#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrs s ILE 2 N 0.00 3.43 0.88 2.46 2.07 -1.26 -4.86 121.20 123.91 2qrs s ILE 2 Ca 0.00 0.97 -0.11 0.00 -1.41 0.00 0.00 60.65 60.10 2qrs s ILE 2 Cb 0.00 -3.44 0.12 0.00 0.13 0.00 0.00 42.46 39.27 2qrs s ILE 2 CO 0.00 -0.12 1.09 -0.51 -1.91 0.00 0.00 174.94 173.50 2qrs s ILE 3 N -1.76 2.75 -0.26 2.00 2.07 -1.26 -4.98 121.20 119.76 2qrs s ILE 3 Ca 0.66 0.24 -0.19 0.00 -1.41 0.00 0.00 60.65 59.96 2qrs s ILE 3 Cb -0.22 -2.70 -0.02 0.00 0.13 0.00 0.00 42.46 39.64 2qrs s ILE 3 CO 0.27 -0.32 0.57 0.54 -1.91 0.00 0.00 174.94 174.09 2qrs s ASN 4 N -3.36 6.50 0.51 4.50 4.22 -1.26 -5.04 114.94 121.01 2qrs s ASN 4 Ca 0.63 0.59 -0.19 0.00 -2.14 0.00 0.00 52.86 51.76 2qrs s ASN 4 Cb -0.18 -2.31 -0.07 0.00 1.28 0.00 0.00 41.25 39.97 2qrs s ASN 4 CO 0.57 -0.33 1.05 -0.36 -2.04 0.00 0.00 177.10 175.98 2qrs s PHE 5 N 2.41 2.99 -0.14 1.54 0.08 -1.26 -5.05 117.98 118.55 2qrs s PHE 5 Ca 0.23 1.56 -0.04 0.00 0.12 0.00 0.00 56.93 58.80 2qrs s PHE 5 Cb -0.16 -3.06 -0.03 0.00 -0.57 0.00 0.00 43.02 39.20 2qrs s PHE 5 CO 0.09 -0.93 0.01 -2.00 -0.10 0.00 0.00 175.22 172.29 2qrs s GLU 6 N -3.45 3.52 0.33 0.44 2.56 -1.26 -4.97 118.70 115.86 2qrs s GLU 6 Ca 0.67 -0.42 -0.28 0.00 0.00 0.00 0.00 54.97 54.94 2qrs s GLU 6 Cb -0.16 -2.97 -0.13 0.00 2.00 0.00 0.00 34.13 32.87 2qrs s GLU 6 CO 0.24 0.43 1.12 1.63 -0.56 0.00 0.00 175.26 178.13 2qrs n LYS 7 N 3.00 1.67 0.21 4.30 5.02 -1.26 -4.88 118.16 126.22 2qrs n LYS 7 Ca -0.18 0.59 0.08 0.00 -2.02 0.00 0.00 58.31 56.78 2qrs n LYS 7 Cb 0.53 -2.06 0.44 0.00 -0.02 0.00 0.00 35.03 33.91 2qrs n LYS 7 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qrs h LEU 8 N 2.16 0.00 -1.85 -0.35 3.38 -1.95 -3.47 115.31 113.23 2qrs h LEU 8 Ca -0.43 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.29 2qrs h LEU 8 Cb 1.32 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 2qrs h LEU 8 CO 0.61 0.29 -0.38 0.61 0.09 0.00 0.00 178.44 179.66 2qrs n GLY 9 N -0.02 -0.07 0.00 0.83 0.00 -1.26 -4.38 105.19 100.29 2qrs n GLY 9 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2qrs n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrs n GLY 10 N -1.45 -0.64 0.00 -0.02 0.00 -1.26 -4.80 105.19 97.01 2qrs n GLY 10 Ca -0.10 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2qrs n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrs n GLY 11 N 4.83 0.28 3.64 -0.02 0.00 -1.26 -4.95 105.19 107.70 2qrs n GLY 11 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2qrs n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrs s ALA 12 N 0.00 -2.18 0.00 4.61 0.00 -1.26 -4.30 121.76 118.63 2qrs s ALA 12 Ca 0.00 2.12 0.00 0.00 0.00 0.00 0.00 51.96 54.08 2qrs s ALA 12 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2qrs s ALA 12 CO 0.00 -0.32 0.00 0.45 0.00 0.00 0.00 175.76 175.89 2qrs n SER 13 N 3.32 0.00 0.00 0.00 2.88 0.68 -3.73 113.62 116.78 2qrs n SER 13 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2qrs n SER 13 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2qrs n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qrs n GLY 14 N 3.56 -0.95 3.10 0.46 0.00 -1.26 -4.63 105.19 105.46 2qrs n GLY 14 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2qrs n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrs n GLY 15 N 0.00 -0.49 0.32 -0.02 0.00 -1.26 -4.85 105.19 98.90 2qrs n GLY 15 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 2qrs n GLY 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qrs h GLY 16 N -0.69 1.16 -3.17 -0.02 0.00 -1.99 -3.48 103.07 94.88 2qrs h GLY 16 Ca -0.38 -0.70 -0.05 0.00 0.00 0.00 0.00 47.33 46.19 2qrs h GLY 16 CO 0.46 0.66 -0.16 0.61 0.00 0.00 0.00 176.54 178.11 2qrs n GLY 17 N -0.74 0.42 0.03 4.60 0.00 -1.26 -5.04 105.19 103.20 2qrs n GLY 17 Ca 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2qrs n GLY 17 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2qrs h SER 18 N -0.27 0.00 0.00 1.61 0.87 -1.93 -3.49 113.55 110.34 2qrs h SER 18 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2qrs h SER 18 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2qrs h SER 18 CO 0.09 0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 2qrs n GLY 19 N 1.72 -1.80 0.00 5.77 0.00 -1.26 -5.06 105.19 104.56 2qrs n GLY 19 Ca -0.02 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2qrs n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrs n GLY 20 N 0.00 1.00 0.00 -0.02 0.00 -1.24 -3.79 105.19 101.14 2qrs n GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qrs n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrs n GLY 21 N 0.00 1.09 0.00 -0.02 0.00 -1.23 -3.67 105.19 101.36 2qrs n GLY 21 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2qrs n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrs n GLY 22 N -0.42 0.06 3.70 -0.02 0.00 -1.26 -4.92 105.19 102.33 2qrs n GLY 22 Ca 0.00 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 2qrs n GLY 22 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qrs s SER 23 N -1.20 7.27 -0.45 1.61 0.15 -1.26 -4.59 113.70 115.22 2qrs s SER 23 Ca 0.00 1.68 0.07 0.00 0.70 0.00 0.00 55.95 58.40 2qrs s SER 23 Cb 0.00 -2.57 0.27 0.00 -1.71 0.00 0.00 66.02 62.02 2qrs s SER 23 CO 0.00 -0.37 0.85 -0.38 1.20 0.00 0.00 173.24 174.54 2qrs n ILE 1 N 4.17 -0.16 -1.48 6.45 5.41 -1.26 -5.15 119.36 127.33 2qrs n ILE 1 Ca 0.08 -2.32 -0.41 0.00 1.00 0.00 0.00 62.75 61.10 2qrs n ILE 1 Cb 0.49 0.62 0.01 0.00 -0.71 0.00 0.00 39.64 40.06 2qrs n ILE 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qrs n GLN 2 N 1.16 0.69 -4.72 0.38 6.02 -1.26 -4.98 117.38 114.67 2qrs n GLN 2 Ca 0.12 0.25 -0.33 0.00 -0.01 0.00 0.00 57.00 57.04 2qrs n GLN 2 Cb 0.63 -1.63 -0.15 0.00 1.02 0.00 0.00 30.24 30.11 2qrs n GLN 2 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2qrs s LYS 3 N -1.74 3.26 0.09 -1.09 -0.14 0.00 -4.95 119.74 115.17 2qrs s LYS 3 Ca 0.64 -0.74 -0.30 0.00 -1.36 0.00 0.00 55.97 54.21 2qrs s LYS 3 Cb -0.57 -2.58 -0.06 0.00 -1.68 0.00 0.00 37.83 32.93 2qrs s LYS 3 CO 0.57 0.12 1.18 0.99 -0.76 0.00 0.00 175.35 177.45 2qrs s THR 4 N 0.57 3.98 0.53 2.17 2.01 -1.26 -2.04 115.64 121.59 2qrs s THR 4 Ca -0.09 1.48 -0.21 0.00 0.31 0.00 0.00 61.69 63.17 2qrs s THR 4 Cb -0.16 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 2qrs s THR 4 CO 0.04 0.15 1.24 -2.16 -0.69 0.00 0.00 174.62 173.19 2qrs s PRO 5 N 0.73 3.33 -0.03 4.92 0.04 -1.26 -4.47 135.00 138.26 2qrs s PRO 5 Ca 0.57 1.93 -0.00 0.00 0.04 0.00 0.00 61.00 63.54 2qrs s PRO 5 Cb -0.30 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 2qrs s PRO 5 CO 0.31 -0.94 0.02 -0.65 0.04 0.00 0.00 177.00 175.77 2qrs s GLN 6 N -2.95 2.92 -0.02 4.56 -0.21 0.07 -4.95 119.66 119.08 2qrs s GLN 6 Ca 0.70 -0.51 0.03 0.00 0.02 0.00 0.00 55.36 55.59 2qrs s GLN 6 Cb -0.33 -2.76 -0.00 0.00 1.00 0.00 0.00 33.01 30.93 2qrs s GLN 6 CO 0.38 0.66 -0.09 0.42 -2.12 0.00 0.00 175.29 174.54 2qrs s ILE 7 N -1.05 0.74 -0.03 1.08 1.01 -1.26 -1.48 121.20 120.21 2qrs s ILE 7 Ca 0.18 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.50 2qrs s ILE 7 Cb -0.12 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.71 2qrs s ILE 7 CO 0.09 0.23 -0.12 -1.10 0.00 0.00 0.00 174.94 174.03 2qrs s GLN 8 N 0.04 1.27 -0.14 2.79 -0.21 -0.60 -4.98 119.66 117.82 2qrs s GLN 8 Ca -0.01 -0.41 0.02 0.00 0.02 0.00 0.00 55.36 54.99 2qrs s GLN 8 Cb -0.07 -1.14 0.01 0.00 1.00 0.00 0.00 33.01 32.81 2qrs s GLN 8 CO 0.00 0.15 -0.22 0.08 -2.12 0.00 0.00 175.29 173.18 2qrs s VAL 9 N 0.17 2.09 0.03 1.09 1.01 -1.26 -0.96 120.40 122.58 2qrs s VAL 9 Ca -0.04 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.70 2qrs s VAL 9 Cb -0.10 -1.83 0.09 0.00 0.00 0.00 0.00 36.38 34.53 2qrs s VAL 9 CO 0.01 0.55 0.76 -0.72 0.00 0.00 0.00 175.10 175.70 2qrs s TYR 10 N 0.80 -0.47 0.33 5.22 1.13 -0.80 -4.59 117.35 118.96 2qrs s TYR 10 Ca -0.07 0.45 -0.15 0.00 -1.41 0.00 0.00 57.07 55.89 2qrs s TYR 10 Cb -0.16 0.52 -0.09 0.00 -1.10 0.00 0.00 41.96 41.13 2qrs s TYR 10 CO -0.02 -0.65 0.74 -1.54 -2.51 0.00 0.00 175.55 171.58 2qrs s SER 11 N -2.22 6.77 0.11 -0.18 1.04 -1.26 -0.17 113.70 117.79 2qrs s SER 11 Ca 0.00 1.28 -0.15 0.00 0.48 0.00 0.00 55.95 57.56 2qrs s SER 11 Cb -0.01 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 2qrs s SER 11 CO -0.06 -0.21 1.54 -0.09 0.98 0.00 0.00 173.24 175.39 2qrs h ARG 12 N 2.23 0.66 -6.11 4.02 2.43 -0.87 -3.45 114.38 113.30 2qrs h ARG 12 Ca -0.48 -0.23 -0.56 0.00 -0.81 0.00 0.00 59.98 57.90 2qrs h ARG 12 Cb 1.17 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.58 2qrs h ARG 12 CO 0.65 0.80 -0.60 -1.01 -1.51 0.00 0.00 179.97 178.31 2qrs s HIS 13 N -4.89 2.65 0.16 2.20 3.76 -1.26 -4.99 115.29 112.93 2qrs s HIS 13 Ca -0.13 -0.35 -0.33 0.00 -0.15 0.00 0.00 55.06 54.10 2qrs s HIS 13 Cb 0.09 -1.45 -0.13 0.00 1.11 0.00 0.00 32.58 32.21 2qrs s HIS 13 CO 0.79 0.47 1.68 -2.30 -0.85 0.00 0.00 174.74 174.53 2qrs n PRO 14 N -1.01 2.48 -2.18 8.40 -0.02 -1.26 -4.88 135.00 136.53 2qrs n PRO 14 Ca -0.04 0.90 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 2qrs n PRO 14 Cb 0.61 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 2qrs n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2qrs s PRO 15 N 1.38 4.22 -0.11 0.52 0.04 -1.26 -5.00 135.00 134.78 2qrs s PRO 15 Ca 0.78 1.98 -0.00 0.00 0.04 0.00 0.00 61.00 63.81 2qrs s PRO 15 Cb -0.59 -3.81 0.02 0.00 0.04 0.00 0.00 34.50 30.16 2qrs s PRO 15 CO 0.36 -0.74 -0.09 -1.21 0.04 0.00 0.00 177.00 175.37 2qrs s GLU 16 N 3.45 1.63 0.18 4.56 2.02 -1.26 -5.10 118.70 124.18 2qrs s GLU 16 Ca 0.66 -0.30 -0.33 0.00 0.02 0.00 0.00 54.97 55.01 2qrs s GLU 16 Cb -0.30 -1.63 -0.14 0.00 0.10 0.00 0.00 34.13 32.16 2qrs s GLU 16 CO 0.24 -0.24 1.54 0.09 0.02 0.00 0.00 175.26 176.92 2qrs n ASN 17 N 4.82 3.00 0.00 -0.19 3.02 -1.26 -1.63 115.26 123.02 2qrs n ASN 17 Ca -0.14 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 2qrs n ASN 17 Cb 0.50 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 2qrs n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrs n GLY 18 N 3.12 1.00 3.39 7.41 0.00 -0.38 -5.00 105.19 114.73 2qrs n GLY 18 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2qrs n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qrs s LYS 19 N -0.37 3.49 0.45 1.61 1.02 -0.64 -5.01 119.74 120.28 2qrs s LYS 19 Ca 0.00 -0.60 -0.24 0.00 0.02 0.00 0.00 55.97 55.16 2qrs s LYS 19 Cb 0.00 -2.90 -0.10 0.00 -0.52 0.00 0.00 37.83 34.31 2qrs s LYS 19 CO 0.00 0.05 1.06 -2.30 -0.92 0.00 0.00 175.35 173.24 2qrs n PRO 20 N 4.08 1.41 -0.77 -1.68 -0.02 -1.26 -4.30 135.00 132.46 2qrs n PRO 20 Ca -0.18 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2qrs n PRO 20 Cb 0.52 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2qrs n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2qrs n ASN 21 N 0.25 0.00 -3.86 2.55 2.85 0.16 -4.97 115.26 112.23 2qrs n ASN 21 Ca 0.09 -0.56 -0.18 0.00 -0.11 0.00 0.00 54.58 53.81 2qrs n ASN 21 Cb 0.40 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.26 2qrs n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2qrs s ILE 22 N -2.48 0.38 -0.16 -1.44 1.01 -1.26 -2.08 121.20 115.17 2qrs s ILE 22 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.56 2qrs s ILE 22 Cb 0.00 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 2qrs s ILE 22 CO 0.00 0.19 0.04 -0.22 0.00 0.00 0.00 174.94 174.95 2qrs s LEU 23 N 0.93 3.75 0.06 2.97 2.96 0.26 -0.24 118.68 129.37 2qrs s LEU 23 Ca -0.11 0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 2qrs s LEU 23 Cb -0.14 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2qrs s LEU 23 CO -0.01 0.23 -0.03 0.20 -1.32 0.00 0.00 176.35 175.42 2qrs s ASN 24 N 0.02 4.83 -0.28 3.68 0.01 0.76 -0.97 114.94 123.00 2qrs s ASN 24 Ca 0.05 -0.19 -0.01 0.00 -0.71 0.00 0.00 52.86 52.00 2qrs s ASN 24 Cb -0.12 -1.12 0.09 0.00 0.41 0.00 0.00 41.25 40.50 2qrs s ASN 24 CO 0.01 0.21 0.06 0.00 -1.51 0.00 0.00 177.10 175.87 2qrs s TYR 26 N 1.57 3.22 -0.17 0.00 5.04 -0.14 -0.98 117.35 125.89 2qrs s TYR 26 Ca 0.06 0.14 -0.01 0.00 -2.44 0.00 0.00 57.07 54.82 2qrs s TYR 26 Cb -0.18 -2.62 -0.00 0.00 0.35 0.00 0.00 41.96 39.51 2qrs s TYR 26 CO -0.18 -0.35 -0.13 0.08 -1.34 0.00 0.00 175.55 173.63 2qrs s VAL 27 N 2.03 2.78 0.37 3.14 1.01 -0.31 -1.56 120.40 127.86 2qrs s VAL 27 Ca 0.13 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2qrs s VAL 27 Cb -0.16 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2qrs s VAL 27 CO 0.11 0.50 0.15 0.42 0.00 0.00 0.00 175.10 176.28 2qrs s THR 28 N 1.00 0.48 -1.32 3.92 -4.23 -0.55 -0.71 115.64 114.22 2qrs s THR 28 Ca -0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2qrs s THR 28 Cb -0.15 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.26 2qrs s THR 28 CO -0.02 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.06 2qrs n GLN 29 N -0.78 -1.81 -4.06 3.99 1.13 -0.91 -0.75 117.38 114.19 2qrs n GLN 29 Ca -0.02 0.74 -0.23 0.00 -1.94 0.00 0.00 57.00 55.55 2qrs n GLN 29 Cb 0.65 -5.22 -0.04 0.00 0.11 0.00 0.00 30.24 25.73 2qrs n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2qrs s PHE 30 N -2.51 3.24 -0.28 1.08 -0.71 -1.17 -4.20 117.98 113.43 2qrs s PHE 30 Ca 0.00 -0.04 -0.18 0.00 -1.04 0.00 0.00 56.93 55.67 2qrs s PHE 30 Cb 0.00 -1.49 0.11 0.00 -1.21 0.00 0.00 43.02 40.42 2qrs s PHE 30 CO 0.00 0.50 0.84 -1.58 -1.34 0.00 0.00 175.22 173.65 2qrs s HIS 31 N -1.96 -0.78 1.10 3.49 2.46 -0.87 -1.21 115.29 117.52 2qrs s HIS 31 Ca 0.33 1.62 -0.12 0.00 0.47 0.00 0.00 55.06 57.35 2qrs s HIS 31 Cb -0.09 0.45 0.25 0.00 -0.13 0.00 0.00 32.58 33.06 2qrs s HIS 31 CO 0.26 -0.38 1.05 -1.25 -2.47 0.00 0.00 174.74 171.95 2qrs s PRO 32 N 1.20 -0.39 0.49 2.88 0.04 -1.26 -0.82 135.00 137.13 2qrs s PRO 32 Ca -0.07 0.80 0.27 0.00 0.04 0.00 0.00 61.00 62.04 2qrs s PRO 32 Cb -0.04 -1.62 1.17 0.00 0.04 0.00 0.00 34.50 34.05 2qrs s PRO 32 CO -0.14 -3.36 1.93 -1.00 0.04 0.00 0.00 177.00 174.47 2qrs h PRO 33 N -2.36 0.00 -6.57 0.56 0.13 -1.98 -3.44 132.00 118.34 2qrs h PRO 33 Ca -0.58 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.02 2qrs h PRO 33 Cb 1.33 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.50 2qrs h PRO 33 CO 0.52 0.16 0.92 -1.58 -0.23 0.00 0.00 178.00 177.79 2qrs s HIS 34 N -3.81 2.87 0.00 1.56 2.46 -1.26 -4.97 115.29 112.14 2qrs s HIS 34 Ca -0.00 0.51 -0.24 0.00 0.47 0.00 0.00 55.06 55.80 2qrs s HIS 34 Cb 0.11 -3.96 0.05 0.00 -0.13 0.00 0.00 32.58 28.65 2qrs s HIS 34 CO 0.60 -3.63 0.54 -1.50 -2.47 0.00 0.00 174.74 168.27 2qrs s ILE 35 N 1.54 0.02 -0.13 0.89 2.07 -1.26 -4.66 121.20 119.68 2qrs s ILE 35 Ca 0.72 -0.20 0.02 0.00 -1.41 0.00 0.00 60.65 59.77 2qrs s ILE 35 Cb -0.43 -0.91 0.01 0.00 0.13 0.00 0.00 42.46 41.26 2qrs s ILE 35 CO 0.32 -0.11 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.43 2qrs s GLU 36 N -1.78 2.71 -0.09 3.50 2.02 -0.59 -5.00 118.70 119.48 2qrs s GLU 36 Ca -0.09 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.19 2qrs s GLU 36 Cb -0.01 -2.24 0.01 0.00 0.10 0.00 0.00 34.13 31.98 2qrs s GLU 36 CO 0.04 -0.06 -0.17 0.42 0.02 0.00 0.00 175.26 175.51 2qrs s ILE 37 N 0.94 1.54 0.08 -1.63 1.01 -1.26 -0.78 121.20 121.11 2qrs s ILE 37 Ca -0.05 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 59.94 2qrs s ILE 37 Cb -0.15 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 2qrs s ILE 37 CO -0.03 0.45 -0.13 -1.10 0.00 0.00 0.00 174.94 174.12 2qrs s GLN 38 N 0.61 0.84 -0.02 2.79 -0.21 -0.30 -4.99 119.66 118.37 2qrs s GLN 38 Ca -0.15 -1.02 0.07 0.00 0.02 0.00 0.00 55.36 54.29 2qrs s GLN 38 Cb -0.16 -0.77 -0.02 0.00 1.00 0.00 0.00 33.01 33.06 2qrs s GLN 38 CO 0.05 0.16 -0.24 -1.64 -2.12 0.00 0.00 175.29 171.49 2qrs s MET 39 N -2.03 2.14 0.06 2.91 -1.94 -1.26 0.30 119.30 119.48 2qrs s MET 39 Ca 0.00 -0.91 0.09 0.00 -1.71 0.00 0.00 55.69 53.17 2qrs s MET 39 Cb -0.08 -2.08 -0.03 0.00 2.01 0.00 0.00 34.83 34.65 2qrs s MET 39 CO 0.02 0.57 -0.26 -0.51 -0.01 0.00 0.00 175.02 174.83 2qrs s LEU 40 N -0.67 2.20 -0.20 -0.03 1.43 0.88 -0.54 118.68 121.76 2qrs s LEU 40 Ca 0.10 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2qrs s LEU 40 Cb -0.10 -1.22 0.04 0.00 0.03 0.00 0.00 46.19 44.94 2qrs s LEU 40 CO -0.01 0.22 -0.15 -0.75 0.23 0.00 0.00 176.35 175.90 2qrs s LYS 41 N -1.41 2.49 -1.50 1.70 2.20 0.49 -1.31 119.74 122.39 2qrs s LYS 41 Ca 0.11 -0.95 -0.08 0.00 -0.36 0.00 0.00 55.97 54.69 2qrs s LYS 41 Cb -0.10 -2.58 0.06 0.00 -1.51 0.00 0.00 37.83 33.70 2qrs s LYS 41 CO 0.03 -0.37 0.69 0.09 -0.36 0.00 0.00 175.35 175.43 2qrs n ASN 42 N 4.60 -2.27 0.00 1.43 3.02 0.09 -0.87 115.26 121.26 2qrs n ASN 42 Ca -0.17 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 2qrs n ASN 42 Cb 0.47 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 2qrs n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrs n GLY 43 N -1.71 2.83 3.72 7.41 0.00 -1.26 -5.01 105.19 111.17 2qrs n GLY 43 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2qrs n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qrs s LYS 44 N -0.03 3.82 0.27 1.61 3.01 -0.04 -5.02 119.74 123.36 2qrs s LYS 44 Ca 0.00 -0.27 -0.30 0.00 -1.01 0.00 0.00 55.97 54.39 2qrs s LYS 44 Cb 0.00 -3.22 -0.13 0.00 -1.01 0.00 0.00 37.83 33.47 2qrs s LYS 44 CO 0.00 0.44 1.43 1.17 0.51 0.00 0.00 175.35 178.90 2qrs n LYS 45 N 3.04 2.21 -3.06 1.68 4.81 -1.26 -0.38 118.16 125.21 2qrs n LYS 45 Ca -0.17 0.79 -0.41 0.00 -0.87 0.00 0.00 58.31 57.65 2qrs n LYS 45 Cb 0.53 -2.46 -0.06 0.00 0.02 0.00 0.00 35.03 33.06 2qrs n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2qrs s ILE 46 N -0.24 4.96 0.21 3.15 1.01 0.30 -4.82 121.20 125.77 2qrs s ILE 46 Ca 0.65 1.27 -0.07 0.00 0.00 0.00 0.00 60.65 62.50 2qrs s ILE 46 Cb -0.60 -3.99 0.12 0.00 0.01 0.00 0.00 42.46 38.00 2qrs s ILE 46 CO 0.52 0.04 1.73 1.55 0.00 0.00 0.00 174.94 178.77 2qrs h PRO 47 N 7.67 1.06 -3.85 2.79 0.13 -1.92 -3.40 132.00 134.47 2qrs h PRO 47 Ca -0.28 -0.26 -0.77 0.00 -0.87 0.00 0.00 66.00 63.81 2qrs h PRO 47 Cb 1.13 -0.13 -0.27 0.00 0.13 0.00 0.00 31.00 31.85 2qrs h PRO 47 CO 0.80 0.96 -0.01 0.15 -0.23 0.00 0.00 178.00 179.66 2qrs s LYS 48 N -5.22 3.37 -0.19 0.86 1.02 -1.26 -5.00 119.74 113.32 2qrs s LYS 48 Ca -0.11 -2.35 0.01 0.00 0.02 0.00 0.00 55.97 53.53 2qrs s LYS 48 Cb 0.15 -4.32 0.04 0.00 -0.52 0.00 0.00 37.83 33.17 2qrs s LYS 48 CO 0.84 -1.28 -0.13 0.08 -0.92 0.00 0.00 175.35 173.94 2qrs s VAL 49 N 0.36 1.78 0.36 3.17 1.01 -1.26 -4.62 120.40 121.20 2qrs s VAL 49 Ca 0.15 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 2qrs s VAL 49 Cb -0.14 -1.76 -0.10 0.00 0.00 0.00 0.00 36.38 34.38 2qrs s VAL 49 CO -0.06 0.28 0.80 -1.61 0.00 0.00 0.00 175.10 174.51 2qrs s GLU 50 N 1.36 4.07 -0.08 2.72 2.02 -0.14 -4.89 118.70 123.76 2qrs s GLU 50 Ca 0.00 0.80 0.04 0.00 0.02 0.00 0.00 54.97 55.83 2qrs s GLU 50 Cb -0.15 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.73 2qrs s GLU 50 CO -0.09 0.09 -0.19 -1.64 0.02 0.00 0.00 175.26 173.45 2qrs s MET 51 N -3.07 2.32 0.85 1.61 -1.94 -1.26 -1.31 119.30 116.50 2qrs s MET 51 Ca 0.57 -0.67 -0.12 0.00 -1.71 0.00 0.00 55.69 53.76 2qrs s MET 51 Cb -0.10 -1.84 0.10 0.00 2.01 0.00 0.00 34.83 35.00 2qrs s MET 51 CO 0.16 0.15 1.13 -1.54 -0.01 0.00 0.00 175.02 174.92 2qrs s SER 52 N 0.37 4.04 0.71 3.03 1.04 0.17 -5.01 113.70 118.05 2qrs s SER 52 Ca -0.14 1.01 -0.13 0.00 0.48 0.00 0.00 55.95 57.17 2qrs s SER 52 Cb -0.16 -1.61 0.03 0.00 0.10 0.00 0.00 66.02 64.37 2qrs s SER 52 CO 0.06 -2.22 1.11 -1.81 0.98 0.00 0.00 173.24 171.35 2qrs s ASP 53 N -4.13 4.78 0.25 7.02 1.01 -1.26 -4.69 116.67 119.64 2qrs s ASP 53 Ca 0.62 1.96 -0.09 0.00 0.71 0.00 0.00 52.55 55.76 2qrs s ASP 53 Cb -0.14 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.18 2qrs s ASP 53 CO 0.53 -1.85 0.57 -0.32 0.21 0.00 0.00 175.17 174.30 2qrs s MET 54 N -4.38 3.79 0.25 8.23 1.75 -1.26 -4.68 119.30 122.99 2qrs s MET 54 Ca 0.65 0.26 0.01 0.00 -1.25 0.00 0.00 55.69 55.37 2qrs s MET 54 Cb -0.20 -2.63 -0.04 0.00 2.84 0.00 0.00 34.83 34.81 2qrs s MET 54 CO 0.47 0.28 0.19 -1.12 -0.65 0.00 0.00 175.02 174.20 2qrs s SER 55 N -2.50 0.64 0.06 1.11 0.01 -0.96 -5.02 113.70 107.05 2qrs s SER 55 Ca 0.47 -1.50 0.01 0.00 1.31 0.00 0.00 55.95 56.25 2qrs s SER 55 Cb -0.11 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.53 2qrs s SER 55 CO 0.23 -0.93 -0.06 0.72 0.41 0.00 0.00 173.24 173.61 2qrs s PHE 56 N -3.90 0.68 0.72 2.43 -0.12 -1.26 -0.88 117.98 115.64 2qrs s PHE 56 Ca 0.39 -0.77 -0.00 0.00 -0.05 0.00 0.00 56.93 56.50 2qrs s PHE 56 Cb 0.05 -0.42 0.13 0.00 -0.63 0.00 0.00 43.02 42.15 2qrs s PHE 56 CO 0.17 -0.18 0.99 -1.12 -0.05 0.00 0.00 175.22 175.04 2qrs s SER 57 N -2.38 4.35 0.59 1.98 0.01 1.00 -4.94 113.70 114.31 2qrs s SER 57 Ca 0.01 -0.39 0.37 0.00 1.31 0.00 0.00 55.95 57.24 2qrs s SER 57 Cb -0.01 0.02 1.82 0.00 0.21 0.00 0.00 66.02 68.07 2qrs s SER 57 CO -0.04 -1.86 2.16 0.07 0.41 0.00 0.00 173.24 173.98 2qrs h LYS 58 N -0.52 0.00 -0.65 12.44 2.10 -2.03 -0.32 116.57 127.60 2qrs h LYS 58 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2qrs h LYS 58 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2qrs h LYS 58 CO 0.40 0.03 0.00 -0.40 -2.00 0.00 0.00 179.45 177.47 2qrs n ASP 59 N -3.21 3.29 0.00 7.07 5.68 -1.26 -4.90 116.55 123.22 2qrs n ASP 59 Ca -0.01 -2.36 0.00 0.00 -0.50 0.00 0.00 54.79 51.91 2qrs n ASP 59 Cb 0.19 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 2qrs n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2qrs n TRP 60 N 0.50 0.00 -2.77 2.11 7.02 -0.13 -5.00 117.44 119.17 2qrs n TRP 60 Ca 0.16 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.30 2qrs n TRP 60 Cb 0.66 -0.26 -0.06 0.00 -2.42 0.00 0.00 31.31 29.22 2qrs n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2qrs s SER 61 N -3.41 6.90 0.42 -0.99 1.04 -1.26 -4.61 113.70 111.78 2qrs s SER 61 Ca 0.00 1.75 -0.02 0.00 0.48 0.00 0.00 55.95 58.17 2qrs s SER 61 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 2qrs s SER 61 CO 0.00 -0.39 0.67 -0.36 0.98 0.00 0.00 173.24 174.14 2qrs s PHE 62 N -2.07 3.46 0.03 5.02 0.40 -0.35 -0.00 117.98 124.48 2qrs s PHE 62 Ca 0.61 0.50 -0.14 0.00 -0.60 0.00 0.00 56.93 57.30 2qrs s PHE 62 Cb -0.12 -2.15 0.02 0.00 0.51 0.00 0.00 43.02 41.29 2qrs s PHE 62 CO 0.16 -0.14 0.31 1.52 0.70 0.00 0.00 175.22 177.77 2qrs s TYR 63 N -2.54 -0.13 0.00 0.36 1.13 -0.06 -2.15 117.35 113.97 2qrs s TYR 63 Ca 0.45 0.04 -0.28 0.00 -1.41 0.00 0.00 57.07 55.87 2qrs s TYR 63 Cb -0.10 0.10 0.08 0.00 -1.10 0.00 0.00 41.96 40.94 2qrs s TYR 63 CO 0.40 -0.48 0.70 -1.50 -2.51 0.00 0.00 175.55 172.15 2qrs s ILE 64 N -2.29 0.00 -0.14 -3.49 2.07 0.11 -2.25 121.20 115.20 2qrs s ILE 64 Ca -0.07 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.20 2qrs s ILE 64 Cb -0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.58 2qrs s ILE 64 CO -0.02 0.00 -0.21 -0.22 -1.91 0.00 0.00 174.94 172.58 2qrs s LEU 65 N -1.72 2.15 0.04 8.50 2.96 -1.26 -1.16 118.68 128.19 2qrs s LEU 65 Ca -0.06 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.29 2qrs s LEU 65 Cb -0.00 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 2qrs s LEU 65 CO 0.01 0.08 -0.01 0.00 -1.32 0.00 0.00 176.35 175.12 2qrs s ALA 66 N 0.81 3.25 0.10 5.97 0.00 -0.15 -0.65 121.76 131.09 2qrs s ALA 66 Ca -0.07 -1.04 -0.23 0.00 0.00 0.00 0.00 51.96 50.63 2qrs s ALA 66 Cb -0.16 -1.25 0.06 0.00 0.00 0.00 0.00 23.12 21.78 2qrs s ALA 66 CO -0.02 0.67 0.56 -3.38 0.00 0.00 0.00 175.76 173.60 2qrs s HIS 67 N -1.18 -0.48 -0.02 0.00 -3.43 -0.43 0.16 115.29 109.92 2qrs s HIS 67 Ca 0.22 0.39 -0.16 0.00 -0.80 0.00 0.00 55.06 54.72 2qrs s HIS 67 Cb -0.12 0.45 0.03 0.00 -1.43 0.00 0.00 32.58 31.51 2qrs s HIS 67 CO 0.14 -0.75 0.33 -0.08 -2.00 0.00 0.00 174.74 172.37 2qrs s THR 68 N -3.17 0.05 0.37 -5.38 -1.32 -0.14 -0.96 115.64 105.10 2qrs s THR 68 Ca -0.02 -0.45 -0.25 0.00 -1.21 0.00 0.00 61.69 59.77 2qrs s THR 68 Cb -0.00 -0.63 -0.09 0.00 -1.51 0.00 0.00 72.50 70.27 2qrs s THR 68 CO -0.08 -0.24 1.06 -1.61 -2.21 0.00 0.00 174.62 171.54 2qrs s GLU 69 N -1.30 4.27 0.21 7.08 2.02 -1.26 -0.57 118.70 129.14 2qrs s GLU 69 Ca -0.13 1.59 -0.22 0.00 0.02 0.00 0.00 54.97 56.22 2qrs s GLU 69 Cb -0.05 -2.70 0.05 0.00 0.10 0.00 0.00 34.13 31.53 2qrs s GLU 69 CO 0.04 -0.06 0.66 -0.59 0.02 0.00 0.00 175.26 175.33 2qrs s PHE 70 N -1.53 -0.39 -0.34 1.61 -0.71 -0.88 -4.85 117.98 110.89 2qrs s PHE 70 Ca 0.55 0.08 0.00 0.00 -1.04 0.00 0.00 56.93 56.51 2qrs s PHE 70 Cb -0.25 0.62 0.11 0.00 -1.21 0.00 0.00 43.02 42.29 2qrs s PHE 70 CO 0.31 -1.01 0.12 0.99 -1.34 0.00 0.00 175.22 174.30 2qrs s THR 71 N -3.81 1.05 0.64 -4.49 2.01 -1.26 0.35 115.64 110.13 2qrs s THR 71 Ca 0.05 -1.68 -0.18 0.00 0.31 0.00 0.00 61.69 60.19 2qrs s THR 71 Cb -0.03 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 2qrs s THR 71 CO -0.05 -0.72 1.29 -2.16 -0.69 0.00 0.00 174.62 172.30 2qrs s PRO 72 N 1.33 2.61 0.37 4.92 0.04 -1.26 -4.74 135.00 138.27 2qrs s PRO 72 Ca 0.11 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.25 2qrs s PRO 72 Cb -0.19 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2qrs s PRO 72 CO -0.19 -1.55 0.14 0.95 0.04 0.00 0.00 177.00 176.39 2qrs s THR 73 N -1.40 0.56 0.29 1.26 -4.23 -1.26 -1.25 115.64 109.61 2qrs s THR 73 Ca 0.82 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.37 2qrs s THR 73 Cb -0.37 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 71.09 2qrs s THR 73 CO 0.40 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 176.12 2qrs h GLU 74 N 1.94 0.40 0.00 3.99 4.81 -1.98 -3.36 114.58 120.39 2qrs h GLU 74 Ca -0.35 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2qrs h GLU 74 Cb 1.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2qrs h GLU 74 CO 0.56 0.66 -0.72 0.25 -0.73 0.00 0.00 179.01 179.03 2qrs n THR 75 N -4.10 0.00 -2.15 0.32 -2.24 -1.26 -5.00 114.28 99.85 2qrs n THR 75 Ca -0.01 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 2qrs n THR 75 Cb 0.42 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 2qrs n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qrs s ASP 76 N -2.24 6.81 -0.08 3.42 1.01 -1.26 -5.01 116.67 119.32 2qrs s ASP 76 Ca 0.02 2.38 -0.04 0.00 0.71 0.00 0.00 52.55 55.61 2qrs s ASP 76 Cb 0.07 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 2qrs s ASP 76 CO 0.41 -0.64 0.12 0.42 0.21 0.00 0.00 175.17 175.68 2qrs s THR 77 N 0.85 5.20 0.20 -1.27 -4.23 -1.26 -4.80 115.64 110.34 2qrs s THR 77 Ca 0.63 -0.02 0.11 0.00 -1.18 0.00 0.00 61.69 61.23 2qrs s THR 77 Cb -0.38 -3.30 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 2qrs s THR 77 CO 0.33 0.52 -0.22 -0.31 -0.54 0.00 0.00 174.62 174.40 2qrs s TYR 78 N -1.09 2.17 0.20 3.99 1.51 -1.26 -0.73 117.35 122.13 2qrs s TYR 78 Ca 0.18 -0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 55.67 2qrs s TYR 78 Cb -0.12 -1.05 0.03 0.00 -0.11 0.00 0.00 41.96 40.71 2qrs s TYR 78 CO 0.08 0.50 0.55 0.00 -1.11 0.00 0.00 175.55 175.57 2qrs s ALA 79 N -1.96 -1.02 -0.07 3.71 0.00 -0.43 -1.02 121.76 120.98 2qrs s ALA 79 Ca 0.21 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.02 2qrs s ALA 79 Cb -0.07 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.92 2qrs s ALA 79 CO 0.10 -0.83 -0.14 0.00 0.00 0.00 0.00 175.76 174.89 2qrs s ARG 81 N 0.58 3.33 -0.09 0.00 3.52 0.15 -0.79 118.95 125.65 2qrs s ARG 81 Ca -0.14 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 54.79 2qrs s ARG 81 Cb -0.16 -2.64 0.00 0.00 -1.56 0.00 0.00 34.95 30.59 2qrs s ARG 81 CO 0.04 0.15 -0.23 0.08 -0.81 0.00 0.00 175.30 174.53 2qrs s VAL 82 N 0.52 1.95 -0.17 7.11 1.01 -0.07 -1.15 120.40 129.60 2qrs s VAL 82 Ca -0.09 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 2qrs s VAL 82 Cb -0.16 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2qrs s VAL 82 CO 0.04 0.54 -0.08 -0.75 0.00 0.00 0.00 175.10 174.85 2qrs s LYS 83 N 0.31 3.46 -0.13 2.72 2.20 0.04 -0.72 119.74 127.62 2qrs s LYS 83 Ca -0.16 -0.62 -0.15 0.00 -0.36 0.00 0.00 55.97 54.67 2qrs s LYS 83 Cb -0.17 -2.84 0.04 0.00 -1.51 0.00 0.00 37.83 33.35 2qrs s LYS 83 CO 0.08 0.08 0.41 -1.58 -0.36 0.00 0.00 175.35 173.98 2qrs s HIS 84 N 0.73 -0.42 0.65 4.03 2.46 -1.26 -1.54 115.29 119.95 2qrs s HIS 84 Ca -0.03 0.99 0.25 0.00 0.47 0.00 0.00 55.06 56.73 2qrs s HIS 84 Cb -0.15 0.16 1.32 0.00 -0.13 0.00 0.00 32.58 33.78 2qrs s HIS 84 CO 0.02 -0.26 1.75 0.00 -2.47 0.00 0.00 174.74 173.78 2qrs h ALA 85 N 5.16 1.62 0.00 1.58 0.00 -1.94 -0.36 119.26 125.33 2qrs h ALA 85 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qrs h ALA 85 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qrs h ALA 85 CO 0.27 -0.54 0.00 -1.13 0.00 0.00 0.00 179.25 177.85 2qrs n SER 86 N -2.96 0.72 -4.29 0.00 3.41 -1.26 -4.75 113.62 104.48 2qrs n SER 86 Ca 0.01 0.61 -0.30 0.00 -0.26 0.00 0.00 58.87 58.93 2qrs n SER 86 Cb 0.56 -0.79 -0.16 0.00 -0.26 0.00 0.00 64.21 63.56 2qrs n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2qrs s MET 87 N -3.19 1.92 0.40 4.33 -1.94 -0.15 -4.89 119.30 115.79 2qrs s MET 87 Ca 0.08 -0.93 0.12 0.00 -1.71 0.00 0.00 55.69 53.26 2qrs s MET 87 Cb 0.11 -1.91 0.84 0.00 2.01 0.00 0.00 34.83 35.88 2qrs s MET 87 CO 0.50 0.52 1.91 0.00 -0.01 0.00 0.00 175.02 177.94 2qrs h ALA 88 N 5.35 1.53 -2.26 3.03 0.00 -1.85 -3.43 119.26 121.62 2qrs h ALA 88 Ca -0.43 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.08 2qrs h ALA 88 Cb 1.13 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 2qrs h ALA 88 CO 0.46 0.35 -0.69 -1.21 0.00 0.00 0.00 179.25 178.16 2qrs s GLU 89 N -4.50 0.68 0.50 0.00 2.02 -1.26 -5.11 118.70 111.04 2qrs s GLU 89 Ca -0.04 -1.24 -0.23 0.00 0.02 0.00 0.00 54.97 53.47 2qrs s GLU 89 Cb 0.15 0.05 -0.06 0.00 0.10 0.00 0.00 34.13 34.37 2qrs s GLU 89 CO 0.72 -0.07 1.40 -2.30 0.02 0.00 0.00 175.26 175.02 2qrs n PRO 90 N 0.10 1.96 -3.74 0.39 -0.02 -1.26 -4.86 135.00 127.57 2qrs n PRO 90 Ca -0.14 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 2qrs n PRO 90 Cb 0.61 -2.61 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 2qrs n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qrs s LYS 91 N -2.69 3.92 -0.17 -0.52 2.47 0.10 -4.90 119.74 117.95 2qrs s LYS 91 Ca 0.67 -0.35 -0.05 0.00 -1.56 0.00 0.00 55.97 54.67 2qrs s LYS 91 Cb -0.43 -3.45 -0.03 0.00 -1.46 0.00 0.00 37.83 32.45 2qrs s LYS 91 CO 0.53 -0.02 0.01 0.99 0.16 0.00 0.00 175.35 177.02 2qrs s THR 92 N 1.24 4.34 -0.14 3.43 2.01 -1.26 -0.89 115.64 124.37 2qrs s THR 92 Ca 0.06 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 61.88 2qrs s THR 92 Cb -0.14 -2.93 0.02 0.00 0.01 0.00 0.00 72.50 69.46 2qrs s THR 92 CO 0.05 0.48 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.61 2qrs s VAL 93 N 0.32 1.72 0.21 3.82 1.01 0.03 -4.97 120.40 122.53 2qrs s VAL 93 Ca -0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 2qrs s VAL 93 Cb -0.13 -1.57 -0.08 0.00 0.00 0.00 0.00 36.38 34.60 2qrs s VAL 93 CO 0.02 0.48 0.64 -0.31 0.00 0.00 0.00 175.10 175.93 2qrs s TYR 94 N 1.19 3.57 0.03 5.22 1.51 -1.26 -0.89 117.35 126.73 2qrs s TYR 94 Ca -0.00 1.19 -0.30 0.00 -1.01 0.00 0.00 57.07 56.94 2qrs s TYR 94 Cb -0.14 -2.48 -0.05 0.00 -0.11 0.00 0.00 41.96 39.19 2qrs s TYR 94 CO -0.07 0.33 1.12 -0.46 -1.11 0.00 0.00 175.55 175.36 2qrs s TRP 95 N -1.59 3.50 -0.27 2.71 -0.00 -0.19 -4.87 118.94 118.23 2qrs s TRP 95 Ca 0.43 1.44 0.02 0.00 -0.00 0.00 0.00 56.10 57.99 2qrs s TRP 95 Cb -0.15 -3.31 0.07 0.00 -0.00 0.00 0.00 33.47 30.08 2qrs s TRP 95 CO 0.20 -0.83 -0.02 0.16 -0.00 0.00 0.00 176.95 176.45 2qrs s ASP 96 N 1.06 4.23 0.17 5.86 -4.77 -1.26 -4.69 116.67 117.27 2qrs s ASP 96 Ca 0.56 -1.52 -0.14 0.00 -3.30 0.00 0.00 52.55 48.16 2qrs s ASP 96 Cb -0.26 -1.33 0.14 0.00 -1.09 0.00 0.00 42.92 40.37 2qrs s ASP 96 CO 0.28 -0.28 1.75 0.03 0.70 0.00 0.00 175.17 177.65 2qrs h ARG 97 N 7.85 0.32 -0.67 2.11 3.08 -1.95 -2.91 114.38 122.21 2qrs h ARG 97 Ca -0.14 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.95 2qrs h ARG 97 Cb 1.05 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.93 2qrs h ARG 97 CO 0.46 0.21 -0.52 0.22 -1.07 0.00 0.00 179.97 179.27 2qrs h ASP 98 N 0.33 -1.83 -2.93 7.04 1.82 -2.04 -3.51 116.42 115.30 2qrs h ASP 98 Ca 0.21 0.26 -0.57 0.00 -0.39 0.00 0.00 57.03 56.55 2qrs h ASP 98 Cb 0.22 0.78 -0.03 0.00 0.68 0.00 0.00 39.33 40.98 2qrs h ASP 98 CO -0.22 -0.27 -0.38 -0.04 -1.61 0.00 0.00 179.24 176.72 2qrs s MET 99 N -5.29 3.52 0.00 0.28 -1.94 -1.10 -5.06 119.30 109.71 2qrs s MET 99 Ca -0.12 -0.32 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 2qrs s MET 99 Cb 0.09 -2.90 0.00 0.00 2.01 0.00 0.00 34.83 34.03 2qrs s MET 99 CO 0.55 0.48 0.00 0.41 -0.01 0.00 0.00 175.02 176.45 2qrs n GLY 1 N -0.20 0.57 1.07 -0.03 0.00 -1.26 -4.87 105.19 100.47 2qrs n GLY 1 Ca -0.04 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 2qrs n GLY 1 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qrs n PRO 2 N 0.00 -2.65 -3.59 1.61 -0.04 -1.26 -4.32 135.00 124.76 2qrs n PRO 2 Ca 0.00 -0.50 -0.11 0.00 -0.04 0.00 0.00 63.50 62.85 2qrs n PRO 2 Cb 0.00 -0.60 -0.03 0.00 -0.04 0.00 0.00 33.50 32.82 2qrs n PRO 2 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2qrs s HIS 3 N -1.43 -0.30 -0.04 0.54 3.76 -0.51 -4.93 115.29 112.37 2qrs s HIS 3 Ca 0.22 0.01 -0.14 0.00 -0.15 0.00 0.00 55.06 55.01 2qrs s HIS 3 Cb -0.03 0.41 0.03 0.00 1.11 0.00 0.00 32.58 34.09 2qrs s HIS 3 CO 0.18 -0.81 0.31 -1.54 -0.85 0.00 0.00 174.74 172.03 2qrs s SER 4 N -2.80 -0.23 -0.22 1.40 1.04 -1.26 -0.16 113.70 111.47 2qrs s SER 4 Ca 0.04 0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.72 2qrs s SER 4 Cb 0.00 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.58 2qrs s SER 4 CO -0.10 -0.36 -0.09 -0.22 0.98 0.00 0.00 173.24 173.45 2qrs s LEU 5 N -0.92 2.58 0.01 2.42 2.96 -0.29 -0.24 118.68 125.19 2qrs s LEU 5 Ca -0.10 -1.06 0.02 0.00 -0.22 0.00 0.00 54.13 52.78 2qrs s LEU 5 Cb -0.04 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 2qrs s LEU 5 CO 0.03 -0.17 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.69 2qrs s ARG 6 N 1.34 0.50 -0.12 1.98 0.52 0.06 -1.18 118.95 122.05 2qrs s ARG 6 Ca -0.04 -0.36 -0.00 0.00 -0.52 0.00 0.00 55.73 54.81 2qrs s ARG 6 Cb -0.18 -0.43 -0.02 0.00 0.52 0.00 0.00 34.95 34.84 2qrs s ARG 6 CO -0.07 0.11 -0.11 0.71 0.02 0.00 0.00 175.30 175.96 2qrs s TYR 7 N -0.47 2.85 -0.25 -0.53 2.02 0.87 0.09 117.35 121.93 2qrs s TYR 7 Ca -0.01 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 2qrs s TYR 7 Cb -0.04 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.72 2qrs s TYR 7 CO -0.00 -0.05 -0.04 -0.06 -1.57 0.00 0.00 175.55 173.83 2qrs s PHE 8 N 0.05 3.07 -0.08 2.71 0.40 0.13 -1.53 117.98 122.73 2qrs s PHE 8 Ca -0.03 -1.40 0.01 0.00 -0.60 0.00 0.00 56.93 54.91 2qrs s PHE 8 Cb -0.14 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 2qrs s PHE 8 CO 0.04 -0.69 -0.10 0.08 0.70 0.00 0.00 175.22 175.25 2qrs s VAL 9 N 1.37 3.44 -0.05 -0.44 1.01 0.01 -1.30 120.40 124.43 2qrs s VAL 9 Ca 0.01 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2qrs s VAL 9 Cb -0.16 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2qrs s VAL 9 CO -0.03 0.58 -0.08 -0.89 0.00 0.00 0.00 175.10 174.67 2qrs s THR 10 N -0.57 0.82 -0.15 3.92 2.01 -0.43 -1.62 115.64 119.62 2qrs s THR 10 Ca 0.08 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.78 2qrs s THR 10 Cb -0.12 -0.79 0.04 0.00 0.01 0.00 0.00 72.50 71.64 2qrs s THR 10 CO 0.02 0.29 -0.06 0.00 -0.69 0.00 0.00 174.62 174.17 2qrs s ALA 11 N 0.77 1.45 -0.17 7.40 0.00 -0.33 -0.66 121.76 130.23 2qrs s ALA 11 Ca -0.13 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2qrs s ALA 11 Cb -0.15 -1.07 0.03 0.00 0.00 0.00 0.00 23.12 21.92 2qrs s ALA 11 CO 0.02 -0.69 -0.14 0.08 0.00 0.00 0.00 175.76 175.03 2qrs s VAL 12 N 1.65 1.67 0.51 0.00 1.01 0.07 -1.21 120.40 124.10 2qrs s VAL 12 Ca 0.02 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 2qrs s VAL 12 Cb -0.15 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 2qrs s VAL 12 CO -0.08 0.40 1.03 -0.94 0.00 0.00 0.00 175.10 175.51 2qrs s SER 13 N 1.43 6.26 -0.41 3.32 1.04 -0.34 -0.64 113.70 124.36 2qrs s SER 13 Ca 0.03 1.85 0.06 0.00 0.48 0.00 0.00 55.95 58.37 2qrs s SER 13 Cb -0.14 -2.55 0.21 0.00 0.10 0.00 0.00 66.02 63.65 2qrs s SER 13 CO -0.10 -0.84 0.46 0.54 0.98 0.00 0.00 173.24 174.27 2qrs n ARG 14 N -1.29 0.46 -1.70 4.02 1.74 -1.26 -4.01 116.66 114.63 2qrs n ARG 14 Ca 0.09 -3.11 -0.43 0.00 -0.77 0.00 0.00 57.85 53.62 2qrs n ARG 14 Cb 0.53 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 2qrs n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2qrs n PRO 15 N 2.13 2.56 -0.97 5.56 -0.02 -1.26 -1.32 135.00 141.68 2qrs n PRO 15 Ca 0.25 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 2qrs n PRO 15 Cb 0.51 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 2qrs n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qrs n GLY 16 N 3.67 0.67 0.40 -1.23 0.00 -1.26 -4.83 105.19 102.61 2qrs n GLY 16 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 2qrs n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qrs n LEU 17 N 0.00 0.29 0.00 0.99 4.77 -0.44 -5.14 117.00 117.47 2qrs n LEU 17 Ca 0.00 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 2qrs n LEU 17 Cb 0.00 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2qrs n LEU 17 CO 0.00 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2qrs n GLY 18 N -0.17 -1.76 3.70 -0.72 0.00 -1.20 -4.98 105.19 100.06 2qrs n GLY 18 Ca 0.02 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 2qrs n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qrs s GLU 19 N 0.00 1.43 0.52 1.61 0.41 -1.26 -4.32 118.70 117.09 2qrs s GLU 19 Ca 0.00 1.54 -0.22 0.00 -0.41 0.00 0.00 54.97 55.88 2qrs s GLU 19 Cb 0.00 -1.77 -0.06 0.00 -1.78 0.00 0.00 34.13 30.52 2qrs s GLU 19 CO 0.00 -2.32 1.34 -2.14 -0.49 0.00 0.00 175.26 171.65 2qrs s PRO 20 N -4.54 3.30 -0.06 0.39 0.02 -1.26 -4.59 135.00 128.26 2qrs s PRO 20 Ca 0.67 2.20 -0.21 0.00 0.02 0.00 0.00 61.00 63.68 2qrs s PRO 20 Cb -0.23 -2.33 -0.04 0.00 0.02 0.00 0.00 34.50 31.91 2qrs s PRO 20 CO 0.55 -1.05 0.60 0.50 -0.33 0.00 0.00 177.00 177.27 2qrs s ARG 21 N -2.82 4.37 -0.06 5.54 3.52 0.19 -4.87 118.95 124.83 2qrs s ARG 21 Ca 0.69 0.71 0.04 0.00 -0.13 0.00 0.00 55.73 57.04 2qrs s ARG 21 Cb -0.39 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 2qrs s ARG 21 CO 0.47 0.19 -0.18 -0.47 -0.81 0.00 0.00 175.30 174.50 2qrs s TYR 22 N 0.42 1.92 -0.00 5.12 5.04 -1.26 -0.75 117.35 127.83 2qrs s TYR 22 Ca 0.32 -0.65 -0.01 0.00 -2.44 0.00 0.00 57.07 54.29 2qrs s TYR 22 Cb -0.17 -1.30 -0.00 0.00 0.35 0.00 0.00 41.96 40.83 2qrs s TYR 22 CO 0.16 -0.25 0.02 -1.64 -1.34 0.00 0.00 175.55 172.50 2qrs s MET 23 N 0.22 0.17 -0.09 4.97 -1.94 0.17 -0.88 119.30 121.93 2qrs s MET 23 Ca -0.10 -0.21 0.01 0.00 -1.71 0.00 0.00 55.69 53.68 2qrs s MET 23 Cb -0.14 0.07 0.02 0.00 2.01 0.00 0.00 34.83 36.78 2qrs s MET 23 CO 0.04 -0.03 -0.09 -1.21 -0.01 0.00 0.00 175.02 173.72 2qrs s GLU 24 N -0.60 1.51 -0.10 2.03 2.02 -0.45 -1.31 118.70 121.80 2qrs s GLU 24 Ca -0.07 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.64 2qrs s GLU 24 Cb -0.04 -1.43 0.02 0.00 0.10 0.00 0.00 34.13 32.78 2qrs s GLU 24 CO -0.00 -0.13 -0.12 0.08 0.02 0.00 0.00 175.26 175.11 2qrs s VAL 25 N 1.20 1.25 0.02 2.63 1.01 -0.42 -0.34 120.40 125.74 2qrs s VAL 25 Ca -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2qrs s VAL 25 Cb -0.14 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2qrs s VAL 25 CO -0.02 0.39 0.02 -0.83 0.00 0.00 0.00 175.10 174.65 2qrs s GLY 26 N 1.08 1.91 -0.01 4.51 0.00 -0.64 0.17 107.32 114.34 2qrs s GLY 26 Ca -0.06 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.71 2qrs s GLY 26 CO -0.02 -0.87 -0.09 -0.19 0.00 0.00 0.00 173.10 171.94 2qrs s TYR 27 N -1.16 0.77 -0.16 1.90 1.51 0.11 -0.75 117.35 119.57 2qrs s TYR 27 Ca 0.22 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 2qrs s TYR 27 Cb -0.12 -0.50 0.01 0.00 -0.11 0.00 0.00 41.96 41.24 2qrs s TYR 27 CO 0.13 -0.02 -0.17 0.08 -1.11 0.00 0.00 175.55 174.46 2qrs s VAL 28 N -0.18 2.44 -1.48 0.71 1.01 -0.61 -0.76 120.40 121.53 2qrs s VAL 28 Ca 0.03 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 2qrs s VAL 28 Cb -0.04 -2.03 0.09 0.00 0.00 0.00 0.00 36.38 34.41 2qrs s VAL 28 CO -0.00 0.52 0.73 0.47 0.00 0.00 0.00 175.10 176.82 2qrs n ASP 29 N 4.25 -4.18 -0.32 3.32 8.00 0.66 -1.35 116.55 126.93 2qrs n ASP 29 Ca -0.20 -0.65 -0.04 0.00 0.71 0.00 0.00 54.79 54.61 2qrs n ASP 29 Cb 0.51 -3.39 -0.02 0.00 -0.02 0.00 0.00 41.12 38.20 2qrs n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qrs n ASP 30 N -2.57 -3.82 -4.23 -2.24 8.00 -1.26 -4.99 116.55 105.45 2qrs n ASP 30 Ca 0.02 0.10 -0.32 0.00 0.71 0.00 0.00 54.79 55.30 2qrs n ASP 30 Cb 0.53 -1.69 -0.16 0.00 -0.02 0.00 0.00 41.12 39.78 2qrs n ASP 30 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qrs s THR 31 N -2.05 2.22 0.09 -3.53 -4.23 -0.46 -5.06 115.64 102.61 2qrs s THR 31 Ca 0.00 -0.95 -0.31 0.00 -1.18 0.00 0.00 61.69 59.25 2qrs s THR 31 Cb 0.00 -1.87 -0.09 0.00 1.34 0.00 0.00 72.50 71.88 2qrs s THR 31 CO 0.00 0.55 1.63 -0.70 -0.54 0.00 0.00 174.62 175.56 2qrs s GLU 32 N 0.47 4.20 0.00 3.99 2.12 -1.26 -1.58 118.70 126.65 2qrs s GLU 32 Ca -0.15 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.51 2qrs s GLU 32 Cb -0.17 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.70 2qrs s GLU 32 CO 0.06 -0.71 0.00 1.97 -0.54 0.00 0.00 175.26 176.04 2qrs n PHE 33 N 5.29 0.00 -3.90 5.30 -1.74 0.07 -4.29 117.46 118.19 2qrs n PHE 33 Ca 0.15 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.94 2qrs n PHE 33 Cb 0.40 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.31 2qrs n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2qrs s VAL 34 N -1.76 0.11 -0.20 1.97 -7.23 -1.23 0.19 120.40 112.26 2qrs s VAL 34 Ca 0.00 -0.94 -0.14 0.00 -1.81 0.00 0.00 61.98 59.09 2qrs s VAL 34 Cb 0.00 -0.73 0.06 0.00 0.56 0.00 0.00 36.38 36.27 2qrs s VAL 34 CO 0.00 -0.52 0.50 -0.60 -0.31 0.00 0.00 175.10 174.18 2qrs s ARG 35 N -2.19 0.54 -0.13 4.82 3.52 -0.75 -1.62 118.95 123.14 2qrs s ARG 35 Ca -0.08 0.83 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 2qrs s ARG 35 Cb -0.03 0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.51 2qrs s ARG 35 CO -0.02 -0.12 -0.20 0.12 -0.81 0.00 0.00 175.30 174.27 2qrs s PHE 36 N 0.94 2.46 -0.16 5.12 2.19 0.53 -1.26 117.98 127.81 2qrs s PHE 36 Ca -0.05 -1.23 -0.01 0.00 0.33 0.00 0.00 56.93 55.96 2qrs s PHE 36 Cb -0.06 -1.70 0.04 0.00 -1.31 0.00 0.00 43.02 40.00 2qrs s PHE 36 CO -0.08 -0.58 -0.02 0.34 1.83 0.00 0.00 175.22 176.71 2qrs s ASP 37 N 0.89 2.63 0.43 6.13 -1.08 -1.26 -1.35 116.67 123.07 2qrs s ASP 37 Ca -0.06 -0.61 0.29 0.00 -0.52 0.00 0.00 52.55 51.65 2qrs s ASP 37 Cb -0.15 -0.73 1.57 0.00 -1.46 0.00 0.00 42.92 42.14 2qrs s ASP 37 CO -0.02 -0.22 1.90 0.77 0.52 0.00 0.00 175.17 178.11 2qrs h SER 38 N 8.19 0.00 -0.04 -0.34 4.64 -1.40 -2.98 113.55 121.63 2qrs h SER 38 Ca -0.21 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 2qrs h SER 38 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2qrs h SER 38 CO 0.35 0.00 0.01 0.47 -0.87 0.00 0.00 176.83 176.80 2qrs n ASP 39 N -2.54 1.80 -4.10 4.97 9.92 -1.26 -4.73 116.55 120.60 2qrs n ASP 39 Ca -0.02 -2.06 -0.15 0.00 -0.53 0.00 0.00 54.79 52.03 2qrs n ASP 39 Cb 0.07 -0.51 0.06 0.00 -0.64 0.00 0.00 41.12 40.10 2qrs n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qrs n ALA 40 N 0.15 0.69 -0.04 2.24 0.00 -1.13 -5.05 120.51 117.37 2qrs n ALA 40 Ca 0.02 -1.53 -0.13 0.00 0.00 0.00 0.00 53.44 51.80 2qrs n ALA 40 Cb 0.38 0.37 -0.14 0.00 0.00 0.00 0.00 19.45 20.06 2qrs n ALA 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qrs n GLU 41 N -2.07 0.67 -2.77 0.00 4.07 -1.26 -4.29 120.64 115.00 2qrs n GLU 41 Ca 0.12 0.21 -0.20 0.00 -0.06 0.00 0.00 57.16 57.23 2qrs n GLU 41 Cb 0.44 -1.69 -0.01 0.00 -0.06 0.00 0.00 31.44 30.13 2qrs n GLU 41 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2qrs n ASN 42 N -3.10 3.01 -4.14 4.31 5.15 -1.26 -5.09 115.26 114.15 2qrs n ASN 42 Ca -0.26 -3.30 -0.59 0.00 -0.60 0.00 0.00 54.58 49.83 2qrs n ASN 42 Cb 1.07 -0.53 -0.09 0.00 -0.53 0.00 0.00 39.78 39.70 2qrs n ASN 42 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2qrs n PRO 43 N -0.17 0.00 -4.23 1.20 -0.04 -1.26 -4.95 135.00 125.55 2qrs n PRO 43 Ca 0.26 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.59 2qrs n PRO 43 Cb 0.65 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.70 2qrs n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2qrs s ARG 44 N 2.51 0.99 0.16 0.54 1.81 -1.26 -5.00 118.95 118.70 2qrs s ARG 44 Ca 0.91 -1.41 -0.30 0.00 -1.72 0.00 0.00 55.73 53.21 2qrs s ARG 44 Cb -1.30 -0.51 -0.08 0.00 -0.45 0.00 0.00 34.95 32.61 2qrs s ARG 44 CO 0.71 0.05 1.25 0.71 -0.68 0.00 0.00 175.30 177.33 2qrs s TYR 45 N -3.37 3.36 0.08 -0.53 1.51 -1.26 -4.49 117.35 112.65 2qrs s TYR 45 Ca 0.15 1.30 0.08 0.00 -1.01 0.00 0.00 57.07 57.59 2qrs s TYR 45 Cb 0.03 -3.50 -0.03 0.00 -0.11 0.00 0.00 41.96 38.35 2qrs s TYR 45 CO -0.01 -1.52 -0.21 -1.21 -1.11 0.00 0.00 175.55 171.49 2qrs s GLU 46 N 0.14 1.25 0.45 -0.62 0.41 -0.39 -4.95 118.70 114.98 2qrs s GLU 46 Ca 0.56 -1.09 -0.22 0.00 -0.41 0.00 0.00 54.97 53.81 2qrs s GLU 46 Cb -0.34 -1.47 -0.08 0.00 -1.78 0.00 0.00 34.13 30.46 2qrs s GLU 46 CO 0.35 0.36 1.06 -1.25 -0.49 0.00 0.00 175.26 175.29 2qrs s PRO 47 N -1.63 3.92 0.00 0.39 0.04 -1.26 -1.81 135.00 134.65 2qrs s PRO 47 Ca 0.07 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2qrs s PRO 47 Cb -0.10 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.14 2qrs s PRO 47 CO 0.03 -0.35 0.18 0.54 0.04 0.00 0.00 177.00 177.44 2qrs n ARG 48 N -0.57 3.38 -4.75 4.56 5.12 0.13 -4.84 116.66 119.69 2qrs n ARG 48 Ca 0.07 -0.18 -0.26 0.00 -1.93 0.00 0.00 57.85 55.56 2qrs n ARG 48 Cb 0.51 -0.65 -0.16 0.00 -1.16 0.00 0.00 32.46 30.99 2qrs n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qrs s ALA 49 N -0.53 1.44 0.35 7.54 0.00 -1.17 -4.78 121.76 124.60 2qrs s ALA 49 Ca 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 51.44 2qrs s ALA 49 Cb 0.00 -0.54 0.75 0.00 0.00 0.00 0.00 23.12 23.33 2qrs s ALA 49 CO 0.00 0.21 1.89 0.00 0.00 0.00 0.00 175.76 177.86 2qrs h ARG 50 N 6.56 0.74 0.00 0.00 3.08 -1.93 -1.08 114.38 121.75 2qrs h ARG 50 Ca -0.31 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2qrs h ARG 50 Cb 1.18 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2qrs h ARG 50 CO 0.48 0.49 0.00 -2.67 -1.07 0.00 0.00 179.97 177.20 2qrs n TRP 51 N -4.54 0.60 0.57 3.04 4.27 -1.26 -0.72 117.44 119.40 2qrs n TRP 51 Ca 0.16 0.31 0.13 0.00 -3.89 0.00 0.00 57.50 54.21 2qrs n TRP 51 Cb 0.38 -1.00 0.36 0.00 -1.36 0.00 0.00 31.31 29.69 2qrs n TRP 51 CO 0.00 0.00 0.00 0.52 -2.29 0.00 0.00 177.69 175.92 2qrs h MET 52 N 0.00 0.00 0.00 -2.67 2.86 -1.54 -3.16 114.93 110.43 2qrs h MET 52 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qrs h MET 52 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2qrs h MET 52 CO 0.00 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.36 2qrs n GLU 53 N -2.37 0.09 0.26 1.72 1.02 0.10 -1.30 120.64 120.16 2qrs n GLU 53 Ca 0.05 0.21 0.16 0.00 -0.02 0.00 0.00 57.16 57.56 2qrs n GLU 53 Cb 0.45 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 30.92 2qrs n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2qrs h GLN 54 N 0.00 0.00 -6.69 3.49 4.20 -1.75 -3.44 115.11 110.92 2qrs h GLN 54 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 2qrs h GLN 54 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2qrs h GLN 54 CO 0.00 0.01 0.43 -1.21 -0.67 0.00 0.00 178.83 177.39 2qrs s GLU 55 N -3.56 4.68 0.76 1.46 0.41 -0.42 -5.04 118.70 116.98 2qrs s GLU 55 Ca 0.02 1.64 -0.10 0.00 -0.41 0.00 0.00 54.97 56.12 2qrs s GLU 55 Cb 0.08 -3.28 0.07 0.00 -1.78 0.00 0.00 34.13 29.22 2qrs s GLU 55 CO 0.58 0.22 1.12 0.20 -0.49 0.00 0.00 175.26 176.88 2qrs s GLY 56 N -0.46 1.62 0.54 -1.39 0.00 -1.26 -4.92 107.32 101.45 2qrs s GLY 56 Ca 0.46 -0.69 0.33 0.00 0.00 0.00 0.00 44.72 44.82 2qrs s GLY 56 CO 0.35 -0.24 1.85 -0.56 0.00 0.00 0.00 173.10 174.49 2qrs h PRO 57 N -0.86 0.00 -0.57 2.90 0.13 -1.97 -1.49 132.00 130.13 2qrs h PRO 57 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 2qrs h PRO 57 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 2qrs h PRO 57 CO 0.64 0.00 -0.00 0.93 -0.23 0.00 0.00 178.00 179.34 2qrs h GLU 58 N 0.00 1.01 0.15 0.86 5.08 -1.99 -1.11 114.58 118.58 2qrs h GLU 58 Ca 0.46 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2qrs h GLU 58 Cb 1.89 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.05 2qrs h GLU 58 CO -0.00 1.00 -0.08 -0.92 -1.00 0.00 0.00 179.01 178.01 2qrs h TYR 59 N 0.90 -0.22 -0.27 4.33 3.20 -1.64 -0.82 116.97 122.45 2qrs h TYR 59 Ca 0.16 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 2qrs h TYR 59 Cb 0.55 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2qrs h TYR 59 CO 0.04 -0.13 0.17 -1.49 -1.64 0.00 0.00 178.16 175.10 2qrs h TRP 60 N -0.22 0.36 -0.47 -3.82 4.06 -1.47 -0.26 115.95 114.13 2qrs h TRP 60 Ca -0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 2qrs h TRP 60 Cb 0.18 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 2qrs h TRP 60 CO -0.08 0.26 0.31 1.49 -3.56 0.00 0.00 178.44 176.86 2qrs h GLU 61 N 0.35 0.62 -0.56 0.49 4.57 -1.15 0.70 114.58 119.60 2qrs h GLU 61 Ca 0.10 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2qrs h GLU 61 Cb 0.01 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2qrs h GLU 61 CO -0.02 0.42 0.20 -0.09 -1.18 0.00 0.00 179.01 178.34 2qrs h ARG 62 N 0.64 0.85 -0.54 1.92 2.43 -0.87 -0.95 114.38 117.86 2qrs h ARG 62 Ca 0.17 -0.17 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2qrs h ARG 62 Cb -0.06 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 2qrs h ARG 62 CO -0.04 0.76 -0.11 0.93 -1.51 0.00 0.00 179.97 180.00 2qrs h GLU 63 N 0.77 1.02 -0.36 0.20 4.39 -0.77 -2.00 114.58 117.84 2qrs h GLU 63 Ca 0.18 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 2qrs h GLU 63 Cb 0.24 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2qrs h GLU 63 CO -0.01 1.07 0.20 1.15 -1.16 0.00 0.00 179.01 180.26 2qrs h THR 64 N 0.91 1.13 -0.64 1.13 2.02 -0.64 0.12 112.91 116.93 2qrs h THR 64 Ca 0.14 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 2qrs h THR 64 Cb 0.68 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 2qrs h THR 64 CO 0.05 0.14 0.11 1.56 0.37 0.00 0.00 175.52 177.75 2qrs h GLN 65 N 0.45 1.06 -0.70 6.66 1.08 -1.08 -1.40 115.11 121.18 2qrs h GLN 65 Ca 0.13 -0.28 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 2qrs h GLN 65 Cb 0.04 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 2qrs h GLN 65 CO -0.02 0.98 0.29 -0.22 -0.95 0.00 0.00 178.83 178.90 2qrs h LYS 66 N 0.98 1.02 -0.71 1.46 3.64 -1.17 -1.22 116.57 120.56 2qrs h LYS 66 Ca 0.20 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2qrs h LYS 66 Cb 0.42 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2qrs h LYS 66 CO 0.01 0.82 0.33 0.00 -2.27 0.00 0.00 179.45 178.34 2qrs h ALA 67 N 1.31 0.92 -0.06 5.00 0.00 -0.35 -0.65 119.26 125.43 2qrs h ALA 67 Ca 0.24 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2qrs h ALA 67 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qrs h ALA 67 CO -0.02 0.49 -0.39 0.87 0.00 0.00 0.00 179.25 180.20 2qrs h LYS 68 N 1.00 0.12 -0.19 0.00 1.57 -0.81 0.10 116.57 118.36 2qrs h LYS 68 Ca 0.24 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 2qrs h LYS 68 Cb 0.14 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2qrs h LYS 68 CO -0.03 0.50 -0.15 0.78 -0.57 0.00 0.00 179.45 179.97 2qrs h GLY 69 N 1.19 0.48 1.16 3.86 0.00 -0.72 -3.05 103.07 105.99 2qrs h GLY 69 Ca 0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 2qrs h GLY 69 CO 0.06 0.43 0.31 3.43 0.00 0.00 0.00 176.54 180.76 2qrs h ASN 70 N 0.11 0.98 -0.77 0.19 2.35 -0.77 -2.50 115.58 115.18 2qrs h ASN 70 Ca 0.03 -0.13 0.11 0.00 -0.55 0.00 0.00 56.30 55.76 2qrs h ASN 70 Cb 0.68 -0.25 -0.08 0.00 0.05 0.00 0.00 38.32 38.71 2qrs h ASN 70 CO 0.04 0.86 0.39 -0.08 -1.65 0.00 0.00 177.43 176.99 2qrs h GLU 71 N 1.06 0.61 -0.74 0.81 4.81 -0.77 -1.97 114.58 118.38 2qrs h GLU 71 Ca 0.25 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 2qrs h GLU 71 Cb 0.17 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2qrs h GLU 71 CO -0.02 0.40 0.23 0.37 -0.73 0.00 0.00 179.01 179.26 2qrs h GLN 72 N 0.63 1.14 -0.51 1.92 5.75 -1.34 -0.00 115.11 122.69 2qrs h GLN 72 Ca 0.39 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.62 2qrs h GLN 72 Cb 0.46 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 2qrs h GLN 72 CO -0.30 0.96 0.17 0.77 -2.65 0.00 0.00 178.83 177.78 2qrs h SER 73 N 1.09 0.73 -0.06 -0.69 0.02 -1.27 -2.15 113.55 111.22 2qrs h SER 73 Ca 0.24 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 2qrs h SER 73 Cb 0.30 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2qrs h SER 73 CO -0.01 0.73 -0.23 -0.26 -1.14 0.00 0.00 176.83 175.92 2qrs h PHE 74 N 0.69 0.52 -0.38 3.45 0.04 -1.10 0.15 116.94 120.31 2qrs h PHE 74 Ca 0.16 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 60.85 2qrs h PHE 74 Cb 0.25 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 2qrs h PHE 74 CO 0.01 0.67 0.22 -0.09 -0.60 0.00 0.00 178.31 178.52 2qrs h ARG 75 N 0.42 0.44 -0.04 1.51 2.43 -0.68 -0.23 114.38 118.23 2qrs h ARG 75 Ca 0.07 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2qrs h ARG 75 Cb 0.63 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2qrs h ARG 75 CO 0.05 0.29 0.01 0.28 -1.51 0.00 0.00 179.97 179.09 2qrs h VAL 76 N 0.45 1.19 -0.98 0.20 2.07 -1.05 -3.03 116.25 115.11 2qrs h VAL 76 Ca 0.15 -0.57 0.11 0.00 0.82 0.00 0.00 66.70 67.21 2qrs h VAL 76 Cb 0.00 1.50 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 2qrs h VAL 76 CO -0.07 0.16 0.62 0.44 0.02 0.00 0.00 177.57 178.74 2qrs h ASP 77 N -0.16 0.90 -0.99 0.57 3.32 -0.39 -0.38 116.42 119.30 2qrs h ASP 77 Ca 0.01 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2qrs h ASP 77 Cb 0.24 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 2qrs h ASP 77 CO 0.00 0.50 0.66 -0.07 -1.72 0.00 0.00 179.24 178.60 2qrs h LEU 78 N 0.98 1.14 -0.41 1.55 3.38 -0.94 0.11 115.31 121.11 2qrs h LEU 78 Ca 0.47 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.30 2qrs h LEU 78 Cb 0.46 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2qrs h LEU 78 CO -0.23 0.82 -0.20 0.03 0.09 0.00 0.00 178.44 178.95 2qrs h ARG 79 N 1.34 0.86 -0.69 1.13 3.08 -1.10 -2.70 114.38 116.31 2qrs h ARG 79 Ca 0.36 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2qrs h ARG 79 Cb -0.15 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 2qrs h ARG 79 CO -0.08 1.02 0.37 1.15 -1.07 0.00 0.00 179.97 181.36 2qrs h THR 80 N 0.68 1.22 0.00 2.04 2.02 -0.56 -2.68 112.91 115.63 2qrs h THR 80 Ca 0.09 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 2qrs h THR 80 Cb 0.76 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2qrs h THR 80 CO 0.06 0.24 -0.34 -0.07 0.37 0.00 0.00 175.52 175.79 2qrs h LEU 81 N 0.95 0.00 -0.50 2.58 3.38 -0.71 -1.31 115.31 119.69 2qrs h LEU 81 Ca 0.24 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.25 2qrs h LEU 81 Cb 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2qrs h LEU 81 CO -0.04 0.34 0.27 -0.07 0.09 0.00 0.00 178.44 179.03 2qrs h LEU 82 N 0.00 0.41 -0.02 1.67 3.38 -1.14 0.97 115.31 120.58 2qrs h LEU 82 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qrs h LEU 82 Cb 0.70 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2qrs h LEU 82 CO 0.04 0.29 -0.00 1.23 0.09 0.00 0.00 178.44 180.09 2qrs h GLY 83 N 0.53 0.04 0.43 0.83 0.00 -1.42 0.82 103.07 104.30 2qrs h GLY 83 Ca 0.21 -0.03 0.18 0.00 0.00 0.00 0.00 47.33 47.69 2qrs h GLY 83 CO -0.13 0.03 0.57 0.00 0.00 0.00 0.00 176.54 177.01 2qrs h ALA 84 N 0.65 2.16 -0.50 3.60 0.00 -0.76 -1.13 119.26 123.29 2qrs h ALA 84 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qrs h ALA 84 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qrs h ALA 84 CO 0.00 -0.42 0.00 0.66 0.00 0.00 0.00 179.25 179.49 2qrs n TYR 85 N -4.50 0.66 -3.67 0.00 4.02 0.29 -0.23 117.16 113.73 2qrs n TYR 85 Ca 0.18 -0.48 -0.28 0.00 -0.01 0.00 0.00 57.90 57.31 2qrs n TYR 85 Cb 0.64 -0.01 0.04 0.00 -0.02 0.00 0.00 39.34 39.98 2qrs n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2qrs n ASN 86 N 1.01 -4.51 -4.54 7.72 5.15 -0.18 -4.83 115.26 115.08 2qrs n ASN 86 Ca 0.17 -0.97 -0.27 0.00 -0.60 0.00 0.00 54.58 52.91 2qrs n ASN 86 Cb 0.51 -3.60 -0.10 0.00 -0.53 0.00 0.00 39.78 36.06 2qrs n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2qrs s GLN 87 N -5.88 1.96 0.64 1.20 -0.21 0.11 -5.04 119.66 112.43 2qrs s GLN 87 Ca 0.38 -1.30 -0.18 0.00 0.02 0.00 0.00 55.36 54.28 2qrs s GLN 87 Cb -0.12 -2.11 -0.02 0.00 1.00 0.00 0.00 33.01 31.76 2qrs s GLN 87 CO 0.85 0.43 1.29 0.45 -2.12 0.00 0.00 175.29 176.19 2qrs n SER 88 N 0.15 2.08 0.00 5.90 2.88 -1.26 -4.74 113.62 118.63 2qrs n SER 88 Ca -0.11 0.84 0.14 0.00 -1.33 0.00 0.00 58.87 58.41 2qrs n SER 88 Cb 0.55 -1.55 0.65 0.00 -0.75 0.00 0.00 64.21 63.11 2qrs n SER 88 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qrs n LYS 89 N -1.76 0.12 0.00 -1.46 5.02 -1.26 -3.17 118.16 115.65 2qrs n LYS 89 Ca 0.15 0.01 0.13 0.00 -2.02 0.00 0.00 58.31 56.58 2qrs n LYS 89 Cb 0.48 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 34.26 2qrs n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qrs n GLY 90 N 1.40 0.29 3.91 0.72 0.00 -1.26 -4.78 105.19 105.46 2qrs n GLY 90 Ca 0.09 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 2qrs n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qrs s GLY 91 N -2.13 1.98 0.02 -0.02 0.00 -1.19 -4.71 107.32 101.28 2qrs s GLY 91 Ca 0.30 -0.64 -0.17 0.00 0.00 0.00 0.00 44.72 44.21 2qrs s GLY 91 CO 0.38 -0.57 0.49 -0.45 0.00 0.00 0.00 173.10 172.95 2qrs s SER 92 N -2.88 6.92 0.06 1.64 0.15 -1.26 -4.63 113.70 113.70 2qrs s SER 92 Ca 0.41 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2qrs s SER 92 Cb -0.11 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 2qrs s SER 92 CO 0.27 0.28 -0.04 -1.00 1.20 0.00 0.00 173.24 173.95 2qrs s HIS 93 N -0.96 0.63 -0.03 3.44 3.76 -1.26 -4.96 115.29 115.92 2qrs s HIS 93 Ca 0.26 -0.97 0.03 0.00 -0.15 0.00 0.00 55.06 54.23 2qrs s HIS 93 Cb -0.18 -0.42 -0.00 0.00 1.11 0.00 0.00 32.58 33.09 2qrs s HIS 93 CO 0.16 -0.28 -0.12 0.99 -0.85 0.00 0.00 174.74 174.63 2qrs s THR 94 N -3.61 1.01 -0.10 1.30 2.01 -1.26 -1.20 115.64 113.79 2qrs s THR 94 Ca 0.07 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.60 2qrs s THR 94 Cb 0.06 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.68 2qrs s THR 94 CO -0.07 0.30 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.33 2qrs s ILE 95 N 0.08 2.49 0.14 1.82 1.01 -0.35 0.46 121.20 126.85 2qrs s ILE 95 Ca -0.02 -0.87 0.07 0.00 0.00 0.00 0.00 60.65 59.82 2qrs s ILE 95 Cb -0.09 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2qrs s ILE 95 CO 0.01 0.55 -0.16 -1.10 0.00 0.00 0.00 174.94 174.24 2qrs s GLN 96 N 0.22 1.14 -0.06 2.79 -0.21 -0.30 -1.18 119.66 122.05 2qrs s GLN 96 Ca -0.12 -1.33 -0.08 0.00 0.02 0.00 0.00 55.36 53.85 2qrs s GLN 96 Cb -0.16 -1.07 0.02 0.00 1.00 0.00 0.00 33.01 32.79 2qrs s GLN 96 CO 0.07 0.21 0.20 0.08 -2.12 0.00 0.00 175.29 173.73 2qrs s VAL 97 N -2.18 0.02 -0.17 1.09 1.01 -0.64 -1.25 120.40 118.29 2qrs s VAL 97 Ca 0.12 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2qrs s VAL 97 Cb -0.05 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.02 2qrs s VAL 97 CO 0.04 -0.07 -0.14 -0.63 0.00 0.00 0.00 175.10 174.30 2qrs s ILE 98 N -0.20 1.69 -0.03 2.22 1.01 0.09 -0.81 121.20 125.16 2qrs s ILE 98 Ca -0.03 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2qrs s ILE 98 Cb -0.03 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.85 2qrs s ILE 98 CO 0.01 0.41 -0.05 -0.55 0.00 0.00 0.00 174.94 174.76 2qrs s SER 99 N 1.43 0.87 0.00 3.58 0.15 -0.58 -0.66 113.70 118.48 2qrs s SER 99 Ca 0.04 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2qrs s SER 99 Cb -0.14 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2qrs s SER 99 CO -0.11 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2qrs n GLY 100 N 3.74 -2.01 3.07 9.45 0.00 -0.12 -0.09 105.19 119.24 2qrs n GLY 100 Ca -0.23 -1.23 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 2qrs n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrs s GLU 102 N -0.54 3.56 0.05 0.00 2.12 0.41 -1.13 118.70 123.16 2qrs s GLU 102 Ca 0.03 -0.57 0.09 0.00 0.36 0.00 0.00 54.97 54.88 2qrs s GLU 102 Cb -0.05 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 2qrs s GLU 102 CO 0.00 0.15 -0.25 0.08 -0.54 0.00 0.00 175.26 174.69 2qrs s VAL 103 N 0.59 2.05 0.95 3.70 1.01 0.78 -0.30 120.40 129.17 2qrs s VAL 103 Ca -0.04 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.45 2qrs s VAL 103 Cb -0.15 -1.76 0.16 0.00 0.00 0.00 0.00 36.38 34.64 2qrs s VAL 103 CO 0.03 0.33 1.18 -0.83 0.00 0.00 0.00 175.10 175.81 2qrs s GLY 104 N -1.23 1.62 0.59 4.51 0.00 0.12 -1.43 107.32 111.50 2qrs s GLY 104 Ca 0.11 -0.73 0.36 0.00 0.00 0.00 0.00 44.72 44.45 2qrs s GLY 104 CO 0.02 -0.10 2.17 1.48 0.00 0.00 0.00 173.10 176.67 2qrs h SER 105 N -1.62 0.00 0.04 1.64 4.64 -1.89 -0.22 113.55 116.15 2qrs h SER 105 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2qrs h SER 105 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2qrs h SER 105 CO 0.54 0.04 -0.02 -0.90 -0.87 0.00 0.00 176.83 175.62 2qrs n ASP 106 N -3.29 0.74 0.00 4.97 5.68 -1.26 -4.90 116.55 118.48 2qrs n ASP 106 Ca -0.02 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 2qrs n ASP 106 Cb 0.19 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 2qrs n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qrs n GLY 107 N 1.12 1.11 3.82 6.12 0.00 -0.09 -5.05 105.19 112.21 2qrs n GLY 107 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2qrs n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qrs s ARG 108 N -0.53 4.24 0.17 1.61 0.52 -1.26 -4.70 118.95 119.00 2qrs s ARG 108 Ca 0.00 0.96 -0.31 0.00 -0.52 0.00 0.00 55.73 55.85 2qrs s ARG 108 Cb 0.00 -2.59 -0.10 0.00 0.52 0.00 0.00 34.95 32.78 2qrs s ARG 108 CO 0.00 0.22 1.56 -1.17 0.02 0.00 0.00 175.30 175.93 2qrs s LEU 109 N -2.53 4.37 -0.16 2.53 2.96 -1.26 0.15 118.68 124.74 2qrs s LEU 109 Ca 0.52 2.62 0.07 0.00 -0.22 0.00 0.00 54.13 57.11 2qrs s LEU 109 Cb -0.14 -3.59 -0.15 0.00 0.50 0.00 0.00 46.19 42.81 2qrs s LEU 109 CO 0.19 -0.82 -0.06 0.18 -1.32 0.00 0.00 176.35 174.52 2qrs n LEU 110 N 3.89 1.50 -3.65 -0.68 4.77 0.59 -4.83 117.00 118.59 2qrs n LEU 110 Ca 0.13 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 2qrs n LEU 110 Cb 0.39 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2qrs n LEU 110 CO 0.61 0.59 0.36 -0.60 -1.33 0.00 0.00 177.39 177.02 2qrs s ARG 111 N -2.36 0.77 0.08 3.23 3.52 -0.97 -5.00 118.95 118.21 2qrs s ARG 111 Ca -0.16 0.95 0.06 0.00 -0.13 0.00 0.00 55.73 56.45 2qrs s ARG 111 Cb 0.05 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.76 2qrs s ARG 111 CO 0.51 -0.10 -0.10 0.20 -0.81 0.00 0.00 175.30 175.00 2qrs s GLY 112 N 0.46 1.77 -0.01 8.12 0.00 -1.26 -0.45 107.32 115.96 2qrs s GLY 112 Ca -0.01 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.53 2qrs s GLY 112 CO -0.01 -1.15 -0.07 -0.19 0.00 0.00 0.00 173.10 171.68 2qrs s TYR 113 N -1.16 0.63 -0.45 1.90 1.51 0.14 -4.88 117.35 115.05 2qrs s TYR 113 Ca 0.20 -0.12 0.07 0.00 -1.01 0.00 0.00 57.07 56.20 2qrs s TYR 113 Cb -0.11 -0.42 0.18 0.00 -0.11 0.00 0.00 41.96 41.50 2qrs s TYR 113 CO 0.12 -0.03 0.61 -1.14 -1.11 0.00 0.00 175.55 174.00 2qrs s GLN 114 N -0.05 0.91 -0.02 -0.62 2.00 -1.22 -0.94 119.66 119.71 2qrs s GLN 114 Ca 0.01 -0.84 0.07 0.00 -2.00 0.00 0.00 55.36 52.60 2qrs s GLN 114 Cb -0.04 -0.21 -0.02 0.00 0.80 0.00 0.00 33.01 33.55 2qrs s GLN 114 CO -0.00 -1.27 -0.22 1.14 -0.50 0.00 0.00 175.29 174.44 2qrs s GLN 115 N 1.23 1.88 0.11 1.67 -2.07 0.16 -1.58 119.66 121.07 2qrs s GLN 115 Ca 0.23 -0.80 0.09 0.00 -1.82 0.00 0.00 55.36 53.06 2qrs s GLN 115 Cb -0.03 -1.79 -0.04 0.00 -1.09 0.00 0.00 33.01 30.06 2qrs s GLN 115 CO -0.07 0.47 -0.19 0.71 -1.32 0.00 0.00 175.29 174.89 2qrs s TYR 116 N -0.47 2.52 0.03 9.60 1.51 0.82 -0.73 117.35 130.63 2qrs s TYR 116 Ca 0.07 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 2qrs s TYR 116 Cb -0.09 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 2qrs s TYR 116 CO -0.00 0.37 -0.06 0.00 -1.11 0.00 0.00 175.55 174.74 2qrs s ALA 117 N -1.12 0.46 -0.10 3.71 0.00 -0.38 -0.24 121.76 124.09 2qrs s ALA 117 Ca 0.17 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2qrs s ALA 117 Cb -0.11 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2qrs s ALA 117 CO 0.09 -0.03 -0.17 -0.47 0.00 0.00 0.00 175.76 175.18 2qrs s TYR 118 N -1.23 2.03 -1.70 0.00 5.04 -0.22 -1.15 117.35 120.12 2qrs s TYR 118 Ca -0.10 -0.90 -0.18 0.00 -2.44 0.00 0.00 57.07 53.46 2qrs s TYR 118 Cb -0.09 -1.43 0.15 0.00 0.35 0.00 0.00 41.96 40.94 2qrs s TYR 118 CO 0.00 -0.43 0.74 -0.25 -1.34 0.00 0.00 175.55 174.27 2qrs n ASP 119 N 3.96 -2.98 0.00 4.32 8.00 0.17 -1.72 116.55 128.31 2qrs n ASP 119 Ca -0.20 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.27 2qrs n ASP 119 Cb 0.52 -2.67 0.00 0.00 -0.02 0.00 0.00 41.12 38.95 2qrs n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qrs n GLY 120 N -1.42 0.87 3.40 0.44 0.00 -1.26 -4.50 105.19 102.72 2qrs n GLY 120 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2qrs n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrs n ASP 122 N 1.99 1.44 0.02 0.00 8.00 -1.25 -1.05 116.55 125.70 2qrs n ASP 122 Ca -0.16 1.17 -0.01 0.00 0.71 0.00 0.00 54.79 56.49 2qrs n ASP 122 Cb 0.52 -1.28 -0.00 0.00 -0.02 0.00 0.00 41.12 40.33 2qrs n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qrs n TYR 123 N 0.66 0.00 -3.73 1.24 9.36 0.67 -3.65 117.16 121.72 2qrs n TYR 123 Ca 0.11 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.20 2qrs n TYR 123 Cb 0.30 -0.06 -0.08 0.00 -0.63 0.00 0.00 39.34 38.88 2qrs n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2qrs s ILE 124 N -1.79 0.06 -0.06 2.97 2.07 -1.16 -0.15 121.20 123.15 2qrs s ILE 124 Ca -0.03 -0.49 -0.17 0.00 -1.41 0.00 0.00 60.65 58.54 2qrs s ILE 124 Cb 0.00 -0.77 0.04 0.00 0.13 0.00 0.00 42.46 41.86 2qrs s ILE 124 CO 0.05 -0.27 0.40 0.00 -1.91 0.00 0.00 174.94 173.21 2qrs s ALA 125 N -1.77 -1.01 0.02 1.50 0.00 -0.74 -0.13 121.76 119.63 2qrs s ALA 125 Ca -0.10 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 2qrs s ALA 125 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2qrs s ALA 125 CO 0.02 -0.26 0.96 -1.17 0.00 0.00 0.00 175.76 175.30 2qrs s LEU 126 N -0.92 4.40 0.80 0.00 2.96 -0.61 -1.37 118.68 123.94 2qrs s LEU 126 Ca -0.10 1.66 -0.11 0.00 -0.22 0.00 0.00 54.13 55.36 2qrs s LEU 126 Cb -0.04 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.18 2qrs s LEU 126 CO 0.04 -0.21 1.09 0.20 -1.32 0.00 0.00 176.35 176.16 2qrs s ASN 127 N 0.76 4.38 0.62 3.68 0.01 0.22 -4.68 114.94 119.93 2qrs s ASN 127 Ca 0.50 1.43 0.30 0.00 -0.71 0.00 0.00 52.86 54.38 2qrs s ASN 127 Cb -0.21 -2.17 1.65 0.00 0.41 0.00 0.00 41.25 40.93 2qrs s ASN 127 CO 0.28 -2.05 2.01 -0.33 -1.51 0.00 0.00 177.10 175.49 2qrs h GLU 128 N -1.15 0.00 0.00 -0.60 5.08 -1.89 0.77 114.58 116.79 2qrs h GLU 128 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2qrs h GLU 128 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2qrs h GLU 128 CO 0.57 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.18 2qrs n ASP 129 N -3.47 0.00 -2.02 1.42 5.68 -1.26 -4.87 116.55 112.03 2qrs n ASP 129 Ca 0.02 0.10 -0.16 0.00 -0.50 0.00 0.00 54.79 54.25 2qrs n ASP 129 Cb 0.43 -0.34 -0.03 0.00 -1.14 0.00 0.00 41.12 40.04 2qrs n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qrs n LEU 130 N -1.34 -1.33 0.00 -2.12 4.77 0.26 -4.74 117.00 112.51 2qrs n LEU 130 Ca 0.09 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2qrs n LEU 130 Cb 0.19 -2.39 0.00 0.00 -2.33 0.00 0.00 43.42 38.90 2qrs n LEU 130 CO 0.18 -0.44 -0.23 0.29 -1.33 0.00 0.00 177.39 175.86 2qrs n LYS 131 N -2.54 2.12 -4.49 3.23 5.02 -1.26 -4.59 118.16 115.66 2qrs n LYS 131 Ca -0.17 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.87 2qrs n LYS 131 Cb 0.59 -0.73 -0.10 0.00 -0.02 0.00 0.00 35.03 34.77 2qrs n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qrs s THR 132 N -1.34 2.33 0.16 -0.18 -4.23 -1.26 -4.83 115.64 106.28 2qrs s THR 132 Ca 0.00 -2.32 0.10 0.00 -1.18 0.00 0.00 61.69 58.29 2qrs s THR 132 Cb 0.00 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 2qrs s THR 132 CO 0.00 -0.34 -0.22 0.26 -0.54 0.00 0.00 174.62 173.78 2qrs s TRP 133 N -2.59 2.40 -0.23 3.99 0.52 -1.26 -0.61 118.94 121.16 2qrs s TRP 133 Ca 0.30 -0.32 0.00 0.00 0.02 0.00 0.00 56.10 56.10 2qrs s TRP 133 Cb -0.02 -1.23 0.03 0.00 -1.15 0.00 0.00 33.47 31.10 2qrs s TRP 133 CO 0.15 0.43 -0.12 0.99 0.02 0.00 0.00 176.95 178.43 2qrs s THR 134 N -1.40 2.44 0.08 2.01 2.01 -0.47 -4.92 115.64 115.39 2qrs s THR 134 Ca 0.19 -1.16 -0.10 0.00 0.31 0.00 0.00 61.69 60.93 2qrs s THR 134 Cb -0.09 -2.22 -0.06 0.00 0.01 0.00 0.00 72.50 70.14 2qrs s THR 134 CO 0.10 0.25 0.41 0.00 -0.69 0.00 0.00 174.62 174.68 2qrs s ALA 135 N 1.26 3.71 -0.13 7.40 0.00 -1.26 -1.79 121.76 130.95 2qrs s ALA 135 Ca -0.01 -0.35 0.21 0.00 0.00 0.00 0.00 51.96 51.81 2qrs s ALA 135 Cb -0.16 -2.30 -0.20 0.00 0.00 0.00 0.00 23.12 20.46 2qrs s ALA 135 CO -0.07 0.55 0.65 0.00 0.00 0.00 0.00 175.76 176.89 2qrs n ALA 136 N 0.94 2.40 -3.61 0.00 0.00 0.79 -4.98 120.51 116.05 2qrs n ALA 136 Ca -0.08 -0.55 -0.08 0.00 0.00 0.00 0.00 53.44 52.73 2qrs n ALA 136 Cb 0.52 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 2qrs n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qrs n ASP 137 N -2.56 -0.83 -0.25 0.00 5.68 -1.26 -4.65 116.55 112.68 2qrs n ASP 137 Ca -0.08 -2.13 -0.07 0.00 -0.50 0.00 0.00 54.79 52.01 2qrs n ASP 137 Cb 0.69 1.54 0.04 0.00 -1.14 0.00 0.00 41.12 42.26 2qrs n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2qrs h MET 138 N 0.00 1.09 -0.64 0.11 2.86 -1.90 -2.64 114.93 113.80 2qrs h MET 138 Ca -0.16 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.22 2qrs h MET 138 Cb 0.71 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 2qrs h MET 138 CO 0.22 0.96 0.38 0.00 1.06 0.00 0.00 176.91 179.53 2qrs h ALA 139 N 1.08 0.82 0.00 6.32 0.00 -1.82 -1.76 119.26 123.90 2qrs h ALA 139 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2qrs h ALA 139 Cb 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qrs h ALA 139 CO -0.00 0.30 -0.06 0.00 0.00 0.00 0.00 179.25 179.48 2qrs h ALA 140 N 1.20 1.20 -0.51 0.00 0.00 -1.79 -2.01 119.26 117.34 2qrs h ALA 140 Ca 0.23 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2qrs h ALA 140 Cb -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2qrs h ALA 140 CO -0.04 0.08 0.02 -0.07 0.00 0.00 0.00 179.25 179.23 2qrs h LEU 141 N 0.00 0.82 -0.78 0.00 3.38 -0.97 0.59 115.31 118.35 2qrs h LEU 141 Ca -0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2qrs h LEU 141 Cb 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2qrs h LEU 141 CO 0.01 0.87 0.43 0.40 0.09 0.00 0.00 178.44 180.24 2qrs h ILE 142 N 0.80 1.23 -0.47 1.22 1.08 -1.33 -1.44 117.51 118.60 2qrs h ILE 142 Ca 0.15 -0.57 -0.11 0.00 -0.39 0.00 0.00 64.86 63.94 2qrs h ILE 142 Cb 0.45 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2qrs h ILE 142 CO 0.02 0.26 -0.14 0.74 -0.69 0.00 0.00 178.15 178.33 2qrs h THR 143 N 1.08 1.27 -0.42 -0.27 2.02 -1.39 -2.33 112.91 112.88 2qrs h THR 143 Ca 0.28 -1.28 0.04 0.00 0.77 0.00 0.00 66.41 66.21 2qrs h THR 143 Cb 0.03 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2qrs h THR 143 CO -0.05 0.44 0.18 0.50 0.37 0.00 0.00 175.52 176.97 2qrs h LYS 144 N 0.77 0.37 -0.27 6.66 3.64 -0.53 -0.07 116.57 127.14 2qrs h LYS 144 Ca 0.11 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 2qrs h LYS 144 Cb 0.70 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2qrs h LYS 144 CO 0.05 0.24 -0.30 0.45 -2.27 0.00 0.00 179.45 177.62 2qrs h HIS 145 N 0.38 0.63 0.07 1.91 3.86 -1.21 0.42 115.15 121.20 2qrs h HIS 145 Ca 0.18 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2qrs h HIS 145 Cb 0.12 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2qrs h HIS 145 CO -0.12 0.79 -0.03 -0.22 0.86 0.00 0.00 177.93 179.21 2qrs h LYS 146 N 0.47 -0.09 -0.34 2.45 3.64 -1.03 -1.32 116.57 120.34 2qrs h LYS 146 Ca 0.06 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2qrs h LYS 146 Cb 0.76 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2qrs h LYS 146 CO 0.06 0.11 -0.01 -1.49 -2.27 0.00 0.00 179.45 175.85 2qrs h TRP 147 N -0.28 0.56 -0.13 1.91 4.06 -0.87 -0.43 115.95 120.78 2qrs h TRP 147 Ca -0.01 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 60.86 2qrs h TRP 147 Cb 0.24 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.24 2qrs h TRP 147 CO -0.01 0.55 -0.03 0.93 -3.56 0.00 0.00 178.44 176.32 2qrs h GLU 148 N 0.51 0.24 -0.49 0.49 5.08 -0.82 0.15 114.58 119.75 2qrs h GLU 148 Ca 0.11 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2qrs h GLU 148 Cb 0.34 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2qrs h GLU 148 CO 0.01 0.53 0.26 1.96 -1.00 0.00 0.00 179.01 180.78 2qrs h GLN 149 N -0.07 0.66 -0.01 2.33 1.08 -0.85 -2.50 115.11 115.75 2qrs h GLN 149 Ca 0.03 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2qrs h GLN 149 Cb 0.44 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2qrs h GLN 149 CO 0.01 0.49 -0.17 0.00 -0.95 0.00 0.00 178.83 178.21 2qrs n ALA 150 N -2.46 2.90 -2.16 3.87 0.00 -0.20 -4.94 120.51 117.51 2qrs n ALA 150 Ca 0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 53.44 52.97 2qrs n ALA 150 Cb 0.10 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 2qrs n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qrs n GLY 151 N 1.29 0.02 0.36 0.00 0.00 -0.29 -4.93 105.19 101.64 2qrs n GLY 151 Ca 0.14 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.72 2qrs n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qrs h GLU 152 N -0.01 0.77 -0.68 1.61 4.57 -1.04 -1.91 114.58 117.89 2qrs h GLU 152 Ca -0.20 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 2qrs h GLU 152 Cb 1.15 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 2qrs h GLU 152 CO 0.24 0.51 0.40 0.00 -1.18 0.00 0.00 179.01 178.97 2qrs h ALA 153 N 1.58 0.87 -0.14 2.92 0.00 -1.88 -1.14 119.26 121.45 2qrs h ALA 153 Ca 0.39 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.23 2qrs h ALA 153 Cb 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2qrs h ALA 153 CO -0.16 0.36 0.04 1.49 0.00 0.00 0.00 179.25 180.98 2qrs h GLU 154 N 0.93 0.11 -0.84 0.00 4.81 -1.61 0.18 114.58 118.15 2qrs h GLU 154 Ca 0.24 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2qrs h GLU 154 Cb -0.00 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 2qrs h GLU 154 CO -0.04 0.07 0.52 -0.09 -0.73 0.00 0.00 179.01 178.73 2qrs h ARG 155 N 0.11 0.90 -0.22 1.92 2.43 -1.08 -2.21 114.38 116.23 2qrs h ARG 155 Ca 0.06 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 2qrs h ARG 155 Cb 0.04 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2qrs h ARG 155 CO -0.07 0.60 -0.66 -0.07 -1.51 0.00 0.00 179.97 178.25 2qrs h LEU 156 N 0.93 0.94 -0.92 3.80 3.38 -0.62 -2.58 115.31 120.23 2qrs h LEU 156 Ca 0.37 -0.56 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2qrs h LEU 156 Cb 0.20 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2qrs h LEU 156 CO -0.18 1.35 0.59 -0.09 0.09 0.00 0.00 178.44 180.20 2qrs h ARG 157 N 0.59 1.09 -0.18 1.13 2.43 -0.26 0.18 114.38 119.37 2qrs h ARG 157 Ca -0.02 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2qrs h ARG 157 Cb 1.28 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2qrs h ARG 157 CO 0.14 0.72 0.10 0.00 -1.51 0.00 0.00 179.97 179.42 2qrs h ALA 158 N 1.40 0.23 -0.32 2.80 0.00 -1.31 -0.41 119.26 121.64 2qrs h ALA 158 Ca 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2qrs h ALA 158 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2qrs h ALA 158 CO -0.14 -0.23 0.16 -0.92 0.00 0.00 0.00 179.25 178.12 2qrs h TYR 159 N 0.19 0.46 -0.50 0.00 3.20 -1.01 -1.67 116.97 117.64 2qrs h TYR 159 Ca 0.06 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 2qrs h TYR 159 Cb 0.08 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2qrs h TYR 159 CO -0.04 0.40 0.03 -0.07 -1.64 0.00 0.00 178.16 176.84 2qrs h LEU 160 N 0.39 0.85 -0.27 2.82 3.38 -0.52 0.45 115.31 122.40 2qrs h LEU 160 Ca 0.11 -0.29 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 2qrs h LEU 160 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2qrs h LEU 160 CO -0.02 0.93 -0.73 -0.33 0.09 0.00 0.00 178.44 178.39 2qrs h GLU 161 N 0.74 0.00 0.00 1.13 5.08 -1.07 -3.34 114.58 117.12 2qrs h GLU 161 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2qrs h GLU 161 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2qrs h GLU 161 CO 0.02 0.73 0.00 0.41 -1.00 0.00 0.00 179.01 179.17 2qrs n GLY 162 N 0.96 0.16 0.39 -3.84 0.00 -0.63 -4.65 105.19 97.58 2qrs n GLY 162 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2qrs n GLY 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qrs n THR 163 N -0.73 -0.56 -0.07 2.61 -1.04 -0.99 -0.81 114.28 112.70 2qrs n THR 163 Ca 0.00 2.31 -0.07 0.00 -2.04 0.00 0.00 64.05 64.25 2qrs n THR 163 Cb 0.00 -3.00 -0.00 0.00 -1.82 0.00 0.00 70.33 65.51 2qrs n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qrs h VAL 165 N 0.19 1.24 -0.82 0.00 2.07 -1.36 -0.83 116.25 116.73 2qrs h VAL 165 Ca 0.13 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2qrs h VAL 165 Cb 0.12 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2qrs h VAL 165 CO -0.15 0.30 0.48 -0.33 0.02 0.00 0.00 177.57 177.89 2qrs h GLU 166 N 0.74 1.12 -0.24 1.57 5.08 -0.62 -1.53 114.58 120.71 2qrs h GLU 166 Ca 0.17 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2qrs h GLU 166 Cb 0.30 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2qrs h GLU 166 CO -0.00 0.80 -0.40 -1.49 -1.00 0.00 0.00 179.01 176.92 2qrs h TRP 167 N 1.13 0.65 -0.33 4.33 4.06 -0.71 -2.31 115.95 122.77 2qrs h TRP 167 Ca 0.29 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 61.06 2qrs h TRP 167 Cb -0.03 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 27.98 2qrs h TRP 167 CO -0.00 0.86 0.21 1.25 -3.56 0.00 0.00 178.44 177.20 2qrs h LEU 168 N 0.45 0.39 0.04 -4.49 5.85 -0.30 -0.76 115.31 116.49 2qrs h LEU 168 Ca 0.04 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2qrs h LEU 168 Cb 0.89 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2qrs h LEU 168 CO 0.08 0.31 -0.16 0.03 -0.34 0.00 0.00 178.44 178.35 2qrs h ARG 169 N 0.44 -0.27 -0.62 1.25 3.08 -1.25 0.22 114.38 117.23 2qrs h ARG 169 Ca 0.12 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.31 2qrs h ARG 169 Cb -0.02 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 29.97 2qrs h ARG 169 CO -0.02 -0.18 -0.24 -0.09 -1.07 0.00 0.00 179.97 178.37 2qrs h ARG 170 N -0.28 -0.07 -0.27 0.04 9.65 -1.02 0.26 114.38 122.69 2qrs h ARG 170 Ca 0.04 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 2qrs h ARG 170 Cb 0.33 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 2qrs h ARG 170 CO -0.13 -0.05 0.09 1.88 2.80 0.00 0.00 179.97 184.56 2qrs h TYR 171 N -0.08 0.43 -0.46 2.20 0.05 -0.48 -2.39 116.97 116.24 2qrs h TYR 171 Ca 0.28 -0.04 0.11 0.00 0.05 0.00 0.00 58.73 59.12 2qrs h TYR 171 Cb 0.51 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 2qrs h TYR 171 CO -0.57 0.46 0.32 -0.07 -1.05 0.00 0.00 178.16 177.25 2qrs h LEU 172 N 0.27 0.14 -0.62 3.88 3.38 0.40 0.88 115.31 123.64 2qrs h LEU 172 Ca 0.09 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2qrs h LEU 172 Cb 0.23 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2qrs h LEU 172 CO -0.00 0.08 0.34 0.11 0.09 0.00 0.00 178.44 179.06 2qrs h LYS 173 N 0.15 0.63 -0.02 1.13 1.79 -0.45 0.24 116.57 120.04 2qrs h LYS 173 Ca 0.22 -0.04 -0.23 0.00 -2.18 0.00 0.00 60.65 58.42 2qrs h LYS 173 Cb 0.66 -0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.17 2qrs h LYS 173 CO -0.03 0.41 -0.92 -0.91 -1.08 0.00 0.00 179.45 176.92 2qrs h ASN 174 N 0.64 0.64 0.00 0.86 2.35 -0.90 -3.41 115.58 115.75 2qrs h ASN 174 Ca 0.27 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2qrs h ASN 174 Cb 0.15 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2qrs h ASN 174 CO -0.17 1.28 -0.13 0.61 -1.65 0.00 0.00 177.43 177.38 2qrs n GLY 175 N 0.91 1.35 0.28 2.83 0.00 -0.10 -4.81 105.19 105.65 2qrs n GLY 175 Ca -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 2qrs n GLY 175 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2qrs h ASN 176 N 0.00 0.63 -0.47 1.61 -0.00 -0.74 0.17 115.58 116.79 2qrs h ASN 176 Ca 0.00 0.03 0.02 0.00 -0.00 0.00 0.00 56.30 56.35 2qrs h ASN 176 Cb 0.99 -0.10 -0.03 0.00 -0.00 0.00 0.00 38.32 39.17 2qrs h ASN 176 CO 0.00 0.40 0.27 0.00 -0.00 0.00 0.00 177.43 178.11 2qrs h ALA 177 N 1.37 0.59 -0.39 1.57 0.00 -1.87 -1.04 119.26 119.49 2qrs h ALA 177 Ca 0.32 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2qrs h ALA 177 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qrs h ALA 177 CO -0.18 -0.04 0.04 1.15 0.00 0.00 0.00 179.25 180.22 2qrs h THR 178 N 0.55 1.25 0.00 0.00 2.02 -1.71 -2.76 112.91 112.26 2qrs h THR 178 Ca 0.19 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 2qrs h THR 178 Cb 0.02 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2qrs h THR 178 CO -0.09 0.31 -0.06 -0.07 0.37 0.00 0.00 175.52 175.98 2qrs h LEU 179 N 0.50 0.00 -0.41 2.58 3.38 -0.10 -2.21 115.31 119.05 2qrs h LEU 179 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2qrs h LEU 179 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2qrs h LEU 179 CO 0.01 0.06 -0.14 0.18 0.09 0.00 0.00 178.44 178.64 2qrs n LEU 180 N -4.11 0.77 -4.76 1.67 7.99 -0.45 -4.92 117.00 113.19 2qrs n LEU 180 Ca -0.03 -0.15 -0.35 0.00 -0.01 0.00 0.00 56.01 55.47 2qrs n LEU 180 Cb 0.14 -0.13 0.03 0.00 -0.11 0.00 0.00 43.42 43.36 2qrs n LEU 180 CO 0.32 0.14 0.80 0.00 -1.51 0.00 0.00 177.39 177.14 2qrs s ARG 181 N -2.40 2.99 0.02 3.23 1.70 -0.83 -5.04 118.95 118.62 2qrs s ARG 181 Ca 0.29 1.68 0.00 0.00 -0.47 0.00 0.00 55.73 57.24 2qrs s ARG 181 Cb 0.20 -1.95 -0.02 0.00 -0.57 0.00 0.00 34.95 32.61 2qrs s ARG 181 CO 0.47 -1.16 -0.04 0.95 -1.08 0.00 0.00 175.30 174.44 2qrs s THR 182 N -1.81 0.17 -0.15 4.99 -4.23 -1.26 -4.53 115.64 108.83 2qrs s THR 182 Ca 0.74 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 2qrs s THR 182 Cb -0.27 -0.34 0.03 0.00 1.34 0.00 0.00 72.50 73.26 2qrs s THR 182 CO 0.34 -0.50 -0.10 -1.81 -0.54 0.00 0.00 174.62 172.01 2qrs s ASP 183 N -1.52 2.66 0.40 3.99 1.01 0.10 -4.94 116.67 118.38 2qrs s ASP 183 Ca -0.15 -0.52 -0.25 0.00 0.71 0.00 0.00 52.55 52.34 2qrs s ASP 183 Cb -0.10 -1.04 -0.08 0.00 1.01 0.00 0.00 42.92 42.71 2qrs s ASP 183 CO -0.01 -0.11 1.17 -0.44 0.21 0.00 0.00 175.17 175.99 2qrs s SER 184 N 1.56 6.49 0.49 0.27 0.01 -1.26 -1.24 113.70 120.02 2qrs s SER 184 Ca 0.03 2.35 -0.22 0.00 1.31 0.00 0.00 55.95 59.43 2qrs s SER 184 Cb -0.14 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.41 2qrs s SER 184 CO -0.09 -0.70 1.14 -2.16 0.41 0.00 0.00 173.24 171.84 2qrs s PRO 185 N -2.33 3.63 -0.21 12.44 0.04 -1.26 -4.42 135.00 142.89 2qrs s PRO 185 Ca 0.58 1.69 -0.07 0.00 0.04 0.00 0.00 61.00 63.23 2qrs s PRO 185 Cb -0.31 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 2qrs s PRO 185 CO 0.39 -0.64 0.05 0.15 0.04 0.00 0.00 177.00 176.99 2qrs s LYS 186 N -2.93 3.79 0.17 4.56 1.02 0.17 -4.86 119.74 121.67 2qrs s LYS 186 Ca 0.67 -0.43 0.09 0.00 0.02 0.00 0.00 55.97 56.32 2qrs s LYS 186 Cb -0.26 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2qrs s LYS 186 CO 0.31 0.06 -0.20 0.00 -0.92 0.00 0.00 175.35 174.60 2qrs s ALA 187 N 0.95 2.12 0.14 5.17 0.00 -1.26 -0.63 121.76 128.25 2qrs s ALA 187 Ca 0.03 -1.52 -0.25 0.00 0.00 0.00 0.00 51.96 50.23 2qrs s ALA 187 Cb -0.14 -0.22 0.07 0.00 0.00 0.00 0.00 23.12 22.83 2qrs s ALA 187 CO 0.03 0.28 0.78 -3.38 0.00 0.00 0.00 175.76 173.47 2qrs s HIS 188 N -1.94 -0.33 -0.13 0.00 -3.43 -0.97 -4.99 115.29 103.51 2qrs s HIS 188 Ca 0.17 0.07 0.01 0.00 -0.80 0.00 0.00 55.06 54.50 2qrs s HIS 188 Cb -0.06 0.60 -0.01 0.00 -1.43 0.00 0.00 32.58 31.68 2qrs s HIS 188 CO 0.07 -0.84 -0.15 0.08 -2.00 0.00 0.00 174.74 171.91 2qrs s VAL 189 N -3.51 2.85 0.19 -5.38 1.01 -1.26 -0.47 120.40 113.83 2qrs s VAL 189 Ca 0.06 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2qrs s VAL 189 Cb -0.02 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2qrs s VAL 189 CO -0.05 0.53 0.10 0.42 0.00 0.00 0.00 175.10 176.10 2qrs s THR 190 N 0.37 4.20 -0.15 3.92 -4.23 0.46 -4.76 115.64 115.44 2qrs s THR 190 Ca -0.12 -1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2qrs s THR 190 Cb -0.16 -3.16 -0.01 0.00 1.34 0.00 0.00 72.50 70.51 2qrs s THR 190 CO 0.06 -0.16 -0.13 -2.28 -0.54 0.00 0.00 174.62 171.57 2qrs s HIS 191 N -1.83 2.81 0.01 3.99 2.46 -1.26 -1.53 115.29 119.94 2qrs s HIS 191 Ca 0.30 -0.89 0.03 0.00 0.47 0.00 0.00 55.06 54.97 2qrs s HIS 191 Cb -0.09 -1.90 -0.01 0.00 -0.13 0.00 0.00 32.58 30.45 2qrs s HIS 191 CO 0.22 -0.39 -0.10 -1.01 -2.47 0.00 0.00 174.74 170.99 2qrs s HIS 192 N 0.73 0.87 0.45 3.88 3.76 -0.27 -4.98 115.29 119.72 2qrs s HIS 192 Ca -0.06 -0.24 -0.21 0.00 -0.15 0.00 0.00 55.06 54.39 2qrs s HIS 192 Cb -0.15 -0.54 -0.09 0.00 1.11 0.00 0.00 32.58 32.91 2qrs s HIS 192 CO 0.01 -0.01 1.02 -1.54 -0.85 0.00 0.00 174.74 173.38 2qrs s SER 193 N -0.62 6.56 0.18 1.40 1.04 -1.26 0.22 113.70 121.22 2qrs s SER 193 Ca 0.01 1.91 0.02 0.00 0.48 0.00 0.00 55.95 58.36 2qrs s SER 193 Cb -0.05 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 2qrs s SER 193 CO 0.00 -0.63 0.01 -0.13 0.98 0.00 0.00 173.24 173.47 2qrs s ARG 194 N -3.04 1.13 0.17 4.02 0.52 -1.26 -4.72 118.95 115.77 2qrs s ARG 194 Ca 0.64 -1.55 -0.33 0.00 -0.52 0.00 0.00 55.73 53.97 2qrs s ARG 194 Cb -0.16 -0.25 -0.13 0.00 0.52 0.00 0.00 34.95 34.93 2qrs s ARG 194 CO 0.20 -0.15 1.62 -2.30 0.02 0.00 0.00 175.30 174.70 2qrs n PRO 195 N -0.25 2.32 0.00 3.54 -0.02 -1.26 -4.47 135.00 134.85 2qrs n PRO 195 Ca -0.06 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2qrs n PRO 195 Cb 0.63 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2qrs n PRO 195 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qrs n GLU 196 N 3.63 0.00 -1.55 -0.52 1.02 -1.26 -4.30 120.64 117.65 2qrs n GLU 196 Ca 0.17 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.98 2qrs n GLU 196 Cb 0.30 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.69 2qrs n GLU 196 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2qrs n ASP 197 N -3.01 2.20 -2.82 1.62 5.75 -1.26 -4.74 116.55 114.28 2qrs n ASP 197 Ca 0.00 -0.64 -0.03 0.00 -0.01 0.00 0.00 54.79 54.10 2qrs n ASP 197 Cb 0.00 -1.59 0.02 0.00 -1.03 0.00 0.00 41.12 38.52 2qrs n ASP 197 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qrs n LYS 198 N 8.96 0.61 0.00 0.11 4.76 -1.26 -4.51 118.16 126.84 2qrs n LYS 198 Ca 0.39 -1.34 0.00 0.00 -2.87 0.00 0.00 58.31 54.49 2qrs n LYS 198 Cb 0.52 1.78 0.00 0.00 -1.84 0.00 0.00 35.03 35.50 2qrs n LYS 198 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2qrs n VAL 199 N -0.57 0.00 -4.38 -0.18 0.24 -0.67 -4.01 118.33 108.77 2qrs n VAL 199 Ca -0.03 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.93 2qrs n VAL 199 Cb 0.48 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.73 2qrs n VAL 199 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2qrs s THR 200 N -1.56 3.80 -0.20 3.34 2.01 0.13 -0.91 115.64 122.26 2qrs s THR 200 Ca 0.00 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.55 2qrs s THR 200 Cb 0.00 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 2qrs s THR 200 CO 0.00 0.49 0.04 -0.76 -0.69 0.00 0.00 174.62 173.69 2qrs s LEU 201 N 0.48 3.51 -0.14 4.42 1.43 -0.43 -1.12 118.68 126.83 2qrs s LEU 201 Ca -0.04 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2qrs s LEU 201 Cb -0.14 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.19 2qrs s LEU 201 CO 0.03 0.09 -0.21 -0.60 0.23 0.00 0.00 176.35 175.89 2qrs s ARG 202 N 0.86 3.04 -0.29 1.70 3.52 -0.59 -1.30 118.95 125.89 2qrs s ARG 202 Ca 0.02 -0.84 -0.11 0.00 -0.13 0.00 0.00 55.73 54.67 2qrs s ARG 202 Cb -0.14 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 2qrs s ARG 202 CO 0.02 -0.02 0.20 0.00 -0.81 0.00 0.00 175.30 174.69 2qrs s TRP 204 N 1.74 3.35 -0.18 0.00 0.52 0.39 -1.38 118.94 123.38 2qrs s TRP 204 Ca 0.07 0.28 0.01 0.00 0.02 0.00 0.00 56.10 56.48 2qrs s TRP 204 Cb -0.16 -1.94 0.02 0.00 -1.15 0.00 0.00 33.47 30.24 2qrs s TRP 204 CO 0.10 0.46 -0.19 0.00 0.02 0.00 0.00 176.95 177.35 2qrs s ALA 205 N -0.52 2.32 0.14 0.98 0.00 -0.37 -2.28 121.76 122.02 2qrs s ALA 205 Ca 0.11 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 50.90 2qrs s ALA 205 Cb -0.12 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 2qrs s ALA 205 CO 0.02 -0.39 -0.15 -0.51 0.00 0.00 0.00 175.76 174.73 2qrs s LEU 206 N 1.29 2.43 -1.69 0.00 1.43 0.20 -1.99 118.68 120.35 2qrs s LEU 206 Ca 0.04 -0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 52.30 2qrs s LEU 206 Cb -0.13 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.46 2qrs s LEU 206 CO -0.13 -0.12 0.04 0.61 0.23 0.00 0.00 176.35 176.99 2qrs n GLY 207 N 0.39 -0.50 3.96 -3.19 0.00 -0.97 -0.66 105.19 104.23 2qrs n GLY 207 Ca -0.14 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 2qrs n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qrs s PHE 208 N -3.00 3.46 -0.28 1.61 -0.71 -1.14 -4.60 117.98 113.33 2qrs s PHE 208 Ca 0.02 0.04 -0.21 0.00 -1.04 0.00 0.00 56.93 55.74 2qrs s PHE 208 Cb -0.01 -1.61 0.08 0.00 -1.21 0.00 0.00 43.02 40.27 2qrs s PHE 208 CO 0.03 0.44 0.75 -0.47 -1.34 0.00 0.00 175.22 174.62 2qrs s TYR 209 N -1.95 -0.85 0.36 3.49 6.14 -0.37 -0.32 117.35 123.85 2qrs s TYR 209 Ca 0.35 1.90 -0.06 0.00 0.64 0.00 0.00 57.07 59.90 2qrs s TYR 209 Cb -0.09 0.41 0.09 0.00 0.42 0.00 0.00 41.96 42.78 2qrs s TYR 209 CO 0.29 -0.42 0.34 -0.35 0.64 0.00 0.00 175.55 176.05 2qrs n PRO 210 N 3.27 -1.48 0.18 4.97 -0.04 -1.26 0.01 135.00 140.65 2qrs n PRO 210 Ca -0.16 -0.53 0.03 0.00 -0.04 0.00 0.00 63.50 62.79 2qrs n PRO 210 Cb 0.57 -0.48 0.31 0.00 -0.04 0.00 0.00 33.50 33.86 2qrs n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qrs h ALA 211 N -2.18 1.14 -2.29 0.55 0.00 -1.96 -3.45 119.26 111.06 2qrs h ALA 211 Ca -0.12 -0.40 -0.57 0.00 0.00 0.00 0.00 54.91 53.82 2qrs h ALA 211 Cb 0.37 -0.07 0.04 0.00 0.00 0.00 0.00 17.79 18.13 2qrs h ALA 211 CO 0.08 0.55 1.04 -0.25 0.00 0.00 0.00 179.25 180.67 2qrs n ASP 212 N -3.82 3.64 -3.47 0.00 9.92 -1.26 -4.95 116.55 116.61 2qrs n ASP 212 Ca -0.01 1.00 -0.11 0.00 -0.53 0.00 0.00 54.79 55.13 2qrs n ASP 212 Cb 0.49 -1.46 -0.03 0.00 -0.64 0.00 0.00 41.12 39.48 2qrs n ASP 212 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2qrs s ILE 213 N 2.80 0.00 -0.05 0.53 2.07 -1.26 -4.70 121.20 120.59 2qrs s ILE 213 Ca 0.85 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.09 2qrs s ILE 213 Cb -0.59 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.02 2qrs s ILE 213 CO 0.42 0.00 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.53 2qrs s THR 214 N -3.06 0.49 -0.10 4.00 2.01 -0.95 -5.01 115.64 113.02 2qrs s THR 214 Ca 0.01 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2qrs s THR 214 Cb -0.01 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 2qrs s THR 214 CO -0.08 0.23 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.16 2qrs s LEU 215 N 1.16 2.54 0.06 4.42 1.43 -1.26 -1.52 118.68 125.51 2qrs s LEU 215 Ca -0.07 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2qrs s LEU 215 Cb -0.14 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2qrs s LEU 215 CO -0.01 0.21 -0.07 0.42 0.23 0.00 0.00 176.35 177.13 2qrs s THR 216 N 0.05 0.56 -0.06 5.49 -4.23 -0.40 -4.98 115.64 112.07 2qrs s THR 216 Ca -0.06 -1.47 0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2qrs s THR 216 Cb -0.15 -1.09 -0.02 0.00 1.34 0.00 0.00 72.50 72.59 2qrs s THR 216 CO 0.05 -0.63 -0.21 0.26 -0.54 0.00 0.00 174.62 173.55 2qrs s TRP 217 N -2.46 2.54 -0.02 3.99 0.52 -1.26 -0.47 118.94 121.78 2qrs s TRP 217 Ca -0.00 -0.53 0.06 0.00 0.02 0.00 0.00 56.10 55.65 2qrs s TRP 217 Cb -0.03 -1.62 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 2qrs s TRP 217 CO -0.02 -0.09 -0.20 -0.65 0.02 0.00 0.00 176.95 176.01 2qrs s GLN 218 N -0.31 1.71 -0.29 4.98 -0.21 0.23 0.02 119.66 125.79 2qrs s GLN 218 Ca 0.01 -0.72 -0.03 0.00 0.02 0.00 0.00 55.36 54.64 2qrs s GLN 218 Cb -0.13 -1.62 0.04 0.00 1.00 0.00 0.00 33.01 32.31 2qrs s GLN 218 CO 0.02 0.41 -0.00 -1.17 -2.12 0.00 0.00 175.29 172.44 2qrs s LEU 219 N -0.40 3.74 -1.10 2.90 2.96 -0.33 -1.75 118.68 124.69 2qrs s LEU 219 Ca 0.06 -1.10 -0.24 0.00 -0.22 0.00 0.00 54.13 52.63 2qrs s LEU 219 Cb -0.09 -1.73 0.03 0.00 0.50 0.00 0.00 46.19 44.91 2qrs s LEU 219 CO -0.00 -0.22 0.67 0.59 -1.32 0.00 0.00 176.35 176.06 2qrs n ASN 220 N 4.67 -4.45 0.00 3.68 3.02 -1.22 -1.75 115.26 119.21 2qrs n ASN 220 Ca -0.14 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 2qrs n ASN 220 Cb 0.45 -1.79 0.00 0.00 -0.61 0.00 0.00 39.78 37.82 2qrs n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrs n GLY 221 N -1.95 2.93 3.75 7.41 0.00 -1.26 -5.02 105.19 111.05 2qrs n GLY 221 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2qrs n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qrs s GLU 222 N -0.16 4.11 0.18 1.61 2.12 -0.72 -5.04 118.70 120.81 2qrs s GLU 222 Ca 0.00 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 2qrs s GLU 222 Cb 0.00 -3.39 -0.09 0.00 0.26 0.00 0.00 34.13 30.91 2qrs s GLU 222 CO 0.00 0.35 1.32 -1.21 -0.54 0.00 0.00 175.26 175.17 2qrs s GLU 223 N 0.20 4.38 0.31 4.30 2.02 -1.26 -1.19 118.70 127.46 2qrs s GLU 223 Ca 0.11 2.05 -0.13 0.00 0.02 0.00 0.00 54.97 57.02 2qrs s GLU 223 Cb -0.12 -3.21 -0.08 0.00 0.10 0.00 0.00 34.13 30.82 2qrs s GLU 223 CO 0.00 -0.27 0.70 -0.51 0.02 0.00 0.00 175.26 175.20 2qrs s LEU 224 N 0.07 4.06 0.04 1.80 1.43 0.10 -4.92 118.68 121.26 2qrs s LEU 224 Ca 0.58 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 2qrs s LEU 224 Cb -0.36 -3.99 0.00 0.00 0.03 0.00 0.00 46.19 41.87 2qrs s LEU 224 CO 0.37 -0.20 0.00 -0.38 0.23 0.00 0.00 176.35 176.37 2qrs n ILE 225 N -0.41 0.23 -0.12 -0.59 5.41 -1.26 -4.74 119.36 117.87 2qrs n ILE 225 Ca 0.03 0.08 -0.10 0.00 1.00 0.00 0.00 62.75 63.75 2qrs n ILE 225 Cb 0.53 -0.83 -0.05 0.00 -0.71 0.00 0.00 39.64 38.58 2qrs n ILE 225 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2qrs h GLN 226 N 0.00 -0.33 -0.42 0.38 4.20 -2.02 -2.80 115.11 114.12 2qrs h GLN 226 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2qrs h GLN 226 Cb 0.00 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2qrs h GLN 226 CO 0.00 -0.22 0.00 -0.25 -0.67 0.00 0.00 178.83 177.69 2qrs n ASP 227 N -5.41 1.43 -4.95 1.46 8.00 -1.26 -4.93 116.55 110.89 2qrs n ASP 227 Ca -0.01 -2.08 -0.24 0.00 0.71 0.00 0.00 54.79 53.18 2qrs n ASP 227 Cb 0.35 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 2qrs n ASP 227 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2qrs s MET 228 N -1.65 3.48 -0.05 -1.24 1.75 -1.06 -2.96 119.30 117.57 2qrs s MET 228 Ca 0.13 -0.44 -0.03 0.00 -1.25 0.00 0.00 55.69 54.11 2qrs s MET 228 Cb 0.08 -2.74 0.03 0.00 2.84 0.00 0.00 34.83 35.04 2qrs s MET 228 CO 0.07 0.25 0.12 -2.00 -0.65 0.00 0.00 175.02 172.81 2qrs s GLU 229 N -4.12 0.09 0.14 4.11 2.12 0.12 -4.97 118.70 116.18 2qrs s GLU 229 Ca 0.38 0.28 0.07 0.00 0.36 0.00 0.00 54.97 56.06 2qrs s GLU 229 Cb -0.10 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.15 2qrs s GLU 229 CO 0.33 -0.12 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.27 2qrs s LEU 230 N 0.79 2.42 0.22 2.70 1.43 -1.26 -0.41 118.68 124.57 2qrs s LEU 230 Ca -0.06 -0.83 0.09 0.00 -1.03 0.00 0.00 54.13 52.30 2qrs s LEU 230 Cb -0.08 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 2qrs s LEU 230 CO -0.04 -0.11 -0.06 0.68 0.23 0.00 0.00 176.35 177.05 2qrs s VAL 231 N -2.15 3.28 0.49 -1.59 -7.23 -1.13 -5.04 120.40 107.03 2qrs s VAL 231 Ca 0.12 -1.80 -0.22 0.00 -1.81 0.00 0.00 61.98 58.26 2qrs s VAL 231 Cb -0.05 -2.69 -0.07 0.00 0.56 0.00 0.00 36.38 34.14 2qrs s VAL 231 CO 0.04 -0.24 1.17 -1.61 -0.31 0.00 0.00 175.10 174.15 2qrs s GLU 232 N -3.23 3.61 0.33 4.82 0.41 -1.26 -4.63 118.70 118.75 2qrs s GLU 232 Ca 0.28 1.76 -0.29 0.00 -0.41 0.00 0.00 54.97 56.31 2qrs s GLU 232 Cb -0.08 -2.29 -0.11 0.00 -1.78 0.00 0.00 34.13 29.87 2qrs s GLU 232 CO 0.17 -0.67 1.53 0.99 -0.49 0.00 0.00 175.26 176.79 2qrs s THR 233 N -1.58 2.11 0.04 3.63 2.01 -1.26 -4.86 115.64 115.73 2qrs s THR 233 Ca 0.66 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.78 2qrs s THR 233 Cb -0.28 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 2qrs s THR 233 CO 0.33 0.02 -0.07 0.00 -0.69 0.00 0.00 174.62 174.22 2qrs s ARG 234 N -1.27 0.50 0.14 4.92 1.70 -0.69 -4.97 118.95 119.28 2qrs s ARG 234 Ca 0.58 -0.76 -0.30 0.00 -0.47 0.00 0.00 55.73 54.77 2qrs s ARG 234 Cb -0.47 -0.22 -0.07 0.00 -0.57 0.00 0.00 34.95 33.62 2qrs s ARG 234 CO 0.55 0.03 1.23 -1.25 -1.08 0.00 0.00 175.30 174.78 2qrs s PRO 235 N -1.67 4.45 0.45 3.89 0.04 -1.26 -0.63 135.00 140.26 2qrs s PRO 235 Ca -0.10 1.89 0.25 0.00 0.04 0.00 0.00 61.00 63.08 2qrs s PRO 235 Cb -0.09 -3.27 0.63 0.00 0.04 0.00 0.00 34.50 31.81 2qrs s PRO 235 CO -0.00 -0.19 1.71 0.00 0.04 0.00 0.00 177.00 178.56 2qrs h ALA 236 N 5.86 0.96 0.00 8.56 0.00 -1.31 -3.47 119.26 129.87 2qrs h ALA 236 Ca -0.43 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2qrs h ALA 236 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2qrs h ALA 236 CO 0.78 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.54 2qrs n GLY 237 N 0.75 0.39 0.47 0.00 0.00 -1.26 -4.62 105.19 100.92 2qrs n GLY 237 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 2qrs n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qrs n ASP 238 N 0.00 2.94 0.00 1.61 5.68 -1.26 -4.94 116.55 120.58 2qrs n ASP 238 Ca 0.00 -2.62 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 2qrs n ASP 238 Cb 0.00 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 2qrs n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qrs n GLY 239 N -0.50 2.54 3.99 6.12 0.00 -1.26 -5.07 105.19 111.01 2qrs n GLY 239 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 2qrs n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qrs s THR 240 N -2.65 2.49 0.34 2.61 -4.23 -1.26 -4.90 115.64 108.04 2qrs s THR 240 Ca 0.00 -1.08 0.07 0.00 -1.18 0.00 0.00 61.69 59.50 2qrs s THR 240 Cb 0.00 -2.57 -0.07 0.00 1.34 0.00 0.00 72.50 71.20 2qrs s THR 240 CO 0.00 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.69 2qrs s PHE 241 N -2.53 2.23 0.05 3.99 0.08 0.57 -0.85 117.98 121.51 2qrs s PHE 241 Ca 0.55 -0.68 0.01 0.00 0.12 0.00 0.00 56.93 56.93 2qrs s PHE 241 Cb -0.07 -1.39 -0.03 0.00 -0.57 0.00 0.00 43.02 40.96 2qrs s PHE 241 CO 0.34 0.37 -0.05 -0.65 -0.10 0.00 0.00 175.22 175.13 2qrs s GLN 242 N -3.72 0.57 -0.08 0.44 -0.21 0.20 -2.28 119.66 114.58 2qrs s GLN 242 Ca 0.33 -1.00 -0.30 0.00 0.02 0.00 0.00 55.36 54.41 2qrs s GLN 242 Cb 0.06 -0.01 0.11 0.00 1.00 0.00 0.00 33.01 34.16 2qrs s GLN 242 CO 0.15 -0.04 0.88 0.21 -2.12 0.00 0.00 175.29 174.37 2qrs s LYS 243 N -2.82 0.78 0.05 2.91 2.20 -0.84 -1.70 119.74 120.32 2qrs s LYS 243 Ca -0.01 0.03 -0.08 0.00 -0.36 0.00 0.00 55.97 55.56 2qrs s LYS 243 Cb -0.01 0.37 -0.00 0.00 -1.51 0.00 0.00 37.83 36.68 2qrs s LYS 243 CO -0.04 -0.28 0.15 1.67 -0.36 0.00 0.00 175.35 176.49 2qrs s TRP 244 N -1.73 0.15 -0.01 4.03 1.48 -1.26 -1.24 118.94 120.35 2qrs s TRP 244 Ca -0.02 -0.47 0.00 0.00 -1.06 0.00 0.00 56.10 54.56 2qrs s TRP 244 Cb -0.01 -0.09 0.01 0.00 -1.16 0.00 0.00 33.47 32.22 2qrs s TRP 244 CO 0.00 -0.43 -0.01 0.00 -4.06 0.00 0.00 176.95 172.45 2qrs s ALA 245 N -2.97 0.22 0.17 2.67 0.00 -0.48 -2.85 121.76 118.52 2qrs s ALA 245 Ca -0.02 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.06 2qrs s ALA 245 Cb 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2qrs s ALA 245 CO -0.06 -0.02 -0.14 -1.54 0.00 0.00 0.00 175.76 174.00 2qrs s SER 246 N 0.48 2.36 0.02 0.00 1.04 0.45 0.93 113.70 118.97 2qrs s SER 246 Ca -0.04 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 55.44 2qrs s SER 246 Cb -0.07 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 2qrs s SER 246 CO -0.01 -0.16 -0.03 0.68 0.98 0.00 0.00 173.24 174.69 2qrs s VAL 247 N -2.69 0.18 -0.23 5.02 -7.23 -0.42 -0.71 120.40 114.33 2qrs s VAL 247 Ca 0.18 -0.66 -0.11 0.00 -1.81 0.00 0.00 61.98 59.58 2qrs s VAL 247 Cb -0.02 -0.27 -0.05 0.00 0.56 0.00 0.00 36.38 36.60 2qrs s VAL 247 CO 0.05 -0.30 0.18 -0.69 -0.31 0.00 0.00 175.10 174.02 2qrs s VAL 248 N -0.97 5.36 0.15 1.32 1.01 -1.16 -1.31 120.40 124.80 2qrs s VAL 248 Ca -0.09 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.13 2qrs s VAL 248 Cb -0.07 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2qrs s VAL 248 CO -0.00 0.36 -0.01 0.68 0.00 0.00 0.00 175.10 176.12 2qrs s VAL 249 N 0.93 0.65 0.35 2.92 -7.23 -0.08 -4.97 120.40 112.96 2qrs s VAL 249 Ca 0.09 -1.97 -0.28 0.00 -1.81 0.00 0.00 61.98 58.01 2qrs s VAL 249 Cb -0.13 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 2qrs s VAL 249 CO 0.03 -0.57 1.23 -2.84 -0.31 0.00 0.00 175.10 172.64 2qrs s PRO 250 N -3.90 4.30 0.22 4.82 0.02 -1.26 -1.67 135.00 137.52 2qrs s PRO 250 Ca 0.21 2.02 -0.32 0.00 0.02 0.00 0.00 61.00 62.93 2qrs s PRO 250 Cb 0.06 -2.96 -0.12 0.00 0.02 0.00 0.00 34.50 31.50 2qrs s PRO 250 CO 0.02 -0.17 1.69 -0.11 -0.33 0.00 0.00 177.00 178.10 2qrs n LEU 251 N 0.62 3.94 0.00 -5.54 7.94 -1.26 -0.91 117.00 121.79 2qrs n LEU 251 Ca 0.01 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2qrs n LEU 251 Cb 0.44 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.83 2qrs n LEU 251 CO 0.55 0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.57 2qrs n GLY 252 N 3.65 3.30 1.43 -3.96 0.00 -1.26 -4.90 105.19 103.45 2qrs n GLY 252 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2qrs n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qrs n LYS 253 N -2.00 3.95 -0.00 1.61 4.76 -0.09 -4.62 118.16 121.77 2qrs n LYS 253 Ca 0.00 -2.97 0.03 0.00 -2.87 0.00 0.00 58.31 52.50 2qrs n LYS 253 Cb 0.00 -2.02 0.39 0.00 -1.84 0.00 0.00 35.03 31.56 2qrs n LYS 253 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2qrs h GLU 254 N 3.12 0.54 0.00 1.97 3.07 -1.91 -1.93 114.58 119.44 2qrs h GLU 254 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2qrs h GLU 254 Cb 1.67 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.47 2qrs h GLU 254 CO 0.34 0.41 0.00 1.04 -1.40 0.00 0.00 179.01 179.40 2qrs n GLN 255 N -4.42 0.68 0.00 2.33 1.13 -1.26 -2.61 117.38 113.23 2qrs n GLN 255 Ca 0.03 0.01 0.13 0.00 -1.94 0.00 0.00 57.00 55.23 2qrs n GLN 255 Cb 0.11 -1.50 0.43 0.00 0.11 0.00 0.00 30.24 29.39 2qrs n GLN 255 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2qrs n TYR 256 N -1.03 0.00 -4.40 1.08 4.02 -0.73 -4.91 117.16 111.19 2qrs n TYR 256 Ca 0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.77 2qrs n TYR 256 Cb 0.09 -0.01 -0.13 0.00 -0.02 0.00 0.00 39.34 39.27 2qrs n TYR 256 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2qrs s TYR 257 N -2.06 2.31 0.00 -0.72 1.51 -1.07 -3.43 117.35 113.89 2qrs s TYR 257 Ca 0.34 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 2qrs s TYR 257 Cb 0.21 -1.25 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 2qrs s TYR 257 CO 0.35 0.34 -0.04 0.95 -1.11 0.00 0.00 175.55 176.04 2qrs s THR 258 N -1.06 0.28 -0.01 -0.71 -4.23 -0.72 -4.64 115.64 104.55 2qrs s THR 258 Ca 0.14 -0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 2qrs s THR 258 Cb -0.10 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 2qrs s THR 258 CO 0.06 -0.00 0.20 0.00 -0.54 0.00 0.00 174.62 174.33 2qrs s HIS 260 N -1.31 1.64 -0.19 0.00 3.76 0.38 -0.71 115.29 118.86 2qrs s HIS 260 Ca 0.27 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.62 2qrs s HIS 260 Cb -0.13 -1.15 0.02 0.00 1.11 0.00 0.00 32.58 32.44 2qrs s HIS 260 CO 0.18 -0.25 -0.17 0.08 -0.85 0.00 0.00 174.74 173.72 2qrs s VAL 261 N 0.40 2.21 -0.21 -0.90 1.01 -0.06 -1.28 120.40 121.57 2qrs s VAL 261 Ca -0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 2qrs s VAL 261 Cb -0.14 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2qrs s VAL 261 CO 0.04 0.46 -0.03 -0.31 0.00 0.00 0.00 175.10 175.25 2qrs s TYR 262 N 1.29 2.97 -0.18 5.22 1.51 -0.58 -1.36 117.35 126.22 2qrs s TYR 262 Ca 0.03 -0.75 -0.17 0.00 -1.01 0.00 0.00 57.07 55.18 2qrs s TYR 262 Cb -0.14 -2.08 0.05 0.00 -0.11 0.00 0.00 41.96 39.68 2qrs s TYR 262 CO -0.11 -0.42 0.49 -1.58 -1.11 0.00 0.00 175.55 172.82 2qrs s HIS 263 N 1.25 -0.54 0.22 2.71 2.46 -1.26 -2.24 115.29 117.89 2qrs s HIS 263 Ca 0.03 1.31 0.31 0.00 0.47 0.00 0.00 55.06 57.19 2qrs s HIS 263 Cb -0.14 0.19 1.70 0.00 -0.13 0.00 0.00 32.58 34.19 2qrs s HIS 263 CO -0.01 -0.26 1.95 -0.56 -2.47 0.00 0.00 174.74 173.40 2qrs h GLN 264 N 5.41 0.00 0.00 2.88 3.07 -1.95 -1.43 115.11 123.09 2qrs h GLN 264 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.46 2qrs h GLN 264 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 2qrs h GLN 264 CO 0.20 0.00 -0.05 0.78 0.09 0.00 0.00 178.83 179.85 2qrs h GLY 265 N 0.00 0.00 -3.73 0.06 0.00 -1.87 -3.46 103.07 94.06 2qrs h GLY 265 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2qrs h GLY 265 CO 0.00 0.00 0.20 1.08 0.00 0.00 0.00 176.54 177.82 2qrs s LEU 266 N -5.97 4.47 0.41 3.11 1.43 -0.54 -4.66 118.68 116.94 2qrs s LEU 266 Ca 0.07 1.63 0.10 0.00 -1.03 0.00 0.00 54.13 54.91 2qrs s LEU 266 Cb 0.06 -3.55 0.88 0.00 0.03 0.00 0.00 46.19 43.61 2qrs s LEU 266 CO 0.67 0.10 1.98 1.55 0.23 0.00 0.00 176.35 180.87 2qrs h PRO 267 N 3.80 0.24 -3.03 1.29 0.13 -1.89 -3.45 132.00 129.10 2qrs h PRO 267 Ca -0.47 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2qrs h PRO 267 Cb 1.20 -0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 2qrs h PRO 267 CO 0.66 0.31 0.16 -1.83 -0.23 0.00 0.00 178.00 177.06 2qrs s GLU 268 N -4.91 1.23 0.42 0.86 -1.05 -1.26 -5.15 118.70 108.84 2qrs s GLU 268 Ca -0.06 -0.48 -0.25 0.00 -0.15 0.00 0.00 54.97 54.03 2qrs s GLU 268 Cb 0.16 0.56 -0.10 0.00 -0.44 0.00 0.00 34.13 34.31 2qrs s GLU 268 CO 0.72 -0.52 1.22 -2.30 0.95 0.00 0.00 175.26 175.33 2qrs n PRO 269 N -0.29 1.81 -3.23 -4.83 -0.02 -1.26 -4.95 135.00 122.24 2qrs n PRO 269 Ca -0.17 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 2qrs n PRO 269 Cb 0.64 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 2qrs n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qrs s LEU 270 N -1.50 4.40 -0.09 2.45 1.43 -0.46 -4.91 118.68 120.00 2qrs s LEU 270 Ca 0.62 1.27 0.01 0.00 -1.03 0.00 0.00 54.13 55.00 2qrs s LEU 270 Cb -0.52 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 42.43 2qrs s LEU 270 CO 0.58 0.12 -0.12 0.42 0.23 0.00 0.00 176.35 177.58 2qrs s THR 271 N -1.38 1.24 0.07 5.49 -4.23 -1.26 -0.89 115.64 114.68 2qrs s THR 271 Ca 0.37 -0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 60.38 2qrs s THR 271 Cb -0.17 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 2qrs s THR 271 CO 0.20 0.39 0.00 -1.48 -0.54 0.00 0.00 174.62 173.19 2qrs s LEU 272 N 1.01 2.26 0.11 4.79 2.34 0.12 -4.96 118.68 124.35 2qrs s LEU 272 Ca -0.07 -1.05 0.03 0.00 0.06 0.00 0.00 54.13 53.10 2qrs s LEU 272 Cb -0.15 0.25 -0.04 0.00 -0.56 0.00 0.00 46.19 45.70 2qrs s LEU 272 CO -0.01 -0.64 -0.08 -0.13 -1.06 0.00 0.00 176.35 174.43 2qrs s ARG 273 N -3.95 0.88 0.12 1.48 0.52 -1.26 -0.24 118.95 116.50 2qrs s ARG 273 Ca 0.12 -1.33 -0.31 0.00 -0.52 0.00 0.00 55.73 53.69 2qrs s ARG 273 Cb 0.08 -0.34 -0.10 0.00 0.52 0.00 0.00 34.95 35.11 2qrs s ARG 273 CO -0.07 0.02 1.83 -0.46 0.02 0.00 0.00 175.30 176.64 2qrs s TRP 274 N -3.38 2.12 -0.29 -0.53 -0.00 -1.26 -4.79 118.94 110.81 2qrs s TRP 274 Ca 0.12 -0.03 0.03 0.00 -0.00 0.00 0.00 56.10 56.22 2qrs s TRP 274 Cb 0.03 -4.18 0.08 0.00 -0.00 0.00 0.00 33.47 29.40 2qrs s TRP 274 CO -0.03 -4.87 -0.05 -1.21 -0.00 0.00 0.00 176.95 170.79 2qrs s GLU 275 N 2.81 1.93 0.00 5.86 2.02 -1.26 -4.89 118.70 125.16 2qrs s GLU 275 Ca 0.81 -1.54 0.12 0.00 0.02 0.00 0.00 54.97 54.38 2qrs s GLU 275 Cb -0.46 -3.00 0.73 0.00 0.10 0.00 0.00 34.13 31.51 2qrs s GLU 275 CO 0.36 -0.71 1.16 -0.35 0.02 0.00 0.00 175.26 175.74