 49 CO 0.38 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.24 1f92 s TRP 51 N -0.97 0.89 -0.04 0.00 0.52 -0.38 -1.84 118.94 117.13 1f92 s TRP 51 Ca 0.18 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 56.12 1f92 s TRP 51 Cb 0.10 -0.65 -0.00 0.00 -1.15 0.00 0.00 33.47 31.76 1f92 s TRP 51 CO 0.13 -0.11 -0.18 0.08 0.02 0.00 0.00 176.95 176.90 1f92 s VAL 52 N 0.26 1.46 -0.07 4.03 1.01 -0.72 -1.38 120.40 125.00 1f92 s VAL 52 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1f92 s VAL 52 Cb -0.09 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1f92 s VAL 52 CO 0.00 0.42 -0.05 -0.51 0.00 0.00 0.00 175.10 174.96 1f92 s ILE 53 N 0.01 3.86 0.00 2.22 2.07 0.22 -0.71 121.20 128.87 1f92 s ILE 53 Ca -0.03 -0.44 0.00 0.00 -1.41 0.00 0.00 60.65 58.77 1f92 s ILE 53 Cb -0.11 -2.59 0.00 0.00 0.13 0.00 0.00 42.46 39.88 1f92 s ILE 53 CO 0.02 0.59 0.00 -0.24 -1.91 0.00 0.00 174.94 173.40 1f92 n SER 54 N 2.15 0.00 -4.42 4.50 2.88 -0.15 -1.37 113.62 117.22 1f92 n SER 54 Ca -0.18 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.03 1f92 n SER 54 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 1f92 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1f92 s ALA 55 N -1.62 2.66 0.25 -1.46 0.00 -1.26 -1.09 121.76 119.24 1f92 s ALA 55 Ca 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 1f92 s ALA 55 Cb 0.00 -1.15 0.32 0.00 0.00 0.00 0.00 23.12 22.29 1f92 s ALA 55 CO 0.00 0.36 1.90 1.15 0.00 0.00 0.00 175.76 179.17 1f92 h THR 56 N 5.01 1.18 -0.05 0.00 2.02 -1.75 -2.51 112.91 116.81 1f92 h THR 56 Ca -0.33 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.43 1f92 h THR 56 Cb 1.19 -0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1f92 h THR 56 CO 0.54 0.23 0.28 1.12 0.37 0.00 0.00 175.52 178.06 1f92 h HIS 57 N 1.25 0.00 0.00 3.16 2.07 -1.90 0.29 115.15 120.02 1f92 h HIS 57 Ca 0.39 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.87 1f92 h HIS 57 Cb -0.01 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.96 1f92 h HIS 57 CO -0.00 0.00 -0.21 0.00 -3.07 0.00 0.00 177.93 174.65 1f92 n PHE 59 N -3.29 0.00 -0.31 0.00 3.72 0.87 -4.84 117.46 113.61 1f92 n PHE 59 Ca 0.01 0.00 0.29 0.00 -0.05 0.00 0.00 57.45 57.70 1f92 n PHE 59 Cb 0.47 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.55 1f92 n PHE 59 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1f92 n ILE 60 N -1.28 -0.40 0.16 4.37 0.13 -0.30 -0.47 119.36 121.57 1f92 n ILE 60 Ca 0.00 1.94 0.04 0.00 -1.10 0.00 0.00 62.75 63.63 1f92 n ILE 60 Cb 0.00 -3.13 0.12 0.00 -0.84 0.00 0.00 39.64 35.79 1f92 n ILE 60 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 1f92 h ASP 60 N 0.00 0.00 -2.71 9.51 3.32 -1.88 -3.38 116.42 121.28 1f92 h ASP 60 Ca 0.79 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 57.24 1f92 h ASP 60 Cb 2.07 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 41.22 1f92 h ASP 60 CO -0.74 0.43 -0.78 -1.22 -1.72 0.00 0.00 179.24 175.21 1f92 n TYR 60 N -3.27 1.12 0.50 4.55 4.02 0.38 -4.98 117.16 119.48 1f92 n TYR 60 Ca 0.02 -3.80 0.06 0.00 -0.01 0.00 0.00 57.90 54.16 1f92 n TYR 60 Cb 0.66 -0.17 0.28 0.00 -0.02 0.00 0.00 39.34 40.09 1f92 n TYR 60 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1f92 n PRO 60 N 2.40 0.11 -2.01 -0.72 -0.02 -1.18 -4.79 135.00 128.79 1f92 n PRO 60 Ca 0.25 0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 1f92 n PRO 60 Cb 0.42 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 1f92 n PRO 60 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1f92 s LYS 61 N -2.72 3.99 0.53 -0.52 1.02 -1.26 -4.88 119.74 115.90 1f92 s LYS 61 Ca 0.09 2.01 0.32 0.00 0.02 0.00 0.00 55.97 58.41 1f92 s LYS 61 Cb 0.08 -4.03 1.21 0.00 -0.52 0.00 0.00 37.83 34.57 1f92 s LYS 61 CO 0.19 -1.07 1.93 1.57 -0.92 0.00 0.00 175.35 177.05 1f92 h LYS 62 N 10.28 0.00 0.00 1.68 2.10 -1.89 -3.11 116.57 125.63 1f92 h LYS 62 Ca -0.38 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.24 1f92 h LYS 62 Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 1f92 h LYS 62 CO 0.97 0.02 -0.17 0.93 -2.00 0.00 0.00 179.45 179.20 1f92 h GLU 62 N 0.00 0.00 -0.00 0.07 4.39 -1.90 -3.07 114.58 114.07 1f92 h GLU 62 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1f92 h GLU 62 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1f92 h GLU 62 CO 0.00 0.17 -0.00 -0.25 -1.16 0.00 0.00 179.01 177.77 1f92 n ASP 63 N -3.25 0.02 -4.70 1.42 8.00 -1.17 -4.85 116.55 112.02 1f92 n ASP 63 Ca 0.01 -0.40 -0.31 0.00 0.71 0.00 0.00 54.79 54.80 1f92 n ASP 63 Cb 0.45 -0.20 -0.08 0.00 -0.02 0.00 0.00 41.12 41.28 1f92 n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1f92 s TYR 64 N -2.41 3.04 -0.05 1.24 1.51 -1.16 0.37 117.35 119.89 1f92 s TYR 64 Ca 0.34 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.42 1f92 s TYR 64 Cb 0.21 -1.58 0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1f92 s TYR 64 CO 0.44 0.48 -0.04 0.42 -1.11 0.00 0.00 175.55 175.74 1f92 s ILE 65 N -1.27 0.52 -0.16 2.71 1.01 0.41 -4.23 121.20 120.20 1f92 s ILE 65 Ca 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 1f92 s ILE 65 Cb -0.12 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 1f92 s ILE 65 CO 0.17 0.23 -0.06 -0.69 0.00 0.00 0.00 174.94 174.60 1f92 s VAL 66 N 1.09 3.63 -0.08 2.92 1.01 -0.65 -0.38 120.40 127.94 1f92 s VAL 66 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1f92 s VAL 66 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1f92 s VAL 66 CO -0.01 0.48 -0.07 -0.31 0.00 0.00 0.00 175.10 175.19 1f92 s TYR 67 N 0.59 2.93 -0.03 5.22 2.02 0.19 -0.24 117.35 128.02 1f92 s TYR 67 Ca -0.04 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.67 1f92 s TYR 67 Cb -0.15 -1.74 -0.00 0.00 -0.40 0.00 0.00 41.96 39.67 1f92 s TYR 67 CO 0.03 0.27 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.62 1f92 s LEU 68 N -0.66 1.92 -0.33 -1.29 1.43 -0.24 -1.56 118.68 117.95 1f92 s LEU 68 Ca 0.10 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1f92 s LEU 68 Cb -0.11 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.25 1f92 s LEU 68 CO 0.02 0.15 0.07 0.61 0.23 0.00 0.00 176.35 177.42 1f92 n GLY 69 N 3.05 0.33 3.29 -3.19 0.00 -1.25 -0.16 105.19 107.27 1f92 n GLY 69 Ca -0.17 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1f92 n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f92 s ARG 70 N -4.50 3.32 0.06 1.61 3.52 -1.26 -3.92 118.95 117.77 1f92 s ARG 70 Ca 0.03 -0.66 0.22 0.00 -0.13 0.00 0.00 55.73 55.19 1f92 s ARG 70 Cb -0.01 -2.89 -0.10 0.00 -1.56 0.00 0.00 34.95 30.38 1f92 s ARG 70 CO 0.04 -0.15 0.86 0.43 -0.81 0.00 0.00 175.30 175.66 1f92 n SER 71 N 4.62 0.50 -4.39 -2.12 7.64 -1.26 -4.73 113.62 113.89 1f92 n SER 71 Ca -0.19 -0.08 -0.30 0.00 1.01 0.00 0.00 58.87 59.32 1f92 n SER 71 Cb 0.51 1.10 -0.14 0.00 -1.01 0.00 0.00 64.21 64.67 1f92 n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1f92 s ARG 72 N -3.32 1.73 0.03 1.43 0.52 -1.26 -1.83 118.95 116.25 1f92 s ARG 72 Ca -0.01 -1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 53.74 1f92 s ARG 72 Cb 0.13 -2.00 -0.17 0.00 0.52 0.00 0.00 34.95 33.43 1f92 s ARG 72 CO 0.84 0.50 1.29 1.25 0.02 0.00 0.00 175.30 179.19 1f92 h LEU 73 N 4.42 -0.86 -2.84 2.53 6.46 -0.93 -3.36 115.31 120.74 1f92 h LEU 73 Ca -0.48 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1f92 h LEU 73 Cb 1.15 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1f92 h LEU 73 CO 0.43 -0.51 0.00 0.59 -0.62 0.00 0.00 178.44 178.33 1f92 n ASN 74 N -5.46 3.69 -4.15 1.25 3.02 -1.26 -5.01 115.26 107.34 1f92 n ASN 74 Ca -0.13 -2.06 -0.10 0.00 -0.03 0.00 0.00 54.58 52.26 1f92 n ASN 74 Cb 0.41 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 39.06 1f92 n ASN 74 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1f92 s SER 75 N -1.01 0.60 0.61 6.41 1.04 -1.26 -5.15 113.70 114.93 1f92 s SER 75 Ca 0.41 -1.12 -0.15 0.00 0.48 0.00 0.00 55.95 55.56 1f92 s SER 75 Cb 0.22 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1f92 s SER 75 CO 0.26 -0.64 1.05 0.20 0.98 0.00 0.00 173.24 175.09 1f92 s ASN 76 N -3.03 5.78 -0.03 7.02 0.01 -1.26 -4.43 114.94 119.00 1f92 s ASN 76 Ca 0.18 1.75 0.03 0.00 -0.71 0.00 0.00 52.86 54.10 1f92 s ASN 76 Cb 0.07 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.21 1f92 s ASN 76 CO -0.02 -1.17 -0.10 -0.89 -1.51 0.00 0.00 177.10 173.42 1f92 s THR 77 N -2.60 0.85 0.16 1.60 2.01 -1.26 -4.88 115.64 111.52 1f92 s THR 77 Ca 0.62 -0.39 -0.32 0.00 0.31 0.00 0.00 61.69 61.91 1f92 s THR 77 Cb -0.15 -0.76 -0.11 0.00 0.01 0.00 0.00 72.50 71.49 1f92 s THR 77 CO 0.40 0.27 1.78 0.00 -0.69 0.00 0.00 174.62 176.38 1f92 n GLN 78 N 3.34 2.77 -0.28 4.92 10.64 -1.26 -1.81 117.38 135.71 1f92 n GLN 78 Ca -0.19 1.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.99 1f92 n GLN 78 Cb 0.54 -2.87 0.00 0.00 -0.86 0.00 0.00 30.24 27.04 1f92 n GLN 78 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1f92 n GLY 79 N 4.09 0.75 3.77 2.61 0.00 -1.26 -5.03 105.19 110.11 1f92 n GLY 79 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1f92 n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f92 s GLU 80 N -0.65 3.06 -0.05 1.61 -1.05 -0.75 -4.83 118.70 116.03 1f92 s GLU 80 Ca 0.00 1.60 0.04 0.00 -0.15 0.00 0.00 54.97 56.46 1f92 s GLU 80 Cb 0.00 -1.97 -0.00 0.00 -0.44 0.00 0.00 34.13 31.72 1f92 s GLU 80 CO 0.00 -1.09 -0.17 -1.64 0.95 0.00 0.00 175.26 173.31 1f92 s MET 81 N -3.55 1.95 -0.17 -4.83 -1.94 0.78 -4.97 119.30 106.58 1f92 s MET 81 Ca 0.72 -0.62 -0.08 0.00 -1.71 0.00 0.00 55.69 54.00 1f92 s MET 81 Cb -0.25 -1.64 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 1f92 s MET 81 CO 0.33 0.21 0.11 0.21 -0.01 0.00 0.00 175.02 175.87 1f92 s LYS 82 N 0.17 3.86 0.11 2.03 2.20 -1.26 -1.08 119.74 125.76 1f92 s LYS 82 Ca -0.07 -0.23 0.04 0.00 -0.36 0.00 0.00 55.97 55.35 1f92 s LYS 82 Cb -0.13 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1f92 s LYS 82 CO 0.03 0.46 -0.10 -0.06 -0.36 0.00 0.00 175.35 175.33 1f92 s PHE 83 N -0.13 1.12 0.23 4.03 0.08 0.66 -4.59 117.98 119.38 1f92 s PHE 83 Ca 0.09 -0.71 0.06 0.00 0.12 0.00 0.00 56.93 56.49 1f92 s PHE 83 Cb -0.12 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.70 1f92 s PHE 83 CO 0.00 0.02 0.20 -1.21 -0.10 0.00 0.00 175.22 174.13 1f92 s GLU 84 N -3.22 2.98 -0.51 0.44 0.41 0.20 -1.64 118.70 117.36 1f92 s GLU 84 Ca 0.10 -0.99 -0.18 0.00 -0.41 0.00 0.00 54.97 53.49 1f92 s GLU 84 Cb -0.00 -2.62 0.07 0.00 -1.78 0.00 0.00 34.13 29.80 1f92 s GLU 84 CO -0.00 0.42 0.59 0.08 -0.49 0.00 0.00 175.26 175.86 1f92 s VAL 85 N -2.04 4.94 0.33 2.63 1.01 -1.26 -1.48 120.40 124.54 1f92 s VAL 85 Ca 0.33 -0.66 0.12 0.00 0.00 0.00 0.00 61.98 61.76 1f92 s VAL 85 Cb -0.08 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.06 1f92 s VAL 85 CO 0.25 -0.79 1.75 -0.08 0.00 0.00 0.00 175.10 176.22 1f92 h GLU 86 N 8.97 0.00 -2.04 2.72 4.81 -0.45 -3.44 114.58 125.15 1f92 h GLU 86 Ca -0.28 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1f92 h GLU 86 Cb 1.10 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.27 1f92 h GLU 86 CO 0.96 0.46 -0.04 1.21 -0.73 0.00 0.00 179.01 180.87 1f92 s ASN 87 N -6.90 -0.96 -0.32 1.04 3.04 -1.13 -4.96 114.94 104.75 1f92 s ASN 87 Ca -0.02 1.49 -0.08 0.00 0.04 0.00 0.00 52.86 54.29 1f92 s ASN 87 Cb 0.14 1.59 0.02 0.00 -1.54 0.00 0.00 41.25 41.45 1f92 s ASN 87 CO 0.74 -0.23 0.12 -0.22 -3.04 0.00 0.00 177.10 174.46 1f92 s LEU 88 N 1.96 4.17 -0.32 3.21 2.96 -1.26 -0.46 118.68 128.94 1f92 s LEU 88 Ca -0.09 -0.87 -0.07 0.00 -0.22 0.00 0.00 54.13 52.88 1f92 s LEU 88 Cb -0.07 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.73 1f92 s LEU 88 CO -0.19 -0.27 0.10 -0.63 -1.32 0.00 0.00 176.35 174.04 1f92 s ILE 89 N 1.49 3.92 -0.03 6.68 1.01 0.12 -4.99 121.20 129.40 1f92 s ILE 89 Ca 0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 1f92 s ILE 89 Cb -0.18 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1f92 s ILE 89 CO 0.04 -0.05 0.11 -0.76 0.00 0.00 0.00 174.94 174.28 1f92 s LEU 90 N 1.46 4.09 0.05 2.97 1.43 -1.26 -0.68 118.68 126.75 1f92 s LEU 90 Ca 0.01 0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 1f92 s LEU 90 Cb -0.18 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.66 1f92 s LEU 90 CO 0.03 0.30 1.47 -2.28 0.23 0.00 0.00 176.35 176.10 1f92 s HIS 91 N -1.19 2.84 0.41 0.29 5.65 -1.20 -4.91 115.29 117.19 1f92 s HIS 91 Ca 0.22 0.71 0.10 0.00 0.25 0.00 0.00 55.06 56.34 1f92 s HIS 91 Cb -0.12 -3.76 0.91 0.00 -1.18 0.00 0.00 32.58 28.43 1f92 s HIS 91 CO 0.13 -2.84 2.00 -0.22 -0.65 0.00 0.00 174.74 173.15 1f92 h LYS 92 N 7.67 0.52 -0.66 2.88 3.64 -1.94 -2.63 116.57 126.06 1f92 h LYS 92 Ca -0.40 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1f92 h LYS 92 Cb 1.19 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1f92 h LYS 92 CO 0.90 0.35 0.00 -0.25 -2.27 0.00 0.00 179.45 178.18 1f92 n ASP 93 N -4.48 4.01 -4.75 4.20 8.00 -1.26 -4.97 116.55 117.29 1f92 n ASP 93 Ca 0.08 -2.50 -0.41 0.00 0.71 0.00 0.00 54.79 52.67 1f92 n ASP 93 Cb 0.25 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 1f92 n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1f92 s TYR 94 N -2.02 2.91 0.03 1.24 5.04 -0.99 -4.69 117.35 118.86 1f92 s TYR 94 Ca 0.38 1.05 -0.14 0.00 -2.44 0.00 0.00 57.07 55.92 1f92 s TYR 94 Cb 0.27 -3.88 0.02 0.00 0.35 0.00 0.00 41.96 38.72 1f92 s TYR 94 CO 0.14 -2.79 0.31 -1.54 -1.34 0.00 0.00 175.55 170.34 1f92 s SER 95 N 0.19 -0.15 -0.13 4.32 1.04 -1.07 -5.01 113.70 112.89 1f92 s SER 95 Ca 0.58 -0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.88 1f92 s SER 95 Cb -0.43 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1f92 s SER 95 CO 0.48 -0.58 -0.04 0.00 0.98 0.00 0.00 173.24 174.08 1f92 s ALA 96 N -2.26 1.23 0.36 5.32 0.00 -1.26 -0.71 121.76 124.43 1f92 s ALA 96 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1f92 s ALA 96 Cb -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1f92 s ALA 96 CO -0.01 -0.62 0.00 -0.25 0.00 0.00 0.00 175.76 174.88 1f92 n ASP 97 N 4.97 0.00 0.09 0.00 9.92 -0.43 -4.99 116.55 126.11 1f92 n ASP 97 Ca -0.11 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.03 1f92 n ASP 97 Cb 0.49 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.91 1f92 n ASP 97 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1f92 h THR 97 N 0.00 0.62 0.00 -3.53 2.02 -2.02 -3.41 112.91 106.59 1f92 h THR 97 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1f92 h THR 97 Cb 0.00 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1f92 h THR 97 CO 0.00 0.00 -0.77 0.18 0.37 0.00 0.00 175.52 175.30 1f92 n LEU 97 N -5.29 0.60 -4.76 2.58 4.77 -1.26 -5.08 117.00 108.56 1f92 n LEU 97 Ca -0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.51 1f92 n LEU 97 Cb 0.21 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1f92 n LEU 97 CO 0.28 0.02 1.08 0.00 -1.33 0.00 0.00 177.39 177.43 1f92 s ALA 98 N -1.94 3.57 -0.28 -1.18 0.00 -1.26 -4.73 121.76 115.93 1f92 s ALA 98 Ca 0.00 1.39 0.03 0.00 0.00 0.00 0.00 51.96 53.38 1f92 s ALA 98 Cb 0.00 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.64 1f92 s ALA 98 CO 0.00 -0.82 -0.04 -1.01 0.00 0.00 0.00 175.76 173.89 1f92 s HIS 99 N -0.77 3.24 0.24 0.00 3.76 -1.26 -1.31 115.29 119.18 1f92 s HIS 99 Ca 0.54 -2.44 -0.26 0.00 -0.15 0.00 0.00 55.06 52.74 1f92 s HIS 99 Cb -0.43 -2.19 -0.09 0.00 1.11 0.00 0.00 32.58 30.98 1f92 s HIS 99 CO 0.53 -0.89 0.86 -1.01 -0.85 0.00 0.00 174.74 173.39 1f92 s HIS 100 N 1.10 3.85 -1.43 1.40 3.76 0.11 -4.05 115.29 120.03 1f92 s HIS 100 Ca -0.01 1.73 -0.05 0.00 -0.15 0.00 0.00 55.06 56.58 1f92 s HIS 100 Cb -0.19 -2.85 0.03 0.00 1.11 0.00 0.00 32.58 30.68 1f92 s HIS 100 CO -0.07 0.40 0.67 0.09 -0.85 0.00 0.00 174.74 174.98 1f92 n ASN 101 N 1.19 -1.81 -4.31 1.40 3.02 -1.26 -2.61 115.26 110.87 1f92 n ASN 101 Ca -0.02 -0.90 -0.43 0.00 -0.03 0.00 0.00 54.58 53.20 1f92 n ASN 101 Cb 0.49 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 1f92 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1f92 n ASP 102 N -2.95 4.81 -3.81 6.41 -0.08 -1.26 -4.46 116.55 115.22 1f92 n ASP 102 Ca -0.20 -2.94 -0.12 0.00 -1.51 0.00 0.00 54.79 50.02 1f92 n ASP 102 Cb 0.63 -1.66 -0.09 0.00 2.34 0.00 0.00 41.12 42.33 1f92 n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1f92 s ILE 103 N 3.02 0.06 0.08 5.18 2.07 -1.26 -4.34 121.20 126.00 1f92 s ILE 103 Ca 0.49 -0.52 -0.18 0.00 -1.41 0.00 0.00 60.65 59.03 1f92 s ILE 103 Cb 0.05 -0.52 0.04 0.00 0.13 0.00 0.00 42.46 42.16 1f92 s ILE 103 CO 0.02 -0.28 0.43 0.00 -1.91 0.00 0.00 174.94 173.19 1f92 s ALA 104 N -1.22 -1.04 -0.04 1.50 0.00 -0.25 -3.26 121.76 117.45 1f92 s ALA 104 Ca -0.13 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.11 1f92 s ALA 104 Cb -0.06 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 1f92 s ALA 104 CO 0.03 -0.54 -0.19 -0.51 0.00 0.00 0.00 175.76 174.56 1f92 s LEU 105 N -2.30 1.96 -0.23 0.00 1.43 0.15 -0.97 118.68 118.71 1f92 s LEU 105 Ca -0.02 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1f92 s LEU 105 Cb 0.00 -1.03 0.06 0.00 0.03 0.00 0.00 46.19 45.25 1f92 s LEU 105 CO -0.06 0.18 -0.07 -0.76 0.23 0.00 0.00 176.35 175.87 1f92 s LEU 106 N -0.09 2.69 -0.16 1.79 1.02 0.11 0.11 118.68 124.15 1f92 s LEU 106 Ca -0.02 -1.17 -0.27 0.00 0.02 0.00 0.00 54.13 52.70 1f92 s LEU 106 Cb -0.11 -1.26 -0.01 0.00 0.02 0.00 0.00 46.19 44.83 1f92 s LEU 106 CO 0.02 -0.21 0.89 -0.75 0.02 0.00 0.00 176.35 176.32 1f92 s LYS 107 N 1.34 4.33 0.29 1.70 2.20 0.39 -1.75 119.74 128.24 1f92 s LYS 107 Ca -0.06 1.14 0.07 0.00 -0.36 0.00 0.00 55.97 56.76 1f92 s LYS 107 Cb -0.19 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1f92 s LYS 107 CO -0.06 -0.34 0.31 0.96 -0.36 0.00 0.00 175.35 175.86 1f92 s ILE 108 N 2.17 4.22 -0.28 5.43 -4.36 -0.77 0.29 121.20 127.91 1f92 s ILE 108 Ca 0.41 -1.24 -0.20 0.00 -0.26 0.00 0.00 60.65 59.37 1f92 s ILE 108 Cb -0.17 -3.41 0.11 0.00 1.25 0.00 0.00 42.46 40.24 1f92 s ILE 108 CO 0.13 -0.25 0.89 0.00 0.24 0.00 0.00 174.94 175.96 1f92 s ARG 109 N -3.98 0.55 1.11 0.37 1.70 -0.55 -4.71 118.95 113.43 1f92 s ARG 109 Ca 0.38 0.82 -0.19 0.00 -0.47 0.00 0.00 55.73 56.27 1f92 s ARG 109 Cb -0.08 0.18 0.27 0.00 -0.57 0.00 0.00 34.95 34.75 1f92 s ARG 109 CO 0.27 -0.09 1.23 -1.13 -1.08 0.00 0.00 175.30 174.50 1f92 n SER 110 N 3.31 -0.97 0.25 -2.89 3.41 -0.11 -0.63 113.62 115.99 1f92 n SER 110 Ca -0.17 -1.34 0.12 0.00 -0.26 0.00 0.00 58.87 57.23 1f92 n SER 110 Cb 0.57 -1.02 0.63 0.00 -0.26 0.00 0.00 64.21 64.13 1f92 n SER 110 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1f92 h LYS 110 N 0.00 0.00 -0.00 4.33 1.57 -1.90 -2.05 116.57 118.52 1f92 h LYS 110 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1f92 h LYS 110 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1f92 h LYS 110 CO 0.29 0.16 -0.05 0.39 -0.57 0.00 0.00 179.45 179.66 1f92 n GLU 110 N -3.49 0.48 -0.72 3.15 4.71 -1.26 -4.90 120.64 118.60 1f92 n GLU 110 Ca -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 1f92 n GLU 110 Cb 0.32 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1f92 n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1f92 n GLY 110 N 1.30 0.78 3.95 0.62 0.00 -0.77 -5.05 105.19 106.02 1f92 n GLY 110 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1f92 n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f92 s ARG 110 N -0.28 2.25 0.00 1.61 0.52 -1.26 -4.73 118.95 117.07 1f92 s ARG 110 Ca 0.00 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 1f92 s ARG 110 Cb 0.00 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1f92 s ARG 110 CO 0.00 -1.07 0.00 0.00 0.02 0.00 0.00 175.30 174.25 1f92 s ALA 112 N -2.00 3.57 -0.35 0.00 0.00 0.05 -4.86 121.76 118.17 1f92 s ALA 112 Ca 0.00 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.49 1f92 s ALA 112 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1f92 s ALA 112 CO 0.00 -1.44 0.71 -0.65 0.00 0.00 0.00 175.76 174.38 1f92 s GLN 113 N 4.02 3.73 0.23 0.00 -0.21 -1.26 -4.75 119.66 121.42 1f92 s GLN 113 Ca 0.69 0.20 -0.31 0.00 0.02 0.00 0.00 55.36 55.95 1f92 s GLN 113 Cb -0.29 -3.80 -0.14 0.00 1.00 0.00 0.00 33.01 29.78 1f92 s GLN 113 CO 0.26 -0.78 1.33 -2.30 -2.12 0.00 0.00 175.29 171.68 1f92 n PRO 114 N 6.20 1.81 -1.36 2.91 -0.02 -1.26 -4.87 135.00 138.41 1f92 n PRO 114 Ca 0.01 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1f92 n PRO 114 Cb 0.48 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1f92 n PRO 114 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1f92 n SER 115 N 2.01 0.00 0.23 2.55 3.41 -0.68 -4.97 113.62 116.16 1f92 n SER 115 Ca 0.12 -0.88 0.11 0.00 -0.26 0.00 0.00 58.87 57.96 1f92 n SER 115 Cb 0.30 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.68 1f92 n SER 115 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1f92 h ARG 116 N 0.00 0.00 -0.01 4.33 2.43 -1.99 -3.19 114.38 115.95 1f92 h ARG 116 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f92 h ARG 116 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1f92 h ARG 116 CO 0.00 0.17 -0.16 0.25 -1.51 0.00 0.00 179.97 178.72 1f92 n THR 117 N -3.26 0.00 -3.55 0.20 -2.24 -1.26 -4.73 114.28 99.44 1f92 n THR 117 Ca 0.01 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.08 1f92 n THR 117 Cb 0.45 1.20 -0.13 0.00 -2.10 0.00 0.00 70.33 69.75 1f92 n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1f92 s ILE 118 N -1.40 0.47 0.20 2.28 1.01 -1.20 -3.81 121.20 118.75 1f92 s ILE 118 Ca 0.12 -1.77 0.11 0.00 0.00 0.00 0.00 60.65 59.11 1f92 s ILE 118 Cb 0.11 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1f92 s ILE 118 CO 0.26 -0.91 -0.21 -1.10 0.00 0.00 0.00 174.94 172.97 1f92 s GLN 119 N 1.07 1.46 0.01 2.79 -0.21 -0.56 -1.69 119.66 122.53 1f92 s GLN 119 Ca 0.16 -1.52 -0.11 0.00 0.02 0.00 0.00 55.36 53.90 1f92 s GLN 119 Cb -0.22 -1.66 -0.05 0.00 1.00 0.00 0.00 33.01 32.08 1f92 s GLN 119 CO -0.06 0.34 0.36 0.95 -2.12 0.00 0.00 175.29 174.76 1f92 s THR 120 N -1.93 5.14 -0.02 -0.19 -4.23 -1.26 -2.82 115.64 110.33 1f92 s THR 120 Ca 0.20 0.57 -0.06 0.00 -1.18 0.00 0.00 61.69 61.22 1f92 s THR 120 Cb -0.07 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 1f92 s THR 120 CO 0.09 0.48 0.22 -0.51 -0.54 0.00 0.00 174.62 174.36 1f92 s ILE 121 N -1.19 5.37 0.58 2.99 2.07 -0.66 -4.97 121.20 125.38 1f92 s ILE 121 Ca 0.26 0.12 -0.17 0.00 -1.41 0.00 0.00 60.65 59.44 1f92 s ILE 121 Cb -0.15 -3.53 -0.04 0.00 0.13 0.00 0.00 42.46 38.87 1f92 s ILE 121 CO 0.14 0.41 1.09 -0.44 -1.91 0.00 0.00 174.94 174.23 1f92 s SER 122 N -1.60 5.67 0.31 4.50 0.01 -1.24 -4.57 113.70 116.78 1f92 s SER 122 Ca 0.25 1.99 0.01 0.00 1.31 0.00 0.00 55.95 59.51 1f92 s SER 122 Cb -0.13 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 1f92 s SER 122 CO 0.14 -1.24 0.50 -0.76 0.41 0.00 0.00 173.24 172.28 1f92 s LEU 123 N -4.23 4.10 0.60 2.44 1.43 -1.26 -0.87 118.68 120.88 1f92 s LEU 123 Ca 0.68 0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 54.05 1f92 s LEU 123 Cb -0.19 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 1f92 s LEU 123 CO 0.32 -0.23 0.95 -2.16 0.23 0.00 0.00 176.35 175.47 1f92 s PRO 124 N -4.18 3.21 0.70 1.29 0.04 -1.26 -4.85 135.00 129.94 1f92 s PRO 124 Ca 0.38 0.33 -0.11 0.00 0.04 0.00 0.00 61.00 61.65 1f92 s PRO 124 Cb -0.10 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1f92 s PRO 124 CO 0.34 -0.64 1.07 -1.12 0.04 0.00 0.00 177.00 176.69 1f92 s SER 125 N -4.24 5.43 -0.24 6.66 0.01 -1.26 -4.91 113.70 115.16 1f92 s SER 125 Ca 0.54 1.43 -0.35 0.00 1.31 0.00 0.00 55.95 58.87 1f92 s SER 125 Cb -0.11 -2.31 -0.12 0.00 0.21 0.00 0.00 66.02 63.70 1f92 s SER 125 CO 0.49 -1.38 1.99 0.23 0.41 0.00 0.00 173.24 174.98 1f92 n MET 126 N -3.07 1.54 -0.71 12.44 2.81 -1.26 -1.64 117.12 127.23 1f92 n MET 126 Ca 0.07 0.51 0.00 0.00 -1.81 0.00 0.00 57.70 56.47 1f92 n MET 126 Cb 0.55 -2.50 0.00 0.00 -0.71 0.00 0.00 33.22 30.55 1f92 n MET 126 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1f92 n TYR 127 N 7.91 0.00 -2.80 2.03 0.53 -1.20 -4.94 117.16 118.70 1f92 n TYR 127 Ca 0.31 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.76 1f92 n TYR 127 Cb 0.25 -1.35 -0.04 0.00 -1.03 0.00 0.00 39.34 37.17 1f92 n TYR 127 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1f92 s ASN 128 N -2.13 6.19 0.33 7.72 2.47 -0.65 -5.01 114.94 123.87 1f92 s ASN 128 Ca 0.00 -0.95 0.09 0.00 0.42 0.00 0.00 52.86 52.42 1f92 s ASN 128 Cb 0.00 -2.44 -0.05 0.00 -1.45 0.00 0.00 41.25 37.30 1f92 s ASN 128 CO 0.00 -1.49 0.01 -1.81 -3.72 0.00 0.00 177.10 170.09 1f92 s ASP 129 N 3.71 4.21 0.28 -4.21 1.01 -1.26 -4.28 116.67 116.13 1f92 s ASP 129 Ca 0.25 -0.96 -0.29 0.00 0.71 0.00 0.00 52.55 52.25 1f92 s ASP 129 Cb -0.15 -0.55 -0.10 0.00 1.01 0.00 0.00 42.92 43.14 1f92 s ASP 129 CO 0.10 -0.22 1.13 -2.84 0.21 0.00 0.00 175.17 173.54 1f92 s PRO 130 N -3.71 4.60 0.46 8.23 0.02 -1.26 -4.97 135.00 138.37 1f92 s PRO 130 Ca 0.35 1.85 -0.24 0.00 0.02 0.00 0.00 61.00 62.98 1f92 s PRO 130 Cb -0.01 -3.18 -0.09 0.00 0.02 0.00 0.00 34.50 31.25 1f92 s PRO 130 CO 0.19 0.16 1.21 0.94 -0.33 0.00 0.00 177.00 179.17 1f92 n GLN 131 N 1.22 1.70 -1.76 5.54 -0.06 -1.26 -4.89 117.38 117.87 1f92 n GLN 131 Ca -0.01 0.61 -0.41 0.00 -2.00 0.00 0.00 57.00 55.19 1f92 n GLN 131 Cb 0.44 -2.34 -0.01 0.00 -4.06 0.00 0.00 30.24 24.27 1f92 n GLN 131 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1f92 n PHE 132 N -0.55 2.92 0.00 3.69 3.01 -1.26 -2.63 117.46 122.64 1f92 n PHE 132 Ca 0.08 0.34 0.00 0.00 1.01 0.00 0.00 57.45 58.89 1f92 n PHE 132 Cb 0.41 -2.57 0.00 0.00 -0.01 0.00 0.00 39.48 37.31 1f92 n PHE 132 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1f92 n GLY 133 N 1.36 0.67 3.80 1.37 0.00 -0.13 -4.99 105.19 107.27 1f92 n GLY 133 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1f92 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f92 s THR 134 N -2.00 4.60 0.13 2.61 2.01 -1.08 -4.72 115.64 117.19 1f92 s THR 134 Ca 0.00 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.05 1f92 s THR 134 Cb 0.00 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 1f92 s THR 134 CO 0.00 0.44 0.98 -0.44 -0.69 0.00 0.00 174.62 174.91 1f92 s SER 135 N -1.30 7.48 0.05 3.53 0.01 -1.26 -1.48 113.70 120.73 1f92 s SER 135 Ca 0.35 1.84 -0.00 0.00 1.31 0.00 0.00 55.95 59.45 1f92 s SER 135 Cb -0.20 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 1f92 s SER 135 CO 0.22 -0.08 -0.04 0.00 0.41 0.00 0.00 173.24 173.75 1f92 s GLU 137 N -3.40 2.37 0.02 0.00 -1.05 0.64 -0.72 118.70 116.56 1f92 s GLU 137 Ca 0.03 -1.02 0.04 0.00 -0.15 0.00 0.00 54.97 53.87 1f92 s GLU 137 Cb 0.04 -2.39 -0.02 0.00 -0.44 0.00 0.00 34.13 31.32 1f92 s GLU 137 CO -0.07 0.49 -0.11 0.96 0.95 0.00 0.00 175.26 177.48 1f92 s ILE 138 N -1.49 0.85 0.08 1.83 -4.36 -0.91 0.14 121.20 117.34 1f92 s ILE 138 Ca 0.26 -0.77 0.06 0.00 -0.26 0.00 0.00 60.65 59.94 1f92 s ILE 138 Cb -0.10 -0.77 -0.03 0.00 1.25 0.00 0.00 42.46 42.80 1f92 s ILE 138 CO 0.17 0.02 -0.15 -0.89 0.24 0.00 0.00 174.94 174.33 1f92 s THR 139 N -0.68 1.23 0.00 8.37 2.01 -1.22 -2.36 115.64 122.99 1f92 s THR 139 Ca 0.00 -1.39 0.00 0.00 0.31 0.00 0.00 61.69 60.61 1f92 s THR 139 Cb -0.06 -1.20 0.00 0.00 0.01 0.00 0.00 72.50 71.25 1f92 s THR 139 CO 0.00 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 1f92 n GLY 140 N 1.17 0.39 1.04 4.40 0.00 -0.74 -4.49 105.19 106.95 1f92 n GLY 140 Ca -0.20 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 44.97 1f92 n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1f92 n PHE 141 N -0.24 1.11 -1.35 1.61 3.72 -1.26 -1.73 117.46 119.32 1f92 n PHE 141 Ca 0.00 -0.85 -0.29 0.00 -0.05 0.00 0.00 57.45 56.26 1f92 n PHE 141 Cb 0.00 -0.34 0.17 0.00 -0.94 0.00 0.00 39.48 38.37 1f92 n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1f92 s GLY 142 N -1.76 1.58 0.50 1.37 0.00 -1.26 -3.91 107.32 103.84 1f92 s GLY 142 Ca 0.44 -0.53 -0.22 0.00 0.00 0.00 0.00 44.72 44.41 1f92 s GLY 142 CO 0.10 0.09 1.00 0.28 0.00 0.00 0.00 173.10 174.57 1f92 n LYS 143 N -4.04 1.20 0.04 2.90 5.02 -0.65 -1.63 118.16 121.00 1f92 n LYS 143 Ca 0.07 0.44 0.11 0.00 -2.02 0.00 0.00 58.31 56.91 1f92 n LYS 143 Cb 0.59 -2.12 0.02 0.00 -0.02 0.00 0.00 35.03 33.49 1f92 n LYS 143 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1f92 n GLU 144 N -0.35 0.39 -3.70 1.97 1.02 -1.26 -0.52 120.64 118.19 1f92 n GLU 144 Ca 0.11 0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.12 1f92 n GLU 144 Cb 0.43 -1.65 -0.08 0.00 -0.02 0.00 0.00 31.44 30.12 1f92 n GLU 144 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1f92 s ASN 145 N -4.33 -0.33 0.46 1.62 0.01 -1.26 -4.13 114.94 106.99 1f92 s ASN 145 Ca 0.02 0.31 0.22 0.00 -0.71 0.00 0.00 52.86 52.70 1f92 s ASN 145 Cb 0.13 0.42 1.13 0.00 0.41 0.00 0.00 41.25 43.34 1f92 s ASN 145 CO 0.80 -0.46 1.96 0.28 -1.51 0.00 0.00 177.10 178.17 1f92 h SER 146 N 3.81 0.00 1.17 -1.22 0.02 -1.91 -2.53 113.55 112.90 1f92 h SER 146 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1f92 h SER 146 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1f92 h SER 146 CO 0.38 0.21 0.00 0.71 -1.14 0.00 0.00 176.83 176.99 1f92 h THR 147 N 0.00 0.00 -4.05 -2.27 1.35 -2.01 -3.45 112.91 102.48 1f92 h THR 147 Ca -0.00 -0.50 -0.49 0.00 -0.55 0.00 0.00 66.41 64.87 1f92 h THR 147 Cb 0.49 1.41 0.05 0.00 -1.73 0.00 0.00 68.15 68.37 1f92 h THR 147 CO 0.03 0.00 0.43 -1.81 -0.25 0.00 0.00 175.52 173.91 1f92 s ASP 148 N -5.11 6.12 0.00 5.36 1.11 -0.95 -4.95 116.67 118.25 1f92 s ASP 148 Ca 0.05 2.11 0.02 0.00 0.18 0.00 0.00 52.55 54.91 1f92 s ASP 148 Cb 0.09 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.53 1f92 s ASP 148 CO 0.52 -0.94 0.68 0.00 1.18 0.00 0.00 175.17 176.61 1f92 n TYR 149 N -0.90 0.02 -4.27 4.23 4.11 -1.26 -4.97 117.16 114.12 1f92 n TYR 149 Ca 0.09 -0.10 -0.23 0.00 -0.00 0.00 0.00 57.90 57.66 1f92 n TYR 149 Cb 0.51 -0.01 -0.12 0.00 -0.00 0.00 0.00 39.34 39.72 1f92 n TYR 149 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1f92 s LEU 150 N -0.37 2.32 0.25 -3.48 1.43 -1.26 -5.15 118.68 112.42 1f92 s LEU 150 Ca 0.03 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.34 1f92 s LEU 150 Cb 0.02 -0.82 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 1f92 s LEU 150 CO 0.03 0.02 0.56 -0.31 0.23 0.00 0.00 176.35 176.89 1f92 s TYR 151 N -1.31 3.43 0.26 0.29 2.02 -1.26 -4.69 117.35 116.09 1f92 s TYR 151 Ca 0.06 0.85 -0.29 0.00 -0.37 0.00 0.00 57.07 57.32 1f92 s TYR 151 Cb -0.09 -2.25 -0.09 0.00 -0.40 0.00 0.00 41.96 39.12 1f92 s TYR 151 CO 0.04 0.24 1.17 -1.25 -1.57 0.00 0.00 175.55 174.18 1f92 s PRO 152 N -2.97 4.54 0.23 -1.71 0.04 -1.25 -4.95 135.00 128.93 1f92 s PRO 152 Ca 0.47 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 63.38 1f92 s PRO 152 Cb -0.11 -3.18 0.23 0.00 0.04 0.00 0.00 34.50 31.48 1f92 s PRO 152 CO 0.23 0.04 1.70 0.93 0.04 0.00 0.00 177.00 179.94 1f92 h GLU 153 N 4.16 0.87 -6.08 4.56 4.39 -1.96 -3.43 114.58 117.08 1f92 h GLU 153 Ca -0.46 -0.27 -0.58 0.00 0.34 0.00 0.00 59.36 58.39 1f92 h GLU 153 Cb 1.21 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.73 1f92 h GLU 153 CO 0.69 0.89 -0.07 -1.14 -1.16 0.00 0.00 179.01 178.22 1f92 s GLN 154 N -4.92 4.21 0.26 2.33 2.00 -1.26 -0.31 119.66 121.96 1f92 s GLN 154 Ca -0.10 0.64 -0.31 0.00 -2.00 0.00 0.00 55.36 53.59 1f92 s GLN 154 Cb 0.14 -3.29 -0.12 0.00 0.80 0.00 0.00 33.01 30.54 1f92 s GLN 154 CO 0.83 0.50 1.66 -1.17 -0.50 0.00 0.00 175.29 176.60 1f92 s LEU 155 N -0.58 4.35 0.32 3.68 2.96 -0.76 -4.87 118.68 123.78 1f92 s LEU 155 Ca 0.28 2.94 0.09 0.00 -0.22 0.00 0.00 54.13 57.22 1f92 s LEU 155 Cb -0.18 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.84 1f92 s LEU 155 CO 0.16 -0.95 0.05 -0.54 -1.32 0.00 0.00 176.35 173.75 1f92 s LYS 156 N 0.16 2.23 0.15 1.98 1.02 -0.70 0.02 119.74 124.60 1f92 s LYS 156 Ca 0.68 -1.59 -0.18 0.00 0.02 0.00 0.00 55.97 54.90 1f92 s LYS 156 Cb -0.49 -2.08 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1f92 s LYS 156 CO 0.42 0.19 0.48 0.00 -0.92 0.00 0.00 175.35 175.53 1f92 s MET 157 N -3.75 1.21 0.27 1.68 0.23 -0.50 -1.80 119.30 116.63 1f92 s MET 157 Ca 0.35 -0.69 -0.21 0.00 -1.03 0.00 0.00 55.69 54.11 1f92 s MET 157 Cb -0.03 0.51 0.02 0.00 -1.53 0.00 0.00 34.83 33.81 1f92 s MET 157 CO 0.21 -0.50 0.70 -0.08 -2.03 0.00 0.00 175.02 173.32 1f92 s THR 158 N -3.81 0.00 -0.08 3.16 -1.32 -0.99 -1.59 115.64 111.00 1f92 s THR 158 Ca 0.04 -0.91 0.02 0.00 -1.21 0.00 0.00 61.69 59.63 1f92 s THR 158 Cb 0.00 -1.91 -0.02 0.00 -1.51 0.00 0.00 72.50 69.07 1f92 s THR 158 CO -0.10 -0.00 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.48 1f92 s VAL 159 N -3.91 3.03 0.16 5.08 1.01 -1.26 -2.13 120.40 122.38 1f92 s VAL 159 Ca 0.10 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1f92 s VAL 159 Cb -0.05 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1f92 s VAL 159 CO 0.05 0.56 -0.06 0.68 0.00 0.00 0.00 175.10 176.34 1f92 s VAL 160 N -0.28 0.96 -0.14 2.92 -7.23 0.10 -4.79 120.40 111.95 1f92 s VAL 160 Ca 0.02 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 1f92 s VAL 160 Cb -0.13 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 1f92 s VAL 160 CO 0.03 -0.64 0.01 -0.54 -0.31 0.00 0.00 175.10 173.65 1f92 s LYS 161 N -3.82 3.53 0.20 4.82 1.02 -0.43 -0.65 119.74 124.41 1f92 s LYS 161 Ca 0.19 -0.42 -0.31 0.00 0.02 0.00 0.00 55.97 55.46 1f92 s LYS 161 Cb 0.04 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 34.29 1f92 s LYS 161 CO 0.02 0.42 1.44 -0.51 -0.92 0.00 0.00 175.35 175.81 1f92 s LEU 162 N -0.10 4.38 -0.10 3.17 1.02 -0.55 -1.48 118.68 125.02 1f92 s LEU 162 Ca 0.04 2.56 0.01 0.00 0.02 0.00 0.00 54.13 56.76 1f92 s LEU 162 Cb -0.13 -3.61 -0.02 0.00 0.02 0.00 0.00 46.19 42.46 1f92 s LEU 162 CO 0.02 -0.70 -0.12 -0.63 0.02 0.00 0.00 176.35 174.94 1f92 s ILE 163 N 0.50 3.18 0.83 -0.59 1.01 0.24 -0.96 121.20 125.42 1f92 s ILE 163 Ca 0.63 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 1f92 s ILE 163 Cb -0.41 -2.31 0.09 0.00 0.01 0.00 0.00 42.46 39.84 1f92 s ILE 163 CO 0.37 0.55 1.17 -1.54 0.00 0.00 0.00 174.94 175.49 1f92 n SER 164 N 3.05 0.83 0.22 3.58 3.41 -1.26 -3.93 113.62 119.52 1f92 n SER 164 Ca -0.18 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.03 1f92 n SER 164 Cb 0.53 -1.50 0.48 0.00 -0.26 0.00 0.00 64.21 63.46 1f92 n SER 164 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1f92 h HIS 999 N -1.10 0.01 -0.25 7.33 2.76 -1.96 -1.90 115.15 120.04 1f92 h HIS 999 Ca -0.46 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.67 1f92 h HIS 999 Cb 1.29 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.24 1f92 h HIS 999 CO 0.47 0.21 -0.00 -0.09 -1.30 0.00 0.00 177.93 177.21 1f92 h ARG 166 N 0.00 0.45 -0.40 5.26 2.43 -1.97 -0.62 114.38 119.54 1f92 h ARG 166 Ca -0.00 -0.15 -0.14 0.00 -0.81 0.00 0.00 59.98 58.89 1f92 h ARG 166 Cb 0.37 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1f92 h ARG 166 CO 0.03 0.62 -0.29 1.49 -1.51 0.00 0.00 179.97 180.31 1f92 h GLU 167 N 0.22 0.89 0.00 0.20 4.81 -1.84 -3.15 114.58 115.71 1f92 h GLU 167 Ca 0.07 -0.43 -0.09 0.00 -0.13 0.00 0.00 59.36 58.78 1f92 h GLU 167 Cb 0.42 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1f92 h GLU 167 CO 0.01 1.08 -0.41 0.00 -0.73 0.00 0.00 179.01 178.97 1f92 n GLN 169 N -3.52 0.76 -1.10 0.00 7.27 -0.24 -1.54 117.38 119.01 1f92 n GLN 169 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.75 1f92 n GLN 169 Cb 0.54 -1.50 0.12 0.00 2.41 0.00 0.00 30.24 31.82 1f92 n GLN 169 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1f92 s GLN 170 N -2.21 1.67 0.11 3.69 -1.52 -1.09 -3.48 119.66 116.84 1f92 s GLN 170 Ca 0.39 1.61 -0.23 0.00 -1.95 0.00 0.00 55.36 55.19 1f92 s GLN 170 Cb 0.21 -1.79 -0.07 0.00 -0.22 0.00 0.00 33.01 31.13 1f92 s GLN 170 CO 0.39 -2.16 1.69 -1.35 -0.25 0.00 0.00 175.29 173.62 1f92 h PRO 170 N -1.06 -0.14 0.00 2.91 0.11 -1.90 0.16 132.00 132.08 1f92 h PRO 170 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1f92 h PRO 170 Cb 1.28 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1f92 h PRO 170 CO 0.46 -0.09 0.00 0.72 -0.21 0.00 0.00 178.00 178.88 1f92 n HIS 170 N -5.23 0.13 0.00 0.65 8.25 -1.26 -4.25 115.22 113.51 1f92 n HIS 170 Ca -0.05 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1f92 n HIS 170 Cb 0.15 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.69 1f92 n HIS 170 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1f92 n TYR 171 N -1.62 0.00 -0.43 4.41 4.02 -0.92 -4.80 117.16 117.82 1f92 n TYR 171 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1f92 n TYR 171 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 1f92 n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1f92 n TYR 172 N 0.00 0.00 -4.13 -0.72 4.01 -0.59 -4.86 117.16 110.86 1f92 n TYR 172 Ca 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1f92 n TYR 172 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1f92 n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1f92 n GLY 173 N -0.08 1.24 0.00 2.72 0.00 0.50 -1.90 105.19 107.67 1f92 n GLY 173 Ca 0.00 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.56 1f92 n GLY 173 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f92 n SER 174 N -2.67 0.00 0.07 1.61 7.64 -1.26 -3.59 113.62 115.42 1f92 n SER 174 Ca 0.00 -0.25 0.05 0.00 1.01 0.00 0.00 58.87 59.68 1f92 n SER 174 Cb 0.00 -0.18 0.48 0.00 -1.01 0.00 0.00 64.21 63.50 1f92 n SER 174 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1f92 h GLU 175 N 0.00 0.39 -5.87 1.43 4.39 -1.75 -3.40 114.58 109.76 1f92 h GLU 175 Ca 0.00 -0.03 -0.57 0.00 0.34 0.00 0.00 59.36 59.10 1f92 h GLU 175 Cb 0.12 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.61 1f92 h GLU 175 CO 0.00 0.27 0.05 0.14 -1.16 0.00 0.00 179.01 178.31 1f92 s VAL 176 N -5.34 5.07 0.55 3.13 -7.23 -1.24 -4.77 120.40 110.57 1f92 s VAL 176 Ca -0.07 1.28 0.08 0.00 -1.81 0.00 0.00 61.98 61.46 1f92 s VAL 176 Cb 0.17 -3.97 0.06 0.00 0.56 0.00 0.00 36.38 33.21 1f92 s VAL 176 CO 0.72 0.23 0.64 0.42 -0.31 0.00 0.00 175.10 176.80 1f92 s THR 177 N 1.07 2.07 -0.05 5.32 -4.23 -1.26 -4.91 115.64 113.65 1f92 s THR 177 Ca 0.33 -1.16 0.31 0.00 -1.18 0.00 0.00 61.69 59.99 1f92 s THR 177 Cb -0.17 -2.23 0.35 0.00 1.34 0.00 0.00 72.50 71.79 1f92 s THR 177 CO 0.14 0.00 1.92 0.71 -0.54 0.00 0.00 174.62 176.85 1f92 h THR 178 N 0.42 0.00 -0.15 3.99 1.35 -1.97 -2.17 112.91 114.37 1f92 h THR 178 Ca -0.33 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1f92 h THR 178 Cb 1.29 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1f92 h THR 178 CO 0.47 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.03 1f92 n LYS 179 N -2.84 1.83 -4.06 4.72 5.02 -1.26 -4.84 118.16 116.73 1f92 n LYS 179 Ca 0.01 -0.75 -0.12 0.00 -2.02 0.00 0.00 58.31 55.43 1f92 n LYS 179 Cb 0.27 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 1f92 n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1f92 s MET 180 N -1.52 0.53 0.04 1.97 -1.94 -0.82 -2.08 119.30 115.48 1f92 s MET 180 Ca 0.13 -0.81 0.08 0.00 -1.71 0.00 0.00 55.69 53.38 1f92 s MET 180 Cb 0.09 -0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.71 1f92 s MET 180 CO 0.05 0.02 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.33 1f92 s LEU 181 N -1.77 2.16 -0.11 -0.03 1.43 0.29 -4.82 118.68 115.84 1f92 s LEU 181 Ca -0.08 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1f92 s LEU 181 Cb -0.08 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1f92 s LEU 181 CO -0.01 0.22 -0.03 0.00 0.23 0.00 0.00 176.35 176.76 1f92 s ALA 183 N -0.38 -0.34 0.19 0.00 0.00 -0.83 0.83 121.76 121.24 1f92 s ALA 183 Ca 0.06 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.31 1f92 s ALA 183 Cb -0.12 -0.32 0.05 0.00 0.00 0.00 0.00 23.12 22.73 1f92 s ALA 183 CO 0.02 -0.10 0.68 0.00 0.00 0.00 0.00 175.76 176.36 1f92 s ALA 184 N 0.46 -1.48 0.02 0.00 0.00 -0.55 -1.50 121.76 118.70 1f92 s ALA 184 Ca -0.03 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 1f92 s ALA 184 Cb -0.05 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1f92 s ALA 184 CO -0.02 -0.87 1.00 0.34 0.00 0.00 0.00 175.76 176.21 1f92 s ASP 185 N -2.80 7.35 0.63 0.00 2.15 -1.25 -1.31 116.67 121.44 1f92 s ASP 185 Ca 0.05 1.71 0.34 0.00 0.43 0.00 0.00 52.55 55.08 1f92 s ASP 185 Cb -0.03 -2.57 1.89 0.00 -0.30 0.00 0.00 42.92 41.91 1f92 s ASP 185 CO -0.05 -0.26 2.15 1.55 -0.17 0.00 0.00 175.17 178.39 1f92 h PRO 185 N 6.68 0.00 -0.02 4.34 0.13 -1.93 -0.26 132.00 140.93 1f92 h PRO 185 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1f92 h PRO 185 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1f92 h PRO 185 CO 0.75 0.00 -0.13 1.04 -0.23 0.00 0.00 178.00 179.44 1f92 n GLN 185 N -3.40 1.86 -2.45 0.86 6.02 -1.26 -4.98 117.38 114.03 1f92 n GLN 185 Ca -0.01 -1.57 -0.21 0.00 -0.01 0.00 0.00 57.00 55.20 1f92 n GLN 185 Cb 0.25 -1.42 -0.01 0.00 1.02 0.00 0.00 30.24 30.08 1f92 n GLN 185 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1f92 n TRP 186 N 0.88 -1.07 -0.05 1.08 7.02 -0.11 -4.90 117.44 120.29 1f92 n TRP 186 Ca 0.12 0.04 -0.13 0.00 -1.02 0.00 0.00 57.50 56.51 1f92 n TRP 186 Cb 0.52 -4.02 -0.14 0.00 -2.42 0.00 0.00 31.31 25.25 1f92 n TRP 186 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1f92 n LYS 187 N -3.09 0.67 -4.47 -0.99 4.76 -1.26 -4.66 118.16 109.12 1f92 n LYS 187 Ca -0.24 0.20 -0.29 0.00 -2.87 0.00 0.00 58.31 55.12 1f92 n LYS 187 Cb 0.68 -1.68 -0.13 0.00 -1.84 0.00 0.00 35.03 32.06 1f92 n LYS 187 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1f92 s THR 188 N -2.56 2.20 -0.12 -0.18 -1.32 -1.26 -4.40 115.64 108.00 1f92 s THR 188 Ca -0.13 -1.68 -0.33 0.00 -1.21 0.00 0.00 61.69 58.34 1f92 s THR 188 Cb 0.07 -1.94 0.13 0.00 -1.51 0.00 0.00 72.50 69.26 1f92 s THR 188 CO 0.79 0.13 1.24 -0.62 -2.21 0.00 0.00 174.62 173.95 1f92 s ASP 189 N -1.90 -0.10 0.65 8.08 2.15 -1.04 -3.80 116.67 120.70 1f92 s ASP 189 Ca 0.13 -0.06 -0.10 0.00 0.43 0.00 0.00 52.55 52.96 1f92 s ASP 189 Cb -0.10 0.15 -0.00 0.00 -0.30 0.00 0.00 42.92 42.67 1f92 s ASP 189 CO 0.05 -0.26 1.02 -0.94 -0.17 0.00 0.00 175.17 174.87 1f92 s SER 190 N -2.51 5.68 0.01 -0.34 1.04 -1.26 0.05 113.70 116.37 1f92 s SER 190 Ca 0.11 1.07 -0.00 0.00 0.48 0.00 0.00 55.95 57.61 1f92 s SER 190 Cb 0.01 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1f92 s SER 190 CO -0.04 -1.13 0.01 0.00 0.98 0.00 0.00 173.24 173.06 1f92 n GLN 192 N -0.02 2.24 0.00 0.00 7.27 -1.26 -1.71 117.38 123.90 1f92 n GLN 192 Ca 0.00 0.82 0.00 0.00 0.07 0.00 0.00 57.00 57.89 1f92 n GLN 192 Cb 0.02 -2.64 0.00 0.00 2.41 0.00 0.00 30.24 30.03 1f92 n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1f92 n GLY 193 N 4.00 1.31 0.00 1.69 0.00 -1.26 -1.63 105.19 109.30 1f92 n GLY 193 Ca 0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 1f92 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f92 n ASP 194 N 0.00 0.02 -4.51 1.61 8.00 -0.70 -4.19 116.55 116.78 1f92 n ASP 194 Ca 0.00 0.30 -0.42 0.00 0.71 0.00 0.00 54.79 55.38 1f92 n ASP 194 Cb 0.00 -0.42 0.01 0.00 -0.02 0.00 0.00 41.12 40.69 1f92 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1f92 n SER 195 N -1.43 -0.03 0.00 -2.24 7.64 -1.26 -1.32 113.62 114.98 1f92 n SER 195 Ca 0.09 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1f92 n SER 195 Cb 0.31 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1f92 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f92 n GLY 196 N 1.56 2.36 3.91 0.23 0.00 0.65 -0.83 105.19 113.07 1f92 n GLY 196 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1f92 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f92 s GLY 197 N -2.00 1.64 0.35 -0.02 0.00 -0.43 -2.97 107.32 103.88 1f92 s GLY 197 Ca 0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 44.72 43.78 1f92 s GLY 197 CO 0.00 -0.31 0.88 2.56 0.00 0.00 0.00 173.10 176.23 1f92 s PRO 198 N -5.35 4.32 -0.41 2.90 0.04 -1.26 -0.66 135.00 134.58 1f92 s PRO 198 Ca 0.60 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.76 1f92 s PRO 198 Cb -0.11 -2.53 0.11 0.00 0.04 0.00 0.00 34.50 32.02 1f92 s PRO 198 CO 0.47 0.17 0.15 -1.17 0.04 0.00 0.00 177.00 176.65 1f92 s LEU 199 N -2.59 4.26 -0.09 -3.56 2.96 -0.31 -3.38 118.68 115.97 1f92 s LEU 199 Ca 0.54 -2.48 -0.14 0.00 -0.22 0.00 0.00 54.13 51.83 1f92 s LEU 199 Cb -0.14 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1f92 s LEU 199 CO 0.18 -0.32 0.36 -0.69 -1.32 0.00 0.00 176.35 174.57 1f92 s VAL 200 N 0.46 5.19 -0.00 1.68 1.01 0.12 -1.80 120.40 127.06 1f92 s VAL 200 Ca 0.14 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.88 1f92 s VAL 200 Cb -0.22 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1f92 s VAL 200 CO -0.06 0.47 -0.16 0.00 0.00 0.00 0.00 175.10 175.35 1f92 s SER 202 N -0.49 6.22 -0.40 0.00 0.15 -1.26 -0.77 113.70 117.14 1f92 s SER 202 Ca 0.06 -0.86 -0.14 0.00 0.70 0.00 0.00 55.95 55.71 1f92 s SER 202 Cb -0.06 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.70 1f92 s SER 202 CO -0.00 -1.76 0.28 -0.22 1.20 0.00 0.00 173.24 172.74 1f92 s LEU 203 N 5.78 5.03 -1.37 3.45 0.20 -0.02 -4.54 118.68 127.21 1f92 s LEU 203 Ca 0.43 -0.90 -0.07 0.00 0.69 0.00 0.00 54.13 54.28 1f92 s LEU 203 Cb -0.05 -2.14 0.03 0.00 -0.43 0.00 0.00 46.19 43.60 1f92 s LEU 203 CO 0.04 -0.43 0.97 0.00 -0.29 0.00 0.00 176.35 176.63 1f92 n GLN 204 N 5.13 -6.24 -1.92 1.98 6.02 -1.26 -2.33 117.38 118.76 1f92 n GLN 204 Ca -0.11 0.71 -0.10 0.00 -0.01 0.00 0.00 57.00 57.49 1f92 n GLN 204 Cb 0.47 -5.59 -0.01 0.00 1.02 0.00 0.00 30.24 26.13 1f92 n GLN 204 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f92 n GLY 205 N -1.65 0.30 2.93 1.08 0.00 -1.26 -5.03 105.19 101.57 1f92 n GLY 205 Ca -0.11 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1f92 n GLY 205 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f92 s ARG 206 N -4.00 0.10 -0.02 1.61 3.52 -0.98 -5.12 118.95 114.06 1f92 s ARG 206 Ca 0.00 0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 55.70 1f92 s ARG 206 Cb 0.00 -0.18 -0.06 0.00 -1.56 0.00 0.00 34.95 33.15 1f92 s ARG 206 CO 0.00 -0.17 1.55 -1.64 -0.81 0.00 0.00 175.30 174.22 1f92 s MET 207 N 1.25 4.22 0.07 5.12 -1.94 -1.26 -0.84 119.30 125.92 1f92 s MET 207 Ca -0.08 2.11 0.08 0.00 -1.71 0.00 0.00 55.69 56.08 1f92 s MET 207 Cb -0.11 -3.76 -0.03 0.00 2.01 0.00 0.00 34.83 32.93 1f92 s MET 207 CO -0.06 -0.73 -0.20 0.99 -0.01 0.00 0.00 175.02 175.00 1f92 s THR 208 N 3.21 1.65 -1.12 2.05 2.01 0.05 -3.61 115.64 119.87 1f92 s THR 208 Ca 0.69 -1.35 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 1f92 s THR 208 Cb -0.33 -1.47 0.13 0.00 0.01 0.00 0.00 72.50 70.85 1f92 s THR 208 CO 0.28 0.06 1.39 -0.22 -0.69 0.00 0.00 174.62 175.44 1f92 s LEU 209 N -1.53 4.74 0.18 4.42 1.98 -0.05 -1.49 118.68 126.94 1f92 s LEU 209 Ca 0.06 -2.51 -0.03 0.00 -2.89 0.00 0.00 54.13 48.76 1f92 s LEU 209 Cb -0.09 -2.44 0.09 0.00 0.66 0.00 0.00 46.19 44.40 1f92 s LEU 209 CO 0.03 -0.97 1.48 0.74 -1.89 0.00 0.00 176.35 175.74 1f92 h THR 210 N 5.32 1.33 -3.50 3.68 2.02 -1.67 -3.41 112.91 116.68 1f92 h THR 210 Ca 0.28 -1.86 -0.05 0.00 0.77 0.00 0.00 66.41 65.55 1f92 h THR 210 Cb 0.93 1.83 -0.07 0.00 -1.74 0.00 0.00 68.15 69.10 1f92 h THR 210 CO 1.25 0.58 -0.01 -0.83 0.37 0.00 0.00 175.52 176.88 1f92 s GLY 211 N -4.16 0.50 -0.11 2.16 0.00 -0.94 -2.39 107.32 102.38 1f92 s GLY 211 Ca -0.07 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.84 1f92 s GLY 211 CO 0.84 -0.52 -0.17 -0.42 0.00 0.00 0.00 173.10 172.83 1f92 s ILE 212 N -3.68 1.62 -0.22 0.90 1.01 -1.08 -1.16 121.20 118.58 1f92 s ILE 212 Ca 0.20 -0.73 -0.32 0.00 0.00 0.00 0.00 60.65 59.81 1f92 s ILE 212 Cb -0.02 -1.46 -0.09 0.00 0.01 0.00 0.00 42.46 40.90 1f92 s ILE 212 CO 0.10 0.46 2.12 0.52 0.00 0.00 0.00 174.94 178.15 1f92 n VAL 213 N 4.04 0.37 -0.01 2.92 0.31 0.16 -1.35 118.33 124.78 1f92 n VAL 213 Ca -0.20 -0.30 -0.01 0.00 -0.01 0.00 0.00 64.34 63.82 1f92 n VAL 213 Cb 0.52 -2.09 -0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1f92 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1f92 n SER 214 N 9.75 0.48 -3.39 4.52 2.88 -0.89 -0.25 113.62 126.72 1f92 n SER 214 Ca 0.32 0.07 -0.13 0.00 -1.33 0.00 0.00 58.87 57.80 1f92 n SER 214 Cb 0.34 -0.34 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1f92 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1f92 s TRP 215 N -1.46 0.86 0.00 0.66 1.48 -0.96 -4.90 118.94 114.62 1f92 s TRP 215 Ca -0.05 -1.15 0.00 0.00 -1.06 0.00 0.00 56.10 53.84 1f92 s TRP 215 Cb 0.01 0.03 0.00 0.00 -1.16 0.00 0.00 33.47 32.34 1f92 s TRP 215 CO 0.07 -1.13 0.00 0.41 -4.06 0.00 0.00 176.95 172.24 1f92 n GLY 216 N -0.52 2.15 3.61 3.67 0.00 -1.26 0.19 105.19 113.04 1f92 n GLY 216 Ca -0.00 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1f92 n GLY 216 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f92 s ARG 217 N -1.70 3.77 3.72 1.61 6.06 -1.26 -4.83 118.95 126.31 1f92 s ARG 217 Ca 0.00 0.95 0.00 0.00 -2.50 0.00 0.00 55.73 54.18 1f92 s ARG 217 Cb 0.00 -3.92 0.00 0.00 0.06 0.00 0.00 34.95 31.09 1f92 s ARG 217 CO 0.00 -1.31 0.00 0.41 -2.50 0.00 0.00 175.30 171.90 1f92 n GLY 219 N 4.66 0.74 2.78 8.12 0.00 -1.26 -4.54 105.19 115.69 1f92 n GLY 219 Ca 0.14 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 1f92 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f92 n ALA 221 N 5.32 -0.48 -1.85 0.00 0.00 -1.26 -4.90 120.51 117.34 1f92 n ALA 221 Ca -0.05 0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.16 1f92 n ALA 221 Cb 0.50 -1.89 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 1f92 n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1f92 s LEU 222 N -4.41 4.31 0.23 0.00 1.43 -1.26 -4.69 118.68 114.29 1f92 s LEU 222 Ca 0.03 1.74 -0.32 0.00 -1.03 0.00 0.00 54.13 54.55 1f92 s LEU 222 Cb -0.01 -3.96 -0.12 0.00 0.03 0.00 0.00 46.19 42.12 1f92 s LEU 222 CO 0.04 -0.07 1.70 -0.75 0.23 0.00 0.00 176.35 177.50 1f92 s LYS 223 N -2.12 4.12 -0.98 1.70 2.20 -1.26 -2.01 119.74 121.38 1f92 s LYS 223 Ca 0.50 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.72 1f92 s LYS 223 Cb -0.17 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1f92 s LYS 223 CO 0.22 -0.74 0.00 -0.25 -0.36 0.00 0.00 175.35 174.23 1f92 n ASP 223 N 3.60 -4.67 -3.33 1.43 8.00 -1.26 -4.93 116.55 115.38 1f92 n ASP 223 Ca 0.14 0.23 -0.26 0.00 0.71 0.00 0.00 54.79 55.61 1f92 n ASP 223 Cb 0.35 -2.98 -0.07 0.00 -0.02 0.00 0.00 41.12 38.40 1f92 n ASP 223 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1f92 n LYS 224 N -1.99 2.32 -0.74 -1.24 4.76 -0.85 -4.28 118.16 116.14 1f92 n LYS 224 Ca -0.09 -4.46 -0.32 0.00 -2.87 0.00 0.00 58.31 50.57 1f92 n LYS 224 Cb 0.40 -2.09 0.15 0.00 -1.84 0.00 0.00 35.03 31.64 1f92 n LYS 224 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1f92 n PRO 225 N 0.80 -0.38 -2.77 1.97 -0.02 -1.26 -4.52 135.00 128.82 1f92 n PRO 225 Ca 0.29 -0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 1f92 n PRO 225 Cb 0.43 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 1f92 n PRO 225 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1f92 s GLY 226 N -2.34 2.97 -0.16 -1.23 0.00 -0.56 -4.55 107.32 101.45 1f92 s GLY 226 Ca 0.62 0.53 -0.09 0.00 0.00 0.00 0.00 44.72 45.78 1f92 s GLY 226 CO 0.62 1.38 0.14 0.14 0.00 0.00 0.00 173.10 175.39 1f92 s VAL 227 N -0.06 5.45 0.11 1.40 1.01 0.13 -1.96 120.40 126.47 1f92 s VAL 227 Ca 0.45 0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.75 1f92 s VAL 227 Cb -0.23 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1f92 s VAL 227 CO 0.29 0.52 -0.24 -0.31 0.00 0.00 0.00 175.10 175.36 1f92 s TYR 228 N -0.28 2.05 -0.10 5.22 1.51 0.16 -2.10 117.35 123.81 1f92 s TYR 228 Ca 0.12 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.48 1f92 s TYR 228 Cb -0.12 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1f92 s TYR 228 CO 0.01 0.25 1.25 0.99 -1.11 0.00 0.00 175.55 176.94 1f92 s THR 229 N -1.06 4.21 -0.92 -0.71 2.01 -0.46 -0.54 115.64 118.17 1f92 s THR 229 Ca 0.10 1.51 -0.24 0.00 0.31 0.00 0.00 61.69 63.37 1f92 s THR 229 Cb -0.10 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 1f92 s THR 229 CO 0.05 -0.06 1.78 -0.60 -0.69 0.00 0.00 174.62 175.10 1f92 s ARG 230 N 2.81 2.87 0.54 4.92 3.52 -0.88 -2.64 118.95 130.09 1f92 s ARG 230 Ca 0.56 -0.48 0.33 0.00 -0.13 0.00 0.00 55.73 56.02 1f92 s ARG 230 Cb -0.24 -5.09 1.50 0.00 -1.56 0.00 0.00 34.95 29.56 1f92 s ARG 230 CO 0.19 -2.98 1.85 0.28 -0.81 0.00 0.00 175.30 173.84 1f92 h VAL 231 N 7.08 0.49 0.00 7.11 2.07 -1.76 -0.61 116.25 130.62 1f92 h VAL 231 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1f92 h VAL 231 Cb 1.02 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1f92 h VAL 231 CO 1.27 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.32 1f92 n SER 232 N -4.19 0.41 -0.86 0.57 3.41 -1.26 -2.12 113.62 109.58 1f92 n SER 232 Ca 0.20 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.51 1f92 n SER 232 Cb 1.05 -0.69 0.13 0.00 -0.26 0.00 0.00 64.21 64.45 1f92 n SER 232 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1f92 n HIS 233 N -1.95 0.24 -0.12 7.33 8.25 -0.24 -3.21 115.22 125.52 1f92 n HIS 233 Ca 0.03 -0.15 0.03 0.00 -0.26 0.00 0.00 57.72 57.37 1f92 n HIS 233 Cb 0.21 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.39 1f92 n HIS 233 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1f92 n PHE 234 N 1.12 0.21 -0.17 4.41 3.01 -0.90 -4.76 117.46 120.37 1f92 n PHE 234 Ca 0.14 -0.52 -0.01 0.00 1.01 0.00 0.00 57.45 58.07 1f92 n PHE 234 Cb 0.50 -0.05 0.08 0.00 -0.01 0.00 0.00 39.48 40.00 1f92 n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1f92 h LEU 235 N 0.86 -0.06 -0.08 4.37 3.38 -1.76 0.29 115.31 122.31 1f92 h LEU 235 Ca 0.00 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1f92 h LEU 235 Cb 0.62 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1f92 h LEU 235 CO 0.00 -0.01 -0.01 -0.65 0.09 0.00 0.00 178.44 177.87 1f92 h PRO 236 N 0.21 0.02 -0.66 1.13 0.11 -1.93 0.38 132.00 131.26 1f92 h PRO 236 Ca 0.28 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.42 1f92 h PRO 236 Cb 0.40 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 1f92 h PRO 236 CO -0.38 0.01 0.41 2.35 -0.21 0.00 0.00 178.00 180.18 1f92 h TRP 237 N 0.02 0.76 -0.58 0.65 7.01 -1.76 0.31 115.95 122.37 1f92 h TRP 237 Ca 0.04 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 1f92 h TRP 237 Cb 0.05 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.84 1f92 h TRP 237 CO -0.13 0.43 0.29 0.82 -2.79 0.00 0.00 178.44 177.06 1f92 h ILE 238 N 0.79 1.20 -0.20 2.65 2.04 0.33 -2.50 117.51 121.83 1f92 h ILE 238 Ca 0.27 -0.56 -0.12 0.00 1.00 0.00 0.00 64.86 65.45 1f92 h ILE 238 Cb 0.04 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1f92 h ILE 238 CO -0.11 0.23 -0.35 0.03 0.00 0.00 0.00 178.15 177.95 1f92 h ARG 239 N 0.79 0.59 -0.26 2.37 3.08 0.32 -2.71 114.38 118.55 1f92 h ARG 239 Ca 0.20 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 1f92 h ARG 239 Cb 0.10 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1f92 h ARG 239 CO -0.03 0.98 -0.01 0.66 -1.07 0.00 0.00 179.97 180.50 1f92 h SER 240 N 0.26 0.37 0.68 7.04 4.64 -0.91 -2.50 113.55 123.13 1f92 h SER 240 Ca 0.01 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1f92 h SER 240 Cb 0.94 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1f92 h SER 240 CO 0.08 0.44 -0.39 1.41 -0.87 0.00 0.00 176.83 177.49 1f92 n HIS 241 N -4.32 0.09 0.01 4.77 8.25 -0.95 -3.92 115.22 119.16 1f92 n HIS 241 Ca 0.01 0.03 0.11 0.00 -0.26 0.00 0.00 57.72 57.60 1f92 n HIS 241 Cb 0.22 -0.37 -0.14 0.00 1.12 0.00 0.00 29.99 30.81 1f92 n HIS 241 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1f92 n THR 242 N -1.60 0.11 0.02 1.59 -2.24 -1.02 -4.64 114.28 106.50 1f92 n THR 242 Ca 0.06 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.32 1f92 n THR 242 Cb 0.35 -0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1f92 n THR 242 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1f92 h LYS 243 N 0.00 -0.05 0.00 -0.78 1.57 -1.58 -3.51 116.57 112.22 1f92 h LYS 243 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1f92 h LYS 243 Cb 1.01 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1f92 h LYS 243 CO 0.00 -0.04 0.00 -1.91 -0.57 0.00 0.00 179.45 176.93