#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vja s ILE 17 N 0.00 4.85 0.00 1.39 -1.09 0.61 -4.15 121.20 122.81 1vja s ILE 17 Ca 0.00 1.75 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 1vja s ILE 17 Cb 0.00 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1vja s ILE 17 CO 0.00 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 1vja n GLY 18 N 2.75 0.99 7.00 6.18 0.00 -1.26 -2.61 105.19 118.25 1vja n GLY 18 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1vja n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vja n GLY 19 N 0.00 -0.45 3.13 -0.02 0.00 -1.26 -4.88 105.19 101.72 1vja n GLY 19 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 1vja n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vja s GLU 20 N 0.00 0.67 0.40 1.61 2.02 -0.26 -4.98 118.70 118.16 1vja s GLU 20 Ca 0.00 -0.99 -0.23 0.00 0.02 0.00 0.00 54.97 53.77 1vja s GLU 20 Cb 0.00 0.26 -0.10 0.00 0.10 0.00 0.00 34.13 34.39 1vja s GLU 20 CO 0.00 -0.17 0.98 -0.06 0.02 0.00 0.00 175.26 176.03 1vja s PHE 21 N -3.47 3.38 0.21 1.61 0.40 -1.26 -1.15 117.98 117.70 1vja s PHE 21 Ca 0.02 1.67 0.02 0.00 -0.60 0.00 0.00 56.93 58.04 1vja s PHE 21 Cb 0.04 -2.95 -0.01 0.00 0.51 0.00 0.00 43.02 40.61 1vja s PHE 21 CO -0.09 -0.20 0.23 -2.37 0.70 0.00 0.00 175.22 173.50 1vja n THR 22 N -0.19 0.00 -4.40 0.64 5.66 -0.64 -4.87 114.28 110.48 1vja n THR 22 Ca 0.05 -1.34 -0.20 0.00 -3.05 0.00 0.00 64.05 59.51 1vja n THR 22 Cb 0.52 0.73 -0.10 0.00 -1.55 0.00 0.00 70.33 69.92 1vja n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1vja s THR 23 N -2.77 1.74 0.61 1.09 -4.23 -1.26 -4.30 115.64 106.53 1vja s THR 23 Ca 0.22 -2.18 0.33 0.00 -1.18 0.00 0.00 61.69 58.88 1vja s THR 23 Cb 0.00 -2.28 0.38 0.00 1.34 0.00 0.00 72.50 71.94 1vja s THR 23 CO 0.16 -0.42 2.22 -0.29 -0.54 0.00 0.00 174.62 175.74 1vja h ILE 24 N 2.39 0.35 -0.54 2.99 6.09 -1.88 -0.92 117.51 125.98 1vja h ILE 24 Ca -0.39 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.16 1vja h ILE 24 Cb 1.23 0.93 -0.03 0.00 0.47 0.00 0.00 36.82 39.42 1vja h ILE 24 CO 0.65 0.00 0.36 -0.33 -3.07 0.00 0.00 178.15 175.76 1vja h GLU 25 N 0.00 0.46 -0.01 2.19 5.08 -1.88 0.28 114.58 120.71 1vja h GLU 25 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vja h GLU 25 Cb 0.19 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1vja h GLU 25 CO -0.00 0.31 -0.34 0.09 -1.00 0.00 0.00 179.01 178.06 1vja n ASN 26 N -4.47 1.04 -2.91 1.42 3.02 -0.35 -4.21 115.26 108.79 1vja n ASN 26 Ca 0.08 -0.85 -0.13 0.00 -0.03 0.00 0.00 54.58 53.64 1vja n ASN 26 Cb 0.26 0.22 0.01 0.00 -0.61 0.00 0.00 39.78 39.65 1vja n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vja n GLN 27 N -0.75 1.06 0.22 3.52 1.13 -0.30 -4.98 117.38 117.27 1vja n GLN 27 Ca 0.10 -3.26 0.11 0.00 -1.94 0.00 0.00 57.00 52.02 1vja n GLN 27 Cb 0.36 -1.43 0.59 0.00 0.11 0.00 0.00 30.24 29.87 1vja n GLN 27 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1vja h PRO 28 N 2.98 0.00 -0.02 -1.09 0.13 -1.18 -0.91 132.00 131.92 1vja h PRO 28 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1vja h PRO 28 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1vja h PRO 28 CO 0.48 0.00 -0.22 -2.67 -0.23 0.00 0.00 178.00 175.36 1vja n TRP 29 N -2.39 0.00 -2.43 1.56 2.14 -1.20 -1.31 117.44 113.81 1vja n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.13 1vja n TRP 29 Cb 0.26 -0.04 -0.03 0.00 -0.81 0.00 0.00 31.31 30.70 1vja n TRP 29 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1vja s PHE 30 N -2.29 3.36 -0.09 -2.67 2.19 -0.35 -0.57 117.98 117.56 1vja s PHE 30 Ca 0.26 1.27 0.01 0.00 0.33 0.00 0.00 56.93 58.80 1vja s PHE 30 Cb 0.19 -3.42 -0.03 0.00 -1.31 0.00 0.00 43.02 38.46 1vja s PHE 30 CO 0.46 -1.30 -0.09 0.00 1.83 0.00 0.00 175.22 176.12 1vja s ALA 31 N 1.37 2.85 -0.23 11.12 0.00 -0.33 -4.36 121.76 132.18 1vja s ALA 31 Ca 0.58 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.58 1vja s ALA 31 Cb -0.28 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1vja s ALA 31 CO 0.27 0.46 0.04 0.00 0.00 0.00 0.00 175.76 176.54 1vja s ALA 32 N -0.42 3.12 -0.18 0.00 0.00 0.04 -1.37 121.76 122.95 1vja s ALA 32 Ca 0.06 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 1vja s ALA 32 Cb -0.12 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1vja s ALA 32 CO 0.02 -0.32 -0.04 0.42 0.00 0.00 0.00 175.76 175.84 1vja s ILE 33 N 1.31 3.62 0.32 0.00 1.01 -0.34 -0.16 121.20 126.95 1vja s ILE 33 Ca 0.05 -0.44 0.10 0.00 0.00 0.00 0.00 60.65 60.36 1vja s ILE 33 Cb -0.15 -2.61 -0.06 0.00 0.01 0.00 0.00 42.46 39.66 1vja s ILE 33 CO 0.02 0.46 -0.11 -0.31 0.00 0.00 0.00 174.94 175.00 1vja s TYR 34 N 0.87 2.40 -0.08 3.97 2.02 0.39 -0.41 117.35 126.51 1vja s TYR 34 Ca -0.01 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 1vja s TYR 34 Cb -0.15 -1.25 0.01 0.00 -0.40 0.00 0.00 41.96 40.18 1vja s TYR 34 CO 0.01 0.62 -0.15 0.50 -1.57 0.00 0.00 175.55 174.96 1vja s ARG 35 N -3.59 2.10 0.33 -0.62 3.52 -0.24 -0.84 118.95 119.62 1vja s ARG 35 Ca 0.32 -0.54 -0.26 0.00 -0.13 0.00 0.00 55.73 55.12 1vja s ARG 35 Cb -0.01 -1.70 -0.10 0.00 -1.56 0.00 0.00 34.95 31.58 1vja s ARG 35 CO 0.17 0.04 0.97 1.03 -0.81 0.00 0.00 175.30 176.70 1vja s ARG 36 N 0.67 4.52 0.04 5.12 0.52 0.17 -2.00 118.95 128.00 1vja s ARG 36 Ca -0.14 1.40 0.05 0.00 -0.52 0.00 0.00 55.73 56.52 1vja s ARG 36 Cb -0.16 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 1vja s ARG 36 CO 0.04 0.20 -0.10 -1.01 0.02 0.00 0.00 175.30 174.45 1vja s HIS 37 N -1.58 2.77 0.00 -0.53 3.76 -0.05 -4.92 115.29 114.74 1vja s HIS 37 Ca 0.51 -0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 1vja s HIS 37 Cb -0.20 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 31.97 1vja s HIS 37 CO 0.26 0.36 0.00 0.54 -0.85 0.00 0.00 174.74 175.05 1vja n ARG 37 N 1.28 0.00 0.00 1.40 3.00 -1.26 -4.12 116.66 116.96 1vja n ARG 37 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.69 1vja n ARG 37 Cb 0.52 -0.60 0.00 0.00 0.00 0.00 0.00 32.46 32.38 1vja n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vja n GLY 37 N 0.00 -0.38 3.80 -0.13 0.00 -1.26 -5.22 105.19 102.00 1vja n GLY 37 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1vja n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vja s SER 37 N -0.10 7.19 -0.20 1.61 1.04 -1.26 -5.06 113.70 116.92 1vja s SER 37 Ca 0.00 1.52 -0.02 0.00 0.48 0.00 0.00 55.95 57.93 1vja s SER 37 Cb 0.00 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1vja s SER 37 CO 0.00 0.09 -0.11 -0.69 0.98 0.00 0.00 173.24 173.52 1vja s VAL 38 N -1.39 2.87 0.11 5.02 1.01 -1.26 -0.87 120.40 125.89 1vja s VAL 38 Ca 0.41 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1vja s VAL 38 Cb -0.19 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1vja s VAL 38 CO 0.23 0.47 -0.10 0.42 0.00 0.00 0.00 175.10 176.12 1vja s THR 39 N 1.31 3.35 0.33 3.92 -4.23 -0.85 -4.91 115.64 114.56 1vja s THR 39 Ca 0.04 -1.29 -0.28 0.00 -1.18 0.00 0.00 61.69 58.98 1vja s THR 39 Cb -0.14 -2.57 -0.10 0.00 1.34 0.00 0.00 72.50 71.03 1vja s THR 39 CO -0.06 0.10 1.19 -0.47 -0.54 0.00 0.00 174.62 174.84 1vja s TYR 40 N -1.23 3.27 0.01 3.99 5.04 -1.26 -1.08 117.35 126.09 1vja s TYR 40 Ca 0.21 1.57 -0.06 0.00 -2.44 0.00 0.00 57.07 56.36 1vja s TYR 40 Cb -0.11 -3.44 -0.02 0.00 0.35 0.00 0.00 41.96 38.74 1vja s TYR 40 CO 0.14 -1.18 -0.11 0.28 -1.34 0.00 0.00 175.55 173.34 1vja n VAL 41 N 0.77 1.29 -3.85 3.14 0.31 0.46 -4.86 118.33 115.59 1vja n VAL 41 Ca 0.01 0.32 -0.08 0.00 -0.01 0.00 0.00 64.34 64.58 1vja n VAL 41 Cb 0.44 -1.82 -0.03 0.00 -0.91 0.00 0.00 33.84 31.52 1vja n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vja s GLY 43 N -2.93 1.75 0.11 0.00 0.00 -0.30 -1.20 107.32 104.75 1vja s GLY 43 Ca 0.13 -1.82 -0.25 0.00 0.00 0.00 0.00 44.72 42.78 1vja s GLY 43 CO 0.05 -1.21 1.13 -0.32 0.00 0.00 0.00 173.10 172.75 1vja s GLY 44 N -4.79 0.01 -0.01 0.20 0.00 -0.47 -3.82 107.32 98.45 1vja s GLY 44 Ca 0.68 -0.17 0.01 0.00 0.00 0.00 0.00 44.72 45.23 1vja s GLY 44 CO 0.45 3.40 -0.03 -0.56 0.00 0.00 0.00 173.10 176.36 1vja s SER 45 N -3.52 0.36 -0.41 1.64 0.01 -0.52 -1.18 113.70 110.08 1vja s SER 45 Ca 0.24 -0.05 -0.27 0.00 1.31 0.00 0.00 55.95 57.18 1vja s SER 45 Cb -0.02 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.17 1vja s SER 45 CO 0.03 0.02 0.97 -0.22 0.41 0.00 0.00 173.24 174.45 1vja s LEU 46 N 0.09 3.93 -0.00 2.44 2.96 0.26 -0.62 118.68 127.74 1vja s LEU 46 Ca -0.01 0.48 0.21 0.00 -0.22 0.00 0.00 54.13 54.60 1vja s LEU 46 Cb -0.03 -3.32 -0.15 0.00 0.50 0.00 0.00 46.19 43.19 1vja s LEU 46 CO -0.00 -0.98 0.94 2.30 -1.32 0.00 0.00 176.35 177.29 1vja n ILE 47 N 6.24 0.00 -3.54 6.68 -5.35 -0.79 -1.26 119.36 121.34 1vja n ILE 47 Ca 0.08 -0.02 -0.08 0.00 -0.27 0.00 0.00 62.75 62.47 1vja n ILE 47 Cb 0.48 0.88 -0.02 0.00 -1.74 0.00 0.00 39.64 39.24 1vja n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1vja s SER 48 N -3.06 -0.34 0.40 7.28 1.04 -1.18 -4.66 113.70 113.19 1vja s SER 48 Ca 0.08 -0.06 0.22 0.00 0.48 0.00 0.00 55.95 56.66 1vja s SER 48 Cb 0.16 0.40 1.20 0.00 0.10 0.00 0.00 66.02 67.88 1vja s SER 48 CO 0.85 -0.67 1.72 -0.65 0.98 0.00 0.00 173.24 175.47 1vja h PRO 49 N 2.00 0.29 -0.02 4.02 0.11 -1.94 -2.06 132.00 134.40 1vja h PRO 49 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1vja h PRO 49 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1vja h PRO 49 CO 0.30 0.19 0.00 0.00 -0.21 0.00 0.00 178.00 178.28 1vja s TRP 51 N -1.18 1.52 -0.05 0.00 0.52 -0.78 -1.11 118.94 117.87 1vja s TRP 51 Ca 0.17 -0.42 0.06 0.00 0.02 0.00 0.00 56.10 55.92 1vja s TRP 51 Cb 0.12 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.39 1vja s TRP 51 CO 0.18 -0.15 -0.24 0.08 0.02 0.00 0.00 176.95 176.84 1vja s VAL 52 N 0.08 2.20 -0.08 4.03 1.01 -0.59 -1.88 120.40 125.17 1vja s VAL 52 Ca -0.04 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1vja s VAL 52 Cb -0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1vja s VAL 52 CO 0.02 0.57 -0.04 -0.51 0.00 0.00 0.00 175.10 175.14 1vja s ILE 53 N -0.37 3.96 0.00 2.22 2.07 0.21 -0.98 121.20 128.31 1vja s ILE 53 Ca 0.03 -0.38 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 1vja s ILE 53 Cb -0.12 -2.65 0.00 0.00 0.13 0.00 0.00 42.46 39.82 1vja s ILE 53 CO 0.02 0.59 0.00 -0.24 -1.91 0.00 0.00 174.94 173.40 1vja n SER 54 N 2.30 0.00 -4.40 4.50 2.88 0.56 -1.44 113.62 118.03 1vja n SER 54 Ca -0.18 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.04 1vja n SER 54 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 1vja n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vja s ALA 55 N -1.65 2.49 0.24 -1.46 0.00 -1.26 -0.65 121.76 119.46 1vja s ALA 55 Ca 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 1vja s ALA 55 Cb 0.00 -0.88 0.22 0.00 0.00 0.00 0.00 23.12 22.46 1vja s ALA 55 CO 0.00 0.48 1.91 1.15 0.00 0.00 0.00 175.76 179.30 1vja h THR 56 N 4.64 1.24 0.00 0.00 2.02 -1.75 -2.51 112.91 116.56 1vja h THR 56 Ca -0.40 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1vja h THR 56 Cb 1.16 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1vja h THR 56 CO 0.50 0.23 0.11 1.12 0.37 0.00 0.00 175.52 177.85 1vja h HIS 57 N 1.25 0.00 -0.01 3.16 2.07 -1.91 -0.20 115.15 119.52 1vja h HIS 57 Ca 0.34 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.71 1vja h HIS 57 Cb -0.13 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.83 1vja h HIS 57 CO -0.01 0.00 -0.67 0.00 -3.07 0.00 0.00 177.93 174.19 1vja n PHE 59 N -3.75 0.00 -0.28 0.00 3.72 -0.19 -4.80 117.46 112.15 1vja n PHE 59 Ca -0.01 0.00 0.25 0.00 -0.05 0.00 0.00 57.45 57.64 1vja n PHE 59 Cb 0.66 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.79 1vja n PHE 59 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1vja h ILE 60 N 0.04 0.54 0.00 4.37 6.09 -1.43 -0.60 117.51 126.52 1vja h ILE 60 Ca 0.00 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1vja h ILE 60 Cb 0.04 0.25 0.00 0.00 0.47 0.00 0.00 36.82 37.58 1vja h ILE 60 CO 0.00 0.05 -0.49 0.44 -3.07 0.00 0.00 178.15 175.08 1vja h ASP 60 N 0.26 0.00 -2.08 2.19 3.32 -1.87 -3.39 116.42 114.86 1vja h ASP 60 Ca 0.54 -0.14 -0.55 0.00 0.02 0.00 0.00 57.03 56.90 1vja h ASP 60 Cb 1.61 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.79 1vja h ASP 60 CO -0.17 0.07 -1.01 -1.22 -1.72 0.00 0.00 179.24 175.19 1vja n TYR 60 N -2.24 -0.86 0.78 4.55 4.02 -0.27 -5.00 117.16 118.14 1vja n TYR 60 Ca 0.04 -3.30 0.00 0.00 -0.01 0.00 0.00 57.90 54.62 1vja n TYR 60 Cb 0.45 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1vja n TYR 60 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1vja n PRO 60 N 2.15 0.78 -2.99 -0.72 -0.02 -0.97 -4.79 135.00 128.44 1vja n PRO 60 Ca 0.25 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.30 1vja n PRO 60 Cb 0.51 -1.30 -0.05 0.00 -0.02 0.00 0.00 33.50 32.64 1vja n PRO 60 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1vja s LYS 61 N -0.59 3.24 0.42 -0.52 2.20 -1.26 -4.93 119.74 118.30 1vja s LYS 61 Ca 0.00 -0.55 0.15 0.00 -0.36 0.00 0.00 55.97 55.21 1vja s LYS 61 Cb 0.00 -4.07 1.03 0.00 -1.51 0.00 0.00 37.83 33.28 1vja s LYS 61 CO 0.00 -1.35 1.92 1.57 -0.36 0.00 0.00 175.35 177.13 1vja h LYS 62 N 9.15 0.42 0.00 4.03 2.10 -1.90 -2.39 116.57 127.99 1vja h LYS 62 Ca -0.27 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.35 1vja h LYS 62 Cb 1.08 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1vja h LYS 62 CO 1.03 0.28 -0.03 0.93 -2.00 0.00 0.00 179.45 179.65 1vja h GLU 62 N 0.43 0.00 -0.12 0.07 4.39 -1.92 -2.85 114.58 114.59 1vja h GLU 62 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1vja h GLU 62 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1vja h GLU 62 CO -0.12 0.03 0.00 -0.25 -1.16 0.00 0.00 179.01 177.51 1vja n ASP 63 N -3.37 1.38 -4.69 1.42 8.00 -0.90 -4.90 116.55 113.50 1vja n ASP 63 Ca -0.02 -1.63 -0.30 0.00 0.71 0.00 0.00 54.79 53.55 1vja n ASP 63 Cb 0.16 -0.08 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 1vja n ASP 63 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1vja s TYR 64 N -1.85 2.99 -0.04 1.24 1.51 -1.08 0.45 117.35 120.57 1vja s TYR 64 Ca 0.33 -0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 1vja s TYR 64 Cb 0.17 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 1vja s TYR 64 CO 0.27 0.48 -0.13 0.42 -1.11 0.00 0.00 175.55 175.48 1vja s ILE 65 N -1.31 1.11 -0.11 2.71 1.01 -0.02 -4.18 121.20 120.40 1vja s ILE 65 Ca 0.26 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1vja s ILE 65 Cb -0.12 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 1vja s ILE 65 CO 0.18 0.33 -0.17 -0.69 0.00 0.00 0.00 174.94 174.59 1vja s VAL 66 N 0.22 2.67 -0.08 2.92 1.01 -0.52 -0.46 120.40 126.16 1vja s VAL 66 Ca -0.05 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1vja s VAL 66 Cb -0.11 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1vja s VAL 66 CO 0.02 0.54 -0.17 -0.31 0.00 0.00 0.00 175.10 175.18 1vja s TYR 67 N 0.29 2.67 0.09 5.22 2.02 0.77 -0.57 117.35 127.85 1vja s TYR 67 Ca -0.13 -0.49 0.09 0.00 -0.37 0.00 0.00 57.07 56.17 1vja s TYR 67 Cb -0.16 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 1vja s TYR 67 CO 0.07 -0.07 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.23 1vja s LEU 68 N -0.18 2.27 -0.69 -1.29 1.43 -0.73 -0.78 118.68 118.70 1vja s LEU 68 Ca -0.01 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1vja s LEU 68 Cb -0.13 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1vja s LEU 68 CO 0.03 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1vja n GLY 69 N 1.24 0.53 3.45 -3.19 0.00 -1.24 -0.82 105.19 105.16 1vja n GLY 69 Ca -0.18 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 1vja n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vja s ARG 70 N -3.42 3.60 -0.07 1.61 3.52 -1.26 -3.75 118.95 119.18 1vja s ARG 70 Ca 0.00 -0.54 0.21 0.00 -0.13 0.00 0.00 55.73 55.26 1vja s ARG 70 Cb 0.00 -2.98 -0.31 0.00 -1.56 0.00 0.00 34.95 30.10 1vja s ARG 70 CO 0.00 0.10 0.38 0.43 -0.81 0.00 0.00 175.30 175.39 1vja n SER 71 N 3.97 0.14 -4.44 -2.12 7.64 -1.26 -4.68 113.62 112.88 1vja n SER 71 Ca -0.17 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.40 1vja n SER 71 Cb 0.52 1.75 -0.13 0.00 -1.01 0.00 0.00 64.21 65.34 1vja n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1vja s ARG 72 N -3.25 1.94 0.05 1.43 0.52 -1.26 -1.96 118.95 116.41 1vja s ARG 72 Ca -0.08 -1.06 -0.28 0.00 -0.52 0.00 0.00 55.73 53.79 1vja s ARG 72 Cb 0.12 -2.12 -0.17 0.00 0.52 0.00 0.00 34.95 33.30 1vja s ARG 72 CO 0.87 0.52 1.50 1.25 0.02 0.00 0.00 175.30 179.46 1vja h LEU 73 N 4.43 -0.44 -2.96 2.53 6.46 -1.32 -3.36 115.31 120.64 1vja h LEU 73 Ca -0.48 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 1vja h LEU 73 Cb 1.16 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 1vja h LEU 73 CO 0.46 -0.22 0.00 0.59 -0.62 0.00 0.00 178.44 178.65 1vja n ASN 74 N -5.26 2.98 -4.25 1.25 3.02 -1.26 -5.01 115.26 106.72 1vja n ASN 74 Ca -0.11 -2.19 -0.14 0.00 -0.03 0.00 0.00 54.58 52.12 1vja n ASN 74 Cb 0.26 -0.26 -0.10 0.00 -0.61 0.00 0.00 39.78 39.06 1vja n ASN 74 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1vja s SER 75 N -1.19 1.62 0.53 6.41 1.04 -1.26 -5.15 113.70 115.70 1vja s SER 75 Ca 0.24 -1.06 -0.14 0.00 0.48 0.00 0.00 55.95 55.47 1vja s SER 75 Cb 0.15 0.03 -0.06 0.00 0.10 0.00 0.00 66.02 66.23 1vja s SER 75 CO 0.13 -0.41 0.96 0.20 0.98 0.00 0.00 173.24 175.10 1vja s ASN 76 N -3.17 6.47 -0.05 7.02 0.01 -1.26 -4.46 114.94 119.50 1vja s ASN 76 Ca 0.19 1.44 0.02 0.00 -0.71 0.00 0.00 52.86 53.80 1vja s ASN 76 Cb 0.04 -2.46 0.01 0.00 0.41 0.00 0.00 41.25 39.25 1vja s ASN 76 CO 0.01 -0.65 -0.11 -0.89 -1.51 0.00 0.00 177.10 173.95 1vja s THR 77 N -2.77 1.03 0.31 1.60 2.01 -1.26 -4.91 115.64 111.65 1vja s THR 77 Ca 0.56 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 1vja s THR 77 Cb -0.10 -0.94 -0.11 0.00 0.01 0.00 0.00 72.50 71.35 1vja s THR 77 CO 0.39 0.33 1.53 0.00 -0.69 0.00 0.00 174.62 176.18 1vja s GLN 78 N 0.57 4.15 0.00 4.92 -2.07 -1.26 -1.68 119.66 124.28 1vja s GLN 78 Ca -0.12 2.52 0.00 0.00 -1.82 0.00 0.00 55.36 55.95 1vja s GLN 78 Cb -0.14 -3.02 0.00 0.00 -1.09 0.00 0.00 33.01 28.76 1vja s GLN 78 CO 0.03 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 173.85 1vja n GLY 79 N 1.64 1.95 3.74 2.60 0.00 -1.26 -5.02 105.19 108.83 1vja n GLY 79 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1vja n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1vja s GLU 80 N -0.77 2.35 -0.02 1.61 -1.05 -0.68 -4.81 118.70 115.32 1vja s GLU 80 Ca 0.00 1.63 0.03 0.00 -0.15 0.00 0.00 54.97 56.48 1vja s GLU 80 Cb 0.00 -1.87 -0.00 0.00 -0.44 0.00 0.00 34.13 31.82 1vja s GLU 80 CO 0.00 -1.65 -0.11 -1.64 0.95 0.00 0.00 175.26 172.82 1vja s MET 81 N -3.98 1.07 -0.15 -4.83 -1.94 0.00 -4.99 119.30 104.48 1vja s MET 81 Ca 0.72 -0.37 -0.09 0.00 -1.71 0.00 0.00 55.69 54.24 1vja s MET 81 Cb -0.26 -0.99 -0.04 0.00 2.01 0.00 0.00 34.83 35.54 1vja s MET 81 CO 0.44 0.16 0.15 0.21 -0.01 0.00 0.00 175.02 175.97 1vja s LYS 82 N 0.07 3.79 0.07 2.03 2.20 -1.26 -1.78 119.74 124.87 1vja s LYS 82 Ca -0.02 -0.13 0.04 0.00 -0.36 0.00 0.00 55.97 55.50 1vja s LYS 82 Cb -0.08 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1vja s LYS 82 CO 0.00 0.56 -0.11 -0.06 -0.36 0.00 0.00 175.35 175.39 1vja s PHE 83 N -0.41 0.99 0.34 4.03 0.08 0.27 -4.58 117.98 118.69 1vja s PHE 83 Ca 0.13 -0.56 0.07 0.00 0.12 0.00 0.00 56.93 56.69 1vja s PHE 83 Cb -0.12 -0.56 -0.01 0.00 -0.57 0.00 0.00 43.02 41.76 1vja s PHE 83 CO 0.02 -0.01 0.45 -1.21 -0.10 0.00 0.00 175.22 174.37 1vja s GLU 84 N -2.15 3.08 -0.35 0.44 0.41 -0.47 -1.43 118.70 118.23 1vja s GLU 84 Ca -0.01 -1.04 -0.11 0.00 -0.41 0.00 0.00 54.97 53.40 1vja s GLU 84 Cb -0.07 -2.79 0.01 0.00 -1.78 0.00 0.00 34.13 29.51 1vja s GLU 84 CO 0.01 0.06 0.20 0.08 -0.49 0.00 0.00 175.26 175.12 1vja s VAL 85 N -2.19 4.66 0.14 2.63 1.01 -1.26 -2.17 120.40 123.22 1vja s VAL 85 Ca 0.45 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1vja s VAL 85 Cb -0.09 -3.52 -0.16 0.00 0.00 0.00 0.00 36.38 32.61 1vja s VAL 85 CO 0.31 -0.13 1.34 -0.08 0.00 0.00 0.00 175.10 176.53 1vja h GLU 86 N 8.42 0.50 -2.80 2.72 4.81 -0.46 -3.43 114.58 124.34 1vja h GLU 86 Ca -0.28 -0.47 -0.14 0.00 -0.13 0.00 0.00 59.36 58.34 1vja h GLU 86 Cb 1.12 0.12 -0.27 0.00 0.63 0.00 0.00 28.75 30.35 1vja h GLU 86 CO 0.65 1.10 -0.35 1.21 -0.73 0.00 0.00 179.01 180.89 1vja s ASN 87 N -7.07 -0.42 -0.29 1.04 3.04 -1.14 -4.97 114.94 105.13 1vja s ASN 87 Ca -0.07 0.75 -0.05 0.00 0.04 0.00 0.00 52.86 53.53 1vja s ASN 87 Cb 0.09 0.65 0.02 0.00 -1.54 0.00 0.00 41.25 40.48 1vja s ASN 87 CO 0.87 -0.17 0.04 -0.22 -3.04 0.00 0.00 177.10 174.58 1vja s LEU 88 N 1.14 3.78 -0.32 3.21 2.96 -1.26 -0.73 118.68 127.45 1vja s LEU 88 Ca -0.08 -0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 52.91 1vja s LEU 88 Cb -0.08 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1vja s LEU 88 CO -0.09 -0.21 0.08 -0.63 -1.32 0.00 0.00 176.35 174.18 1vja s ILE 89 N 1.42 3.69 0.11 6.68 1.01 0.99 -5.00 121.20 130.10 1vja s ILE 89 Ca 0.01 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1vja s ILE 89 Cb -0.18 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1vja s ILE 89 CO 0.01 -0.10 0.20 -0.76 0.00 0.00 0.00 174.94 174.28 1vja s LEU 90 N 1.40 4.15 -0.00 2.97 1.43 -1.26 -0.87 118.68 126.51 1vja s LEU 90 Ca -0.01 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 1vja s LEU 90 Cb -0.19 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 1vja s LEU 90 CO 0.02 0.12 1.07 -2.28 0.23 0.00 0.00 176.35 175.51 1vja s HIS 91 N -1.60 3.53 0.43 0.29 5.65 -1.21 -4.94 115.29 117.43 1vja s HIS 91 Ca 0.33 1.52 0.10 0.00 0.25 0.00 0.00 55.06 57.26 1vja s HIS 91 Cb -0.12 -3.25 0.92 0.00 -1.18 0.00 0.00 32.58 28.96 1vja s HIS 91 CO 0.26 -0.54 2.03 -0.22 -0.65 0.00 0.00 174.74 175.62 1vja h LYS 92 N 6.90 0.31 -0.73 2.88 3.64 -1.94 -2.76 116.57 124.88 1vja h LYS 92 Ca -0.39 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 58.89 1vja h LYS 92 Cb 1.20 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1vja h LYS 92 CO 0.79 0.29 0.08 -0.25 -2.27 0.00 0.00 179.45 178.09 1vja n ASP 93 N -4.42 4.51 -4.77 4.20 8.00 -1.26 -4.95 116.55 117.87 1vja n ASP 93 Ca 0.00 -2.80 -0.41 0.00 0.71 0.00 0.00 54.79 52.30 1vja n ASP 93 Cb 0.14 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 40.55 1vja n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1vja s TYR 94 N -2.39 3.12 -0.02 1.24 5.04 -1.05 -4.62 117.35 118.67 1vja s TYR 94 Ca 0.43 1.45 -0.30 0.00 -2.44 0.00 0.00 57.07 56.21 1vja s TYR 94 Cb 0.33 -3.63 0.07 0.00 0.35 0.00 0.00 41.96 39.09 1vja s TYR 94 CO 0.12 -1.68 0.68 -1.54 -1.34 0.00 0.00 175.55 171.79 1vja s SER 95 N -0.52 -0.63 -0.12 4.32 1.04 -1.11 -4.99 113.70 111.69 1vja s SER 95 Ca 0.48 0.58 0.02 0.00 0.48 0.00 0.00 55.95 57.51 1vja s SER 95 Cb -0.39 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1vja s SER 95 CO 0.51 -0.66 -0.17 0.00 0.98 0.00 0.00 173.24 173.90 1vja s ALA 96 N -1.64 1.81 0.06 5.32 0.00 -1.26 -0.35 121.76 125.69 1vja s ALA 96 Ca -0.08 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1vja s ALA 96 Cb -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1vja s ALA 96 CO 0.06 -0.07 0.00 -0.25 0.00 0.00 0.00 175.76 175.49 1vja n ASP 97 N 4.18 0.00 -0.17 0.00 9.92 0.19 -4.98 116.55 125.70 1vja n ASP 97 Ca -0.19 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.05 1vja n ASP 97 Cb 0.51 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 41.05 1vja n ASP 97 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1vja h THR 97 N 0.00 0.55 0.00 -3.53 2.02 -2.02 -3.39 112.91 106.54 1vja h THR 97 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1vja h THR 97 Cb 0.00 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1vja h THR 97 CO 0.00 0.01 -0.66 0.18 0.37 0.00 0.00 175.52 175.42 1vja n LEU 97 N -5.29 0.47 -4.77 2.58 4.77 -1.26 -5.09 117.00 108.41 1vja n LEU 97 Ca 0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.65 1vja n LEU 97 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1vja n LEU 97 CO 0.13 -0.05 0.94 0.00 -1.33 0.00 0.00 177.39 177.08 1vja s ALA 98 N -1.92 3.15 -0.20 -1.18 0.00 -1.26 -4.81 121.76 115.54 1vja s ALA 98 Ca 0.00 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1vja s ALA 98 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1vja s ALA 98 CO 0.00 -0.87 -0.16 -1.01 0.00 0.00 0.00 175.76 173.72 1vja s HIS 99 N -1.32 2.80 -0.00 0.00 3.76 -1.26 -0.63 115.29 118.63 1vja s HIS 99 Ca 0.60 -1.78 -0.13 0.00 -0.15 0.00 0.00 55.06 53.60 1vja s HIS 99 Cb -0.37 -1.85 -0.06 0.00 1.11 0.00 0.00 32.58 31.41 1vja s HIS 99 CO 0.46 -0.81 0.38 -1.01 -0.85 0.00 0.00 174.74 172.92 1vja s HIS 100 N 1.27 3.70 -1.36 1.40 3.76 0.52 -4.34 115.29 120.24 1vja s HIS 100 Ca 0.01 0.92 -0.01 0.00 -0.15 0.00 0.00 55.06 55.83 1vja s HIS 100 Cb -0.15 -2.24 0.01 0.00 1.11 0.00 0.00 32.58 31.31 1vja s HIS 100 CO -0.10 0.64 0.58 0.09 -0.85 0.00 0.00 174.74 175.10 1vja n ASN 101 N 1.71 -0.92 -4.48 1.40 3.02 -1.26 -2.75 115.26 111.98 1vja n ASN 101 Ca -0.14 -0.90 -0.44 0.00 -0.03 0.00 0.00 54.58 53.07 1vja n ASN 101 Cb 0.53 -3.59 -0.00 0.00 -0.61 0.00 0.00 39.78 36.11 1vja n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1vja s ASP 102 N -4.32 7.01 -0.04 6.41 2.15 -1.26 -4.44 116.67 122.18 1vja s ASP 102 Ca 0.03 -2.85 -0.18 0.00 0.43 0.00 0.00 52.55 49.99 1vja s ASP 102 Cb -0.02 -2.43 0.03 0.00 -0.30 0.00 0.00 42.92 40.20 1vja s ASP 102 CO 0.85 -0.84 0.40 -0.51 -0.17 0.00 0.00 175.17 174.90 1vja s ILE 103 N 2.11 0.04 0.10 4.11 2.07 -1.26 -4.32 121.20 124.06 1vja s ILE 103 Ca 0.44 -0.32 -0.17 0.00 -1.41 0.00 0.00 60.65 59.19 1vja s ILE 103 Cb -0.02 -0.69 0.04 0.00 0.13 0.00 0.00 42.46 41.92 1vja s ILE 103 CO 0.01 -0.17 0.43 0.00 -1.91 0.00 0.00 174.94 173.29 1vja s ALA 104 N -1.10 -1.03 -0.02 1.50 0.00 0.18 -3.33 121.76 117.96 1vja s ALA 104 Ca -0.11 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1vja s ALA 104 Cb -0.04 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 1vja s ALA 104 CO 0.05 -0.60 -0.17 -0.51 0.00 0.00 0.00 175.76 174.53 1vja s LEU 105 N -2.56 2.00 -0.14 0.00 1.43 -0.04 -0.32 118.68 119.04 1vja s LEU 105 Ca 0.00 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1vja s LEU 105 Cb 0.01 -0.90 0.03 0.00 0.03 0.00 0.00 46.19 45.36 1vja s LEU 105 CO -0.09 0.19 -0.10 -0.76 0.23 0.00 0.00 176.35 175.82 1vja s LEU 106 N -0.28 1.51 -0.19 1.79 1.02 -0.15 -0.01 118.68 122.37 1vja s LEU 106 Ca 0.04 -0.46 -0.23 0.00 0.02 0.00 0.00 54.13 53.51 1vja s LEU 106 Cb -0.08 -1.01 -0.02 0.00 0.02 0.00 0.00 46.19 45.10 1vja s LEU 106 CO 0.00 -0.10 0.72 -0.75 0.02 0.00 0.00 176.35 176.23 1vja s LYS 107 N 1.59 4.23 0.24 1.70 2.20 0.09 -1.54 119.74 128.25 1vja s LYS 107 Ca 0.04 0.78 0.06 0.00 -0.36 0.00 0.00 55.97 56.49 1vja s LYS 107 Cb -0.13 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1vja s LYS 107 CO -0.09 -0.30 0.21 0.96 -0.36 0.00 0.00 175.35 175.77 1vja s ILE 108 N 2.09 4.57 -0.28 5.43 -4.36 -0.27 0.31 121.20 128.70 1vja s ILE 108 Ca 0.32 -1.30 -0.22 0.00 -0.26 0.00 0.00 60.65 59.20 1vja s ILE 108 Cb -0.16 -3.45 0.10 0.00 1.25 0.00 0.00 42.46 40.19 1vja s ILE 108 CO 0.11 -0.31 0.83 0.00 0.24 0.00 0.00 174.94 175.80 1vja s ARG 109 N -3.76 0.66 1.04 0.37 1.70 -0.92 -4.68 118.95 113.36 1vja s ARG 109 Ca 0.33 0.90 -0.16 0.00 -0.47 0.00 0.00 55.73 56.34 1vja s ARG 109 Cb -0.08 0.26 0.21 0.00 -0.57 0.00 0.00 34.95 34.77 1vja s ARG 109 CO 0.25 -0.10 1.16 -1.54 -1.08 0.00 0.00 175.30 173.99 1vja s SER 110 N 0.77 2.33 0.60 -2.89 1.04 0.17 -1.37 113.70 114.35 1vja s SER 110 Ca -0.03 0.73 0.39 0.00 0.48 0.00 0.00 55.95 57.52 1vja s SER 110 Cb -0.05 -1.09 1.98 0.00 0.10 0.00 0.00 66.02 66.97 1vja s SER 110 CO -0.08 -3.26 2.19 0.11 0.98 0.00 0.00 173.24 173.18 1vja h LYS 110 N -1.99 0.00 -0.01 4.02 1.57 -1.89 0.95 116.57 119.22 1vja h LYS 110 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1vja h LYS 110 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1vja h LYS 110 CO 0.46 0.00 -0.24 0.39 -0.57 0.00 0.00 179.45 179.49 1vja n GLU 110 N -3.00 0.68 -0.55 3.15 4.71 -1.26 -4.93 120.64 119.45 1vja n GLU 110 Ca -0.02 -0.36 0.00 0.00 -0.01 0.00 0.00 57.16 56.78 1vja n GLU 110 Cb 0.14 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 1vja n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1vja n GLY 110 N 1.35 0.69 3.93 0.62 0.00 0.33 -5.07 105.19 107.04 1vja n GLY 110 Ca 0.12 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 1vja n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vja s ARG 110 N -0.77 3.13 0.25 1.61 0.52 -1.26 -4.73 118.95 117.70 1vja s ARG 110 Ca 0.00 -0.98 0.03 0.00 -0.52 0.00 0.00 55.73 54.25 1vja s ARG 110 Cb 0.00 -2.74 0.04 0.00 0.52 0.00 0.00 34.95 32.77 1vja s ARG 110 CO 0.00 0.24 0.34 0.00 0.02 0.00 0.00 175.30 175.91 1vja s ALA 112 N -2.48 2.96 -0.21 0.00 0.00 -0.25 -4.85 121.76 116.93 1vja s ALA 112 Ca 0.25 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.46 1vja s ALA 112 Cb -0.02 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 1vja s ALA 112 CO 0.16 -1.18 -0.07 -0.65 0.00 0.00 0.00 175.76 174.03 1vja s GLN 113 N -2.73 3.32 0.48 0.00 -1.52 -1.26 -4.83 119.66 113.13 1vja s GLN 113 Ca 0.67 -0.65 -0.23 0.00 -1.95 0.00 0.00 55.36 53.19 1vja s GLN 113 Cb -0.39 -2.94 -0.08 0.00 -0.22 0.00 0.00 33.01 29.38 1vja s GLN 113 CO 0.47 -0.19 1.27 -2.30 -0.25 0.00 0.00 175.29 174.29 1vja n PRO 114 N 4.75 1.74 -0.96 2.91 -0.02 -1.26 -4.85 135.00 137.32 1vja n PRO 114 Ca -0.19 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1vja n PRO 114 Cb 0.51 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1vja n PRO 114 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1vja n SER 115 N -0.31 0.00 0.25 2.55 3.41 -0.44 -4.96 113.62 114.12 1vja n SER 115 Ca 0.09 -0.87 0.14 0.00 -0.26 0.00 0.00 58.87 57.96 1vja n SER 115 Cb 0.42 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.89 1vja n SER 115 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1vja h ARG 116 N 0.00 0.00 -0.15 4.33 2.43 -1.99 -3.13 114.38 115.87 1vja h ARG 116 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1vja h ARG 116 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1vja h ARG 116 CO 0.00 0.07 0.00 0.25 -1.51 0.00 0.00 179.97 178.78 1vja n THR 117 N -3.18 0.50 -3.55 0.20 -2.24 -1.26 -4.73 114.28 100.03 1vja n THR 117 Ca 0.01 -0.75 -0.24 0.00 -2.27 0.00 0.00 64.05 60.80 1vja n THR 117 Cb 0.39 0.85 -0.15 0.00 -2.10 0.00 0.00 70.33 69.32 1vja n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1vja s ILE 118 N -0.88 -0.17 0.07 2.28 1.01 -1.18 -3.68 121.20 118.65 1vja s ILE 118 Ca 0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 1vja s ILE 118 Cb 0.09 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 1vja s ILE 118 CO 0.12 -0.39 0.05 -1.10 0.00 0.00 0.00 174.94 173.63 1vja s GLN 119 N 2.19 0.72 0.50 2.79 -0.21 -0.42 -1.32 119.66 123.91 1vja s GLN 119 Ca 0.06 -1.15 -0.05 0.00 0.02 0.00 0.00 55.36 54.24 1vja s GLN 119 Cb -0.16 0.26 -0.02 0.00 1.00 0.00 0.00 33.01 34.09 1vja s GLN 119 CO -0.19 -0.18 0.80 0.95 -2.12 0.00 0.00 175.29 174.55 1vja s THR 120 N -3.91 4.47 -0.05 -0.19 -4.23 -1.26 -3.23 115.64 107.24 1vja s THR 120 Ca 0.08 0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.69 1vja s THR 120 Cb 0.07 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.19 1vja s THR 120 CO -0.09 -0.68 -0.25 -0.51 -0.54 0.00 0.00 174.62 172.55 1vja s ILE 121 N -2.78 2.08 0.46 2.99 1.10 -0.39 -4.85 121.20 119.81 1vja s ILE 121 Ca 0.49 -1.06 -0.23 0.00 -0.51 0.00 0.00 60.65 59.33 1vja s ILE 121 Cb -0.10 -1.75 -0.07 0.00 0.15 0.00 0.00 42.46 40.69 1vja s ILE 121 CO 0.44 0.57 1.20 -0.44 -2.11 0.00 0.00 174.94 174.60 1vja s SER 122 N -0.24 6.12 0.34 4.50 0.01 -1.25 -4.57 113.70 118.62 1vja s SER 122 Ca -0.01 2.39 -0.08 0.00 1.31 0.00 0.00 55.95 59.56 1vja s SER 122 Cb -0.13 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.43 1vja s SER 122 CO 0.03 -0.96 0.66 -0.76 0.41 0.00 0.00 173.24 172.62 1vja s LEU 123 N -2.96 3.96 1.04 2.44 1.43 -1.26 -1.03 118.68 122.30 1vja s LEU 123 Ca 0.63 0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 54.51 1vja s LEU 123 Cb -0.31 -3.78 0.21 0.00 0.03 0.00 0.00 46.19 42.34 1vja s LEU 123 CO 0.38 -0.28 1.18 -2.84 0.23 0.00 0.00 176.35 175.02 1vja s PRO 124 N -3.62 0.08 0.23 1.29 0.02 -1.26 -4.84 135.00 126.90 1vja s PRO 124 Ca 0.48 -0.04 0.03 0.00 0.02 0.00 0.00 61.00 61.48 1vja s PRO 124 Cb -0.11 -1.75 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 1vja s PRO 124 CO 0.30 -2.85 0.38 -1.12 -0.33 0.00 0.00 177.00 173.38 1vja s SER 125 N -4.21 6.33 -0.30 2.53 0.01 -1.26 -4.94 113.70 111.86 1vja s SER 125 Ca 0.69 0.21 -0.42 0.00 1.31 0.00 0.00 55.95 57.75 1vja s SER 125 Cb -0.10 -1.92 -0.17 0.00 0.21 0.00 0.00 66.02 64.04 1vja s SER 125 CO 0.54 -0.08 1.63 0.23 0.41 0.00 0.00 173.24 175.98 1vja n MET 126 N -1.17 0.75 -4.19 12.44 2.81 -1.26 -1.56 117.12 124.94 1vja n MET 126 Ca -0.07 0.27 -0.36 0.00 -1.81 0.00 0.00 57.70 55.74 1vja n MET 126 Cb 0.56 -1.89 -0.05 0.00 -0.71 0.00 0.00 33.22 31.13 1vja n MET 126 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1vja n TYR 127 N 4.53 -1.36 -3.49 2.03 0.53 -1.24 -4.91 117.16 113.25 1vja n TYR 127 Ca 0.27 0.45 -0.27 0.00 -1.02 0.00 0.00 57.90 57.32 1vja n TYR 127 Cb 0.07 -2.91 -0.10 0.00 -1.03 0.00 0.00 39.34 35.37 1vja n TYR 127 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1vja n ASN 128 N -2.66 0.40 -4.84 7.72 5.15 -0.60 -5.12 115.26 115.30 1vja n ASN 128 Ca -0.25 -2.60 -0.21 0.00 -0.60 0.00 0.00 54.58 50.92 1vja n ASN 128 Cb 0.65 -0.60 -0.04 0.00 -0.53 0.00 0.00 39.78 39.26 1vja n ASN 128 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1vja s ASP 129 N -0.40 5.46 0.80 1.20 1.01 -1.26 -4.33 116.67 119.14 1vja s ASP 129 Ca 0.31 -0.34 -0.12 0.00 0.71 0.00 0.00 52.55 53.11 1vja s ASP 129 Cb 0.03 -1.23 0.08 0.00 1.01 0.00 0.00 42.92 42.81 1vja s ASP 129 CO -0.18 -0.18 1.13 -2.84 0.21 0.00 0.00 175.17 173.30 1vja s PRO 130 N -3.92 1.90 0.60 8.23 0.02 -1.26 -4.97 135.00 135.60 1vja s PRO 130 Ca 0.37 1.42 -0.18 0.00 0.02 0.00 0.00 61.00 62.63 1vja s PRO 130 Cb -0.07 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 1vja s PRO 130 CO 0.26 -1.95 1.13 -0.65 -0.33 0.00 0.00 177.00 175.47 1vja s GLN 131 N -4.55 3.05 0.43 5.54 -1.52 -1.26 -4.95 119.66 116.41 1vja s GLN 131 Ca 0.66 1.56 -0.25 0.00 -1.95 0.00 0.00 55.36 55.38 1vja s GLN 131 Cb -0.21 -1.97 -0.08 0.00 -0.22 0.00 0.00 33.01 30.53 1vja s GLN 131 CO 0.53 -1.08 1.29 -0.06 -0.25 0.00 0.00 175.29 175.72 1vja s PHE 132 N -1.97 2.75 0.00 0.91 0.40 -1.26 -2.14 117.98 116.67 1vja s PHE 132 Ca 0.71 1.42 0.00 0.00 -0.60 0.00 0.00 56.93 58.46 1vja s PHE 132 Cb -0.24 -3.65 0.00 0.00 0.51 0.00 0.00 43.02 39.65 1vja s PHE 132 CO 0.34 -2.13 0.00 0.41 0.70 0.00 0.00 175.22 174.54 1vja n GLY 133 N 0.64 1.29 3.76 4.36 0.00 0.17 -4.98 105.19 110.43 1vja n GLY 133 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1vja n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vja s THR 134 N -2.30 3.21 0.03 2.61 2.01 -0.91 -4.64 115.64 115.64 1vja s THR 134 Ca 0.00 1.19 -0.23 0.00 0.31 0.00 0.00 61.69 62.96 1vja s THR 134 Cb 0.00 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 1vja s THR 134 CO 0.00 0.27 0.68 -0.44 -0.69 0.00 0.00 174.62 174.44 1vja s SER 135 N -0.61 7.11 0.14 3.53 0.01 -1.26 -1.27 113.70 121.34 1vja s SER 135 Ca 0.47 1.32 0.01 0.00 1.31 0.00 0.00 55.95 59.06 1vja s SER 135 Cb -0.35 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 1vja s SER 135 CO 0.45 0.07 -0.00 0.00 0.41 0.00 0.00 173.24 174.17 1vja s GLU 137 N -3.93 2.20 0.08 0.00 -1.05 0.43 -1.17 118.70 115.26 1vja s GLU 137 Ca 0.20 -1.13 0.06 0.00 -0.15 0.00 0.00 54.97 53.96 1vja s GLU 137 Cb 0.06 -2.28 -0.03 0.00 -0.44 0.00 0.00 34.13 31.44 1vja s GLU 137 CO 0.01 0.47 -0.16 0.96 0.95 0.00 0.00 175.26 177.48 1vja s ILE 138 N -1.55 1.30 0.02 1.83 -4.36 -0.70 -0.29 121.20 117.46 1vja s ILE 138 Ca 0.25 -1.39 0.01 0.00 -0.26 0.00 0.00 60.65 59.26 1vja s ILE 138 Cb -0.10 -1.24 -0.01 0.00 1.25 0.00 0.00 42.46 42.36 1vja s ILE 138 CO 0.16 -0.18 -0.05 -0.89 0.24 0.00 0.00 174.94 174.22 1vja s THR 139 N -1.27 0.34 0.00 8.37 2.01 -1.24 -1.95 115.64 121.90 1vja s THR 139 Ca 0.01 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1vja s THR 139 Cb -0.10 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.03 1vja s THR 139 CO 0.03 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 1vja n GLY 140 N 2.13 0.74 1.84 4.40 0.00 -0.68 -4.47 105.19 109.16 1vja n GLY 140 Ca -0.19 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.02 1vja n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vja n PHE 141 N -0.19 2.11 -1.17 1.61 3.72 -1.26 -2.21 117.46 120.08 1vja n PHE 141 Ca 0.00 -0.93 -0.29 0.00 -0.05 0.00 0.00 57.45 56.19 1vja n PHE 141 Cb 0.00 -0.56 0.17 0.00 -0.94 0.00 0.00 39.48 38.15 1vja n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1vja s GLY 142 N -1.01 1.58 0.50 1.37 0.00 -1.24 -4.07 107.32 104.45 1vja s GLY 142 Ca 0.54 -0.30 -0.21 0.00 0.00 0.00 0.00 44.72 44.74 1vja s GLY 142 CO 0.14 0.29 0.95 0.28 0.00 0.00 0.00 173.10 174.76 1vja n LYS 143 N -4.13 1.12 0.02 2.90 5.02 -0.29 -2.29 118.16 120.51 1vja n LYS 143 Ca 0.05 0.41 0.11 0.00 -2.02 0.00 0.00 58.31 56.87 1vja n LYS 143 Cb 0.57 -2.07 0.06 0.00 -0.02 0.00 0.00 35.03 33.57 1vja n LYS 143 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1vja n GLU 144 N -0.30 0.22 -3.65 1.97 1.02 -1.26 -0.91 120.64 117.72 1vja n GLU 144 Ca 0.11 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 1vja n GLU 144 Cb 0.43 -1.58 -0.08 0.00 -0.02 0.00 0.00 31.44 30.19 1vja n GLU 144 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1vja s ASN 145 N -3.73 -0.53 0.45 1.62 3.84 -1.26 -4.30 114.94 111.03 1vja s ASN 145 Ca 0.05 0.82 0.16 0.00 0.21 0.00 0.00 52.86 54.10 1vja s ASN 145 Cb 0.15 0.82 1.09 0.00 -0.55 0.00 0.00 41.25 42.76 1vja s ASN 145 CO 0.78 -0.36 1.97 0.28 -2.79 0.00 0.00 177.10 176.99 1vja h SER 146 N 4.36 0.32 0.99 -4.21 0.02 -1.91 -1.82 113.55 111.30 1vja h SER 146 Ca -0.28 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1vja h SER 146 Cb 1.16 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1vja h SER 146 CO 0.26 0.18 -0.06 0.35 -1.14 0.00 0.00 176.83 176.43 1vja n THR 147 N -4.46 0.06 -2.06 -2.27 -2.24 -1.26 -4.88 114.28 97.17 1vja n THR 147 Ca 0.11 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.51 1vja n THR 147 Cb 0.43 -0.42 0.02 0.00 -2.10 0.00 0.00 70.33 68.26 1vja n THR 147 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1vja s ASP 148 N -3.17 5.44 0.00 3.42 1.01 -0.69 -4.93 116.67 117.75 1vja s ASP 148 Ca 0.13 2.15 0.03 0.00 0.71 0.00 0.00 52.55 55.57 1vja s ASP 148 Cb 0.18 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.56 1vja s ASP 148 CO 0.56 -1.41 0.59 0.00 0.21 0.00 0.00 175.17 175.12 1vja n TYR 149 N -1.71 0.00 -4.41 4.23 4.11 -1.26 -4.98 117.16 113.14 1vja n TYR 149 Ca 0.11 -0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.79 1vja n TYR 149 Cb 0.51 -0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.75 1vja n TYR 149 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1vja s LEU 150 N -0.23 2.55 0.15 -3.48 1.43 -1.26 -5.15 118.68 112.68 1vja s LEU 150 Ca 0.03 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.17 1vja s LEU 150 Cb 0.02 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1vja s LEU 150 CO 0.03 -0.03 0.23 -0.31 0.23 0.00 0.00 176.35 176.50 1vja s TYR 151 N -2.52 3.37 0.75 0.29 2.02 -1.26 -4.73 117.35 115.27 1vja s TYR 151 Ca 0.25 0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 56.89 1vja s TYR 151 Cb -0.04 -1.62 0.05 0.00 -0.40 0.00 0.00 41.96 39.95 1vja s TYR 151 CO 0.11 0.52 1.16 -1.25 -1.57 0.00 0.00 175.55 174.51 1vja s PRO 152 N -3.14 2.12 0.21 -1.71 0.04 -1.26 -4.93 135.00 126.32 1vja s PRO 152 Ca 0.33 1.55 0.19 0.00 0.04 0.00 0.00 61.00 63.11 1vja s PRO 152 Cb -0.11 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1vja s PRO 152 CO 0.27 -1.81 1.16 1.49 0.04 0.00 0.00 177.00 178.15 1vja h GLU 153 N -0.61 0.00 -6.11 4.56 4.57 -1.97 -3.43 114.58 111.59 1vja h GLU 153 Ca -0.46 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.04 1vja h GLU 153 Cb 1.27 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.70 1vja h GLU 153 CO 0.50 0.23 -0.66 -1.14 -1.18 0.00 0.00 179.01 176.76 1vja s GLN 154 N -3.09 2.82 0.50 1.92 2.00 -1.26 -0.96 119.66 121.59 1vja s GLN 154 Ca 0.01 -0.54 -0.23 0.00 -2.00 0.00 0.00 55.36 52.60 1vja s GLN 154 Cb 0.08 -2.67 -0.06 0.00 0.80 0.00 0.00 33.01 31.15 1vja s GLN 154 CO 0.77 0.66 1.39 -1.17 -0.50 0.00 0.00 175.29 176.44 1vja s LEU 155 N -1.11 3.97 0.27 3.68 2.96 -0.83 -4.89 118.68 122.73 1vja s LEU 155 Ca 0.15 2.84 0.06 0.00 -0.22 0.00 0.00 54.13 56.96 1vja s LEU 155 Cb -0.11 -4.11 -0.06 0.00 0.50 0.00 0.00 46.19 42.41 1vja s LEU 155 CO 0.05 -1.39 -0.05 -0.54 -1.32 0.00 0.00 176.35 173.10 1vja s LYS 156 N -2.69 1.52 0.07 1.98 1.02 -0.94 -1.62 119.74 119.09 1vja s LYS 156 Ca 0.67 -1.77 -0.16 0.00 0.02 0.00 0.00 55.97 54.73 1vja s LYS 156 Cb -0.42 -1.08 0.03 0.00 -0.52 0.00 0.00 37.83 35.84 1vja s LYS 156 CO 0.52 0.02 0.36 0.00 -0.92 0.00 0.00 175.35 175.32 1vja s MET 157 N -3.75 0.92 0.34 1.68 0.23 -0.30 -1.68 119.30 116.74 1vja s MET 157 Ca 0.29 -0.55 -0.13 0.00 -1.03 0.00 0.00 55.69 54.28 1vja s MET 157 Cb 0.04 0.40 0.03 0.00 -1.53 0.00 0.00 34.83 33.77 1vja s MET 157 CO 0.11 -0.32 0.65 -0.08 -2.03 0.00 0.00 175.02 173.35 1vja s THR 158 N -2.98 0.00 -0.06 3.16 -1.32 -0.82 -1.10 115.64 112.52 1vja s THR 158 Ca -0.02 -1.22 0.04 0.00 -1.21 0.00 0.00 61.69 59.28 1vja s THR 158 Cb 0.00 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 1vja s THR 158 CO -0.06 0.00 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.48 1vja s VAL 159 N -3.00 1.52 0.26 5.08 1.01 -1.26 -1.72 120.40 122.29 1vja s VAL 159 Ca 0.20 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1vja s VAL 159 Cb -0.03 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1vja s VAL 159 CO 0.13 0.44 0.05 0.68 0.00 0.00 0.00 175.10 176.39 1vja s VAL 160 N 0.23 0.89 -0.01 2.92 -7.23 -0.32 -4.79 120.40 112.09 1vja s VAL 160 Ca -0.09 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.11 1vja s VAL 160 Cb -0.14 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1vja s VAL 160 CO 0.04 -0.15 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.02 1vja s LYS 161 N -3.93 2.42 0.28 4.82 1.02 0.44 -0.86 119.74 123.95 1vja s LYS 161 Ca 0.33 -0.77 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 1vja s LYS 161 Cb 0.07 -2.38 -0.10 0.00 -0.52 0.00 0.00 37.83 34.90 1vja s LYS 161 CO 0.12 0.60 1.27 -0.51 -0.92 0.00 0.00 175.35 175.90 1vja s LEU 162 N -1.15 4.45 -0.05 3.17 1.02 -0.40 -1.36 118.68 124.36 1vja s LEU 162 Ca 0.14 2.53 0.04 0.00 0.02 0.00 0.00 54.13 56.86 1vja s LEU 162 Cb -0.11 -3.63 -0.03 0.00 0.02 0.00 0.00 46.19 42.44 1vja s LEU 162 CO 0.04 -0.45 -0.14 -0.63 0.02 0.00 0.00 176.35 175.19 1vja s ILE 163 N -0.80 3.05 0.75 -0.59 1.01 -0.09 -0.65 121.20 123.88 1vja s ILE 163 Ca 0.50 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 1vja s ILE 163 Cb -0.37 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 39.95 1vja s ILE 163 CO 0.46 0.58 1.13 -0.94 0.00 0.00 0.00 174.94 176.17 1vja s SER 164 N -0.76 4.37 0.29 3.58 1.04 -1.26 -4.22 113.70 116.74 1vja s SER 164 Ca 0.12 2.03 -0.01 0.00 0.48 0.00 0.00 55.95 58.57 1vja s SER 164 Cb -0.11 -2.55 0.44 0.00 0.10 0.00 0.00 66.02 63.90 1vja s SER 164 CO 0.01 -2.13 1.85 -0.74 0.98 0.00 0.00 173.24 173.21 1vja h HIS 165 N -0.75 0.84 -0.29 5.02 2.76 -1.96 -1.85 115.15 118.92 1vja h HIS 165 Ca -0.45 -0.06 0.04 0.00 -2.20 0.00 0.00 60.37 57.70 1vja h HIS 165 Cb 1.25 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.92 1vja h HIS 165 CO 0.54 0.68 0.05 -0.09 -1.30 0.00 0.00 177.93 177.80 1vja h ARG 166 N 0.80 0.15 -0.32 5.26 2.43 -1.97 -0.18 114.38 120.55 1vja h ARG 166 Ca 0.18 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.21 1vja h ARG 166 Cb 0.24 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1vja h ARG 166 CO -0.01 0.10 -0.33 1.49 -1.51 0.00 0.00 179.97 179.71 1vja h GLU 167 N 0.15 0.78 0.00 0.20 4.81 -1.87 -3.11 114.58 115.55 1vja h GLU 167 Ca 0.14 -0.42 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1vja h GLU 167 Cb 0.15 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1vja h GLU 167 CO -0.19 1.05 -0.11 0.00 -0.73 0.00 0.00 179.01 179.03 1vja n GLN 169 N -3.35 1.58 -1.46 0.00 7.27 -0.10 -1.97 117.38 119.36 1vja n GLN 169 Ca -0.01 -0.87 -0.33 0.00 0.07 0.00 0.00 57.00 55.86 1vja n GLN 169 Cb 0.30 -1.37 0.08 0.00 2.41 0.00 0.00 30.24 31.66 1vja n GLN 169 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1vja s GLN 170 N -1.83 2.32 0.25 3.69 -1.52 -0.88 -3.54 119.66 118.15 1vja s GLN 170 Ca 0.31 1.47 -0.04 0.00 -1.95 0.00 0.00 55.36 55.15 1vja s GLN 170 Cb 0.16 -1.88 0.38 0.00 -0.22 0.00 0.00 33.01 31.45 1vja s GLN 170 CO 0.25 -1.64 1.83 -1.35 -0.25 0.00 0.00 175.29 174.13 1vja h PRO 170 N -0.49 0.86 0.00 2.91 0.11 -1.91 -1.19 132.00 132.29 1vja h PRO 170 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1vja h PRO 170 Cb 1.26 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1vja h PRO 170 CO 0.51 0.57 0.00 0.72 -0.21 0.00 0.00 178.00 179.59 1vja n HIS 170 N -4.68 0.23 0.00 0.65 8.25 -1.26 -4.49 115.22 113.92 1vja n HIS 170 Ca 0.13 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1vja n HIS 170 Cb 0.24 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.73 1vja n HIS 170 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1vja n TYR 171 N -1.69 0.00 -0.13 4.41 4.02 -0.73 -4.78 117.16 118.25 1vja n TYR 171 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1vja n TYR 171 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 1vja n TYR 171 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1vja n TYR 172 N 0.00 0.00 -4.17 -0.72 4.01 -0.83 -4.90 117.16 110.55 1vja n TYR 172 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1vja n TYR 172 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1vja n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vja n GLY 173 N 0.03 2.04 0.00 2.72 0.00 -0.53 -2.26 105.19 107.19 1vja n GLY 173 Ca 0.00 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.68 1vja n GLY 173 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vja n SER 174 N -0.95 0.00 0.18 1.61 7.64 -1.26 -3.49 113.62 117.35 1vja n SER 174 Ca 0.00 -0.84 0.04 0.00 1.01 0.00 0.00 58.87 59.08 1vja n SER 174 Cb 0.00 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 63.53 1vja n SER 174 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1vja h GLU 175 N 0.00 0.00 -5.82 1.43 5.08 -1.85 -3.42 114.58 110.00 1vja h GLU 175 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1vja h GLU 175 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1vja h GLU 175 CO 0.00 0.41 0.03 0.14 -1.00 0.00 0.00 179.01 178.59 1vja s VAL 176 N -3.78 5.08 0.56 3.13 -7.23 -1.23 -4.75 120.40 112.19 1vja s VAL 176 Ca -0.01 1.21 0.06 0.00 -1.81 0.00 0.00 61.98 61.43 1vja s VAL 176 Cb 0.12 -3.94 0.06 0.00 0.56 0.00 0.00 36.38 33.18 1vja s VAL 176 CO 0.70 0.23 0.48 0.35 -0.31 0.00 0.00 175.10 176.56 1vja n THR 177 N 4.04 0.00 1.14 5.32 -2.24 -1.26 -4.94 114.28 116.34 1vja n THR 177 Ca -0.03 -2.15 0.12 0.00 -2.27 0.00 0.00 64.05 59.72 1vja n THR 177 Cb 0.51 -0.11 0.62 0.00 -2.10 0.00 0.00 70.33 69.24 1vja n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vja n THR 178 N -1.88 0.22 0.63 4.28 -2.24 -1.26 -2.13 114.28 111.90 1vja n THR 178 Ca 0.01 0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.93 1vja n THR 178 Cb 0.62 -0.64 0.23 0.00 -2.10 0.00 0.00 70.33 68.44 1vja n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1vja n LYS 179 N -1.31 2.03 -4.35 -0.78 5.02 -1.26 -4.88 118.16 112.64 1vja n LYS 179 Ca 0.11 -1.60 -0.19 0.00 -2.02 0.00 0.00 58.31 54.61 1vja n LYS 179 Cb 0.21 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 1vja n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1vja s MET 180 N -1.45 1.35 -0.04 1.97 -1.94 -0.91 -1.23 119.30 117.05 1vja s MET 180 Ca 0.31 -1.59 0.02 0.00 -1.71 0.00 0.00 55.69 52.72 1vja s MET 180 Cb 0.16 -1.16 0.01 0.00 2.01 0.00 0.00 34.83 35.86 1vja s MET 180 CO 0.22 0.20 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.84 1vja s LEU 181 N -3.30 1.58 -0.05 -0.03 1.43 0.40 -4.76 118.68 113.95 1vja s LEU 181 Ca 0.23 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1vja s LEU 181 Cb -0.01 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 1vja s LEU 181 CO 0.07 0.01 0.16 0.00 0.23 0.00 0.00 176.35 176.82 1vja s ALA 183 N -1.20 -0.90 0.29 0.00 0.00 -0.55 -0.91 121.76 118.48 1vja s ALA 183 Ca 0.22 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 52.93 1vja s ALA 183 Cb -0.12 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.51 1vja s ALA 183 CO 0.13 -0.18 0.76 0.00 0.00 0.00 0.00 175.76 176.46 1vja s ALA 184 N 0.01 -1.18 -0.15 0.00 0.00 -0.46 -0.95 121.76 119.03 1vja s ALA 184 Ca -0.02 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 1vja s ALA 184 Cb -0.03 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1vja s ALA 184 CO 0.01 -1.03 0.60 0.34 0.00 0.00 0.00 175.76 175.67 1vja s ASP 185 N -2.96 6.74 0.64 0.00 2.15 -1.25 -0.42 116.67 121.57 1vja s ASP 185 Ca 0.12 0.90 0.30 0.00 0.43 0.00 0.00 52.55 54.30 1vja s ASP 185 Cb -0.05 -2.34 1.65 0.00 -0.30 0.00 0.00 42.92 41.87 1vja s ASP 185 CO 0.07 -0.16 1.97 1.55 -0.17 0.00 0.00 175.17 178.44 1vja h PRO 185 N 7.11 0.00 -0.00 4.34 0.13 -1.94 0.34 132.00 141.97 1vja h PRO 185 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1vja h PRO 185 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1vja h PRO 185 CO 0.76 0.00 -0.63 1.04 -0.23 0.00 0.00 178.00 178.95 1vja n GLN 185 N -3.23 0.39 -2.96 0.86 6.02 -1.26 -4.96 117.38 112.23 1vja n GLN 185 Ca 0.01 -0.28 -0.20 0.00 -0.01 0.00 0.00 57.00 56.52 1vja n GLN 185 Cb 0.42 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 30.22 1vja n GLN 185 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1vja n TRP 186 N -1.06 -1.79 -0.08 1.08 7.02 0.12 -4.91 117.44 117.81 1vja n TRP 186 Ca 0.07 0.49 -0.07 0.00 -1.02 0.00 0.00 57.50 56.97 1vja n TRP 186 Cb 0.36 -4.14 -0.13 0.00 -2.42 0.00 0.00 31.31 24.98 1vja n TRP 186 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1vja n LYS 187 N -3.70 1.24 -4.31 -0.99 4.76 -1.26 -4.66 118.16 109.23 1vja n LYS 187 Ca -0.09 -0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.08 1vja n LYS 187 Cb 0.60 -1.43 -0.13 0.00 -1.84 0.00 0.00 35.03 32.24 1vja n LYS 187 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1vja s THR 188 N -2.45 1.85 0.01 -0.18 -1.32 -1.26 -4.44 115.64 107.85 1vja s THR 188 Ca -0.08 -1.62 -0.29 0.00 -1.21 0.00 0.00 61.69 58.49 1vja s THR 188 Cb 0.05 -1.68 0.11 0.00 -1.51 0.00 0.00 72.50 69.47 1vja s THR 188 CO 0.69 -0.04 1.25 -0.62 -2.21 0.00 0.00 174.62 173.68 1vja s ASP 189 N -2.00 -0.04 0.52 8.08 2.15 -1.07 -3.97 116.67 120.34 1vja s ASP 189 Ca 0.09 -0.21 -0.02 0.00 0.43 0.00 0.00 52.55 52.83 1vja s ASP 189 Cb -0.10 0.20 0.01 0.00 -0.30 0.00 0.00 42.92 42.73 1vja s ASP 189 CO 0.05 -0.39 0.77 -0.94 -0.17 0.00 0.00 175.17 174.50 1vja s SER 190 N -3.26 5.64 0.22 -0.34 1.04 -1.26 -0.28 113.70 115.45 1vja s SER 190 Ca 0.19 0.40 -0.04 0.00 0.48 0.00 0.00 55.95 56.98 1vja s SER 190 Cb 0.02 -1.49 0.02 0.00 0.10 0.00 0.00 66.02 64.67 1vja s SER 190 CO -0.02 -0.92 0.36 0.00 0.98 0.00 0.00 173.24 173.65 1vja n GLN 192 N -0.34 1.67 0.00 0.00 6.02 -1.26 -1.08 117.38 122.39 1vja n GLN 192 Ca -0.02 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 1vja n GLN 192 Cb 0.36 -2.08 0.00 0.00 1.02 0.00 0.00 30.24 29.54 1vja n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vja n GLY 193 N 1.31 2.81 0.23 1.08 0.00 -1.26 -1.14 105.19 108.22 1vja n GLY 193 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1vja n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vja n ASP 194 N 0.00 1.15 -4.57 1.61 8.00 -0.24 -3.70 116.55 118.80 1vja n ASP 194 Ca 0.00 -0.92 -0.44 0.00 0.71 0.00 0.00 54.79 54.14 1vja n ASP 194 Cb 0.00 0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 1vja n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1vja n SER 195 N -0.74 0.96 0.00 -2.24 7.64 -1.26 -1.61 113.62 116.36 1vja n SER 195 Ca 0.10 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1vja n SER 195 Cb 0.37 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1vja n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vja n GLY 196 N 1.31 3.06 3.61 0.23 0.00 -0.17 -1.15 105.19 112.08 1vja n GLY 196 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1vja n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vja s GLY 197 N -1.62 1.56 0.14 -0.02 0.00 -0.63 -3.31 107.32 103.43 1vja s GLY 197 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 44.72 44.33 1vja s GLY 197 CO 0.00 0.36 0.46 2.56 0.00 0.00 0.00 173.10 176.48 1vja s PRO 198 N -4.80 3.79 -0.37 2.90 0.04 -1.26 -1.04 135.00 134.25 1vja s PRO 198 Ca 0.66 0.22 -0.04 0.00 0.04 0.00 0.00 61.00 61.88 1vja s PRO 198 Cb -0.21 -2.87 0.08 0.00 0.04 0.00 0.00 34.50 31.54 1vja s PRO 198 CO 0.60 0.47 0.15 -1.17 0.04 0.00 0.00 177.00 177.09 1vja s LEU 199 N -2.26 4.75 -0.17 -3.56 2.96 0.06 -3.59 118.68 116.86 1vja s LEU 199 Ca 0.39 -1.60 -0.08 0.00 -0.22 0.00 0.00 54.13 52.63 1vja s LEU 199 Cb -0.13 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1vja s LEU 199 CO 0.20 -0.44 0.08 -0.69 -1.32 0.00 0.00 176.35 174.19 1vja s VAL 200 N 1.27 5.00 0.01 1.68 1.01 0.60 -1.47 120.40 128.49 1vja s VAL 200 Ca 0.02 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1vja s VAL 200 Cb -0.22 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1vja s VAL 200 CO -0.01 0.49 -0.16 0.00 0.00 0.00 0.00 175.10 175.42 1vja s SER 202 N -0.71 6.61 -0.33 0.00 0.15 -1.26 -0.65 113.70 117.51 1vja s SER 202 Ca 0.05 0.41 -0.03 0.00 0.70 0.00 0.00 55.95 57.08 1vja s SER 202 Cb -0.07 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.77 1vja s SER 202 CO 0.00 -1.21 0.06 -0.22 1.20 0.00 0.00 173.24 173.08 1vja s LEU 203 N 4.32 4.28 -1.28 3.45 0.20 0.11 -4.64 118.68 125.12 1vja s LEU 203 Ca 0.46 -1.43 -0.02 0.00 0.69 0.00 0.00 54.13 53.83 1vja s LEU 203 Cb -0.08 -1.76 0.01 0.00 -0.43 0.00 0.00 46.19 43.93 1vja s LEU 203 CO 0.31 -0.34 0.89 0.00 -0.29 0.00 0.00 176.35 176.92 1vja n GLN 204 N 4.65 -5.96 -0.19 1.98 6.02 -1.26 -2.07 117.38 120.54 1vja n GLN 204 Ca -0.10 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 1vja n GLN 204 Cb 0.43 -5.55 0.00 0.00 1.02 0.00 0.00 30.24 26.14 1vja n GLN 204 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vja n GLY 205 N -1.44 2.49 3.49 1.08 0.00 -1.26 -5.02 105.19 104.53 1vja n GLY 205 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1vja n GLY 205 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vja s ARG 206 N -0.05 2.60 -0.21 1.61 3.52 -0.88 -5.07 118.95 120.47 1vja s ARG 206 Ca 0.00 -0.66 -0.29 0.00 -0.13 0.00 0.00 55.73 54.64 1vja s ARG 206 Cb 0.00 -2.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.94 1vja s ARG 206 CO 0.00 0.61 1.42 -1.64 -0.81 0.00 0.00 175.30 174.88 1vja s MET 207 N -0.69 4.00 0.00 5.12 -1.94 -1.26 0.09 119.30 124.61 1vja s MET 207 Ca 0.11 1.58 0.08 0.00 -1.71 0.00 0.00 55.69 55.75 1vja s MET 207 Cb -0.11 -3.90 -0.02 0.00 2.01 0.00 0.00 34.83 32.81 1vja s MET 207 CO 0.01 -1.02 -0.26 0.99 -0.01 0.00 0.00 175.02 174.73 1vja s THR 208 N 4.32 2.07 -0.94 2.05 2.01 0.17 -3.77 115.64 121.56 1vja s THR 208 Ca 0.62 -1.21 -0.24 0.00 0.31 0.00 0.00 61.69 61.18 1vja s THR 208 Cb -0.22 -1.74 0.05 0.00 0.01 0.00 0.00 72.50 70.60 1vja s THR 208 CO 0.23 0.50 1.38 -0.22 -0.69 0.00 0.00 174.62 175.82 1vja s LEU 209 N -0.84 3.53 -0.00 4.42 1.98 -0.20 -1.55 118.68 126.03 1vja s LEU 209 Ca 0.11 -1.23 -0.02 0.00 -2.89 0.00 0.00 54.13 50.10 1vja s LEU 209 Cb -0.10 -2.55 -0.27 0.00 0.66 0.00 0.00 46.19 43.93 1vja s LEU 209 CO 0.00 -1.56 0.84 0.74 -1.89 0.00 0.00 176.35 174.48 1vja h THR 210 N 6.54 1.13 -4.12 3.68 2.02 -1.58 -3.38 112.91 117.20 1vja h THR 210 Ca 0.07 -2.79 -0.15 0.00 0.77 0.00 0.00 66.41 64.31 1vja h THR 210 Cb 1.02 2.73 -0.12 0.00 -1.74 0.00 0.00 68.15 70.04 1vja h THR 210 CO 1.37 0.80 -0.37 -0.83 0.37 0.00 0.00 175.52 176.86 1vja s GLY 211 N -4.98 0.96 -0.08 2.16 0.00 -0.82 -2.75 107.32 101.80 1vja s GLY 211 Ca -0.09 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.38 1vja s GLY 211 CO 0.85 -1.01 -0.15 -0.42 0.00 0.00 0.00 173.10 172.36 1vja s ILE 212 N -4.08 1.38 0.04 0.90 1.01 -1.07 -0.76 121.20 118.63 1vja s ILE 212 Ca 0.30 -0.61 -0.32 0.00 0.00 0.00 0.00 60.65 60.02 1vja s ILE 212 Cb 0.03 -1.25 -0.11 0.00 0.01 0.00 0.00 42.46 41.14 1vja s ILE 212 CO 0.10 0.41 1.86 0.52 0.00 0.00 0.00 174.94 177.83 1vja n VAL 213 N 3.90 0.50 0.06 2.92 0.31 -0.21 -1.34 118.33 124.46 1vja n VAL 213 Ca -0.21 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1vja n VAL 213 Cb 0.52 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 1vja n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1vja n SER 214 N 6.19 0.66 -3.55 4.52 2.88 -1.00 -1.00 113.62 122.31 1vja n SER 214 Ca 0.20 0.17 -0.09 0.00 -1.33 0.00 0.00 58.87 57.81 1vja n SER 214 Cb 0.35 -0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 63.65 1vja n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1vja s TRP 215 N -1.78 0.26 0.00 0.66 1.48 -0.92 -4.93 118.94 113.71 1vja s TRP 215 Ca 0.00 -0.72 0.00 0.00 -1.06 0.00 0.00 56.10 54.32 1vja s TRP 215 Cb 0.00 0.46 0.00 0.00 -1.16 0.00 0.00 33.47 32.77 1vja s TRP 215 CO 0.00 -1.24 0.00 0.41 -4.06 0.00 0.00 176.95 172.06 1vja n GLY 216 N -0.47 1.61 3.63 3.67 0.00 -1.26 0.04 105.19 112.41 1vja n GLY 216 Ca -0.04 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1vja n GLY 216 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vja s ARG 217 N -2.00 4.01 2.91 1.61 6.06 -1.26 -4.86 118.95 125.43 1vja s ARG 217 Ca 0.00 0.89 0.00 0.00 -2.50 0.00 0.00 55.73 54.12 1vja s ARG 217 Cb 0.00 -3.74 0.00 0.00 0.06 0.00 0.00 34.95 31.27 1vja s ARG 217 CO 0.00 -0.85 0.00 0.41 -2.50 0.00 0.00 175.30 172.36 1vja n GLY 219 N 4.01 0.89 2.76 8.12 0.00 -1.26 -4.60 105.19 115.12 1vja n GLY 219 Ca 0.09 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1vja n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vja n ALA 221 N 4.70 -0.73 -2.43 0.00 0.00 -1.26 -4.89 120.51 115.90 1vja n ALA 221 Ca -0.15 0.22 -0.38 0.00 0.00 0.00 0.00 53.44 53.12 1vja n ALA 221 Cb 0.50 -2.96 -0.06 0.00 0.00 0.00 0.00 19.45 16.94 1vja n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vja s LEU 222 N -5.51 4.47 0.26 0.00 1.43 -1.26 -4.73 118.68 113.34 1vja s LEU 222 Ca 0.18 1.05 -0.31 0.00 -1.03 0.00 0.00 54.13 54.03 1vja s LEU 222 Cb -0.08 -2.75 -0.12 0.00 0.03 0.00 0.00 46.19 43.26 1vja s LEU 222 CO 0.22 0.29 1.53 1.17 0.23 0.00 0.00 176.35 179.79 1vja n LYS 223 N 1.66 2.43 -1.21 1.70 4.81 -1.26 -1.88 118.16 124.41 1vja n LYS 223 Ca -0.12 0.86 -0.07 0.00 -0.87 0.00 0.00 58.31 58.11 1vja n LYS 223 Cb 0.52 -2.61 -0.03 0.00 0.02 0.00 0.00 35.03 32.93 1vja n LYS 223 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1vja n ASP 223 N 2.38 -5.07 -3.66 3.14 8.00 -1.26 -4.92 116.55 115.15 1vja n ASP 223 Ca 0.11 0.18 -0.27 0.00 0.71 0.00 0.00 54.79 55.51 1vja n ASP 223 Cb 0.34 -3.20 -0.11 0.00 -0.02 0.00 0.00 41.12 38.14 1vja n ASP 223 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1vja n LYS 224 N -1.19 1.35 -0.85 -1.24 4.76 -0.79 -4.16 118.16 116.04 1vja n LYS 224 Ca -0.07 -4.05 -0.30 0.00 -2.87 0.00 0.00 58.31 51.02 1vja n LYS 224 Cb 0.44 -2.04 0.17 0.00 -1.84 0.00 0.00 35.03 31.75 1vja n LYS 224 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1vja s PRO 225 N -1.10 0.80 0.39 1.97 0.02 -1.26 -4.38 135.00 131.44 1vja s PRO 225 Ca 0.29 1.18 -0.23 0.00 0.02 0.00 0.00 61.00 62.26 1vja s PRO 225 Cb 0.01 -1.73 -0.10 0.00 0.02 0.00 0.00 34.50 32.70 1vja s PRO 225 CO -0.16 -2.66 0.97 0.20 -0.33 0.00 0.00 177.00 175.02 1vja s GLY 226 N -2.90 2.62 -0.11 0.52 0.00 -0.13 -4.55 107.32 102.77 1vja s GLY 226 Ca 0.66 0.52 0.01 0.00 0.00 0.00 0.00 44.72 45.91 1vja s GLY 226 CO 0.59 0.89 -0.15 0.14 0.00 0.00 0.00 173.10 174.57 1vja s VAL 227 N -1.85 2.90 0.09 1.40 1.01 0.11 -1.49 120.40 122.57 1vja s VAL 227 Ca 0.57 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.91 1vja s VAL 227 Cb -0.16 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1vja s VAL 227 CO 0.20 0.54 -0.25 -0.31 0.00 0.00 0.00 175.10 175.29 1vja s TYR 228 N 0.14 2.14 0.08 5.22 1.51 0.15 -2.16 117.35 124.42 1vja s TYR 228 Ca -0.08 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.28 1vja s TYR 228 Cb -0.15 -1.22 -0.07 0.00 -0.11 0.00 0.00 41.96 40.41 1vja s TYR 228 CO 0.05 0.21 1.46 0.99 -1.11 0.00 0.00 175.55 177.15 1vja s THR 229 N -0.96 3.30 -0.88 -0.71 2.01 -0.45 -0.45 115.64 117.50 1vja s THR 229 Ca 0.11 0.85 -0.25 0.00 0.31 0.00 0.00 61.69 62.71 1vja s THR 229 Cb -0.10 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 68.90 1vja s THR 229 CO 0.04 0.03 1.41 -0.60 -0.69 0.00 0.00 174.62 174.81 1vja s ARG 230 N 1.77 3.36 0.28 4.92 3.52 -0.36 -2.58 118.95 129.86 1vja s ARG 230 Ca 0.67 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 55.62 1vja s ARG 230 Cb -0.36 -4.82 0.60 0.00 -1.56 0.00 0.00 34.95 28.81 1vja s ARG 230 CO 0.30 -2.24 1.80 0.28 -0.81 0.00 0.00 175.30 174.63 1vja h VAL 231 N 6.49 0.82 0.00 7.11 2.07 -1.82 -1.66 116.25 129.26 1vja h VAL 231 Ca -0.02 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1vja h VAL 231 Cb 1.03 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1vja h VAL 231 CO 1.35 0.16 0.07 0.77 0.02 0.00 0.00 177.57 179.94 1vja h SER 232 N 0.86 0.00 -0.01 0.57 4.64 -1.86 0.22 113.55 117.97 1vja h SER 232 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1vja h SER 232 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1vja h SER 232 CO -0.32 0.00 -0.08 1.57 -0.87 0.00 0.00 176.83 177.14 1vja n HIS 233 N -2.34 0.00 -0.33 4.77 -0.00 -0.62 -3.67 115.22 113.03 1vja n HIS 233 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.74 1vja n HIS 233 Cb 0.10 -0.01 0.08 0.00 -0.00 0.00 0.00 29.99 30.16 1vja n HIS 233 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1vja n PHE 234 N 0.76 0.16 -0.24 1.57 3.01 0.06 -4.76 117.46 118.03 1vja n PHE 234 Ca 0.15 -0.63 0.03 0.00 1.01 0.00 0.00 57.45 58.01 1vja n PHE 234 Cb 0.51 -0.09 0.16 0.00 -0.01 0.00 0.00 39.48 40.05 1vja n PHE 234 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1vja h LEU 235 N 0.53 0.29 -0.33 4.37 3.38 -1.72 0.43 115.31 122.26 1vja h LEU 235 Ca 0.00 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1vja h LEU 235 Cb 0.72 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1vja h LEU 235 CO 0.02 0.13 0.18 -0.65 0.09 0.00 0.00 178.44 178.21 1vja h PRO 236 N 0.46 0.36 -0.63 1.13 0.11 -1.92 0.19 132.00 131.70 1vja h PRO 236 Ca 0.38 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 1vja h PRO 236 Cb 0.53 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.53 1vja h PRO 236 CO -0.36 0.24 0.34 2.35 -0.21 0.00 0.00 178.00 180.36 1vja h TRP 237 N 0.37 0.87 0.76 0.65 7.01 -1.71 -1.60 115.95 122.30 1vja h TRP 237 Ca 0.13 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 1vja h TRP 237 Cb 0.02 -0.28 0.01 0.00 -2.10 0.00 0.00 29.16 26.81 1vja h TRP 237 CO -0.08 0.63 -0.37 0.82 -2.79 0.00 0.00 178.44 176.65 1vja h ILE 238 N 0.86 0.25 -0.64 2.65 2.04 -0.44 -2.80 117.51 119.43 1vja h ILE 238 Ca 0.22 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.13 1vja h ILE 238 Cb 0.05 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.32 1vja h ILE 238 CO -0.03 0.00 0.33 0.03 0.00 0.00 0.00 178.15 178.48 1vja h ARG 239 N -1.03 0.59 -0.20 2.37 3.08 -0.91 -1.73 114.38 116.54 1vja h ARG 239 Ca -0.10 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1vja h ARG 239 Cb 0.78 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1vja h ARG 239 CO 0.17 0.39 0.04 0.66 -1.07 0.00 0.00 179.97 180.17 1vja h SER 240 N 0.61 0.26 0.79 7.04 4.64 -1.27 -2.98 113.55 122.64 1vja h SER 240 Ca 0.30 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.45 1vja h SER 240 Cb 0.23 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1vja h SER 240 CO -0.21 0.27 -1.30 0.45 -0.87 0.00 0.00 176.83 175.17 1vja h HIS 241 N 0.29 0.00 -0.12 4.77 3.86 -1.18 -3.35 115.15 119.42 1vja h HIS 241 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1vja h HIS 241 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1vja h HIS 241 CO 0.00 0.52 0.00 0.25 0.86 0.00 0.00 177.93 179.56 1vja n THR 242 N -2.90 0.15 0.00 2.45 -2.24 -0.69 -4.55 114.28 106.50 1vja n THR 242 Ca -0.08 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1vja n THR 242 Cb 0.80 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1vja n THR 242 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1vja n LYS 243 N 0.04 0.00 0.00 -0.78 5.02 -1.16 -5.07 118.16 116.21 1vja n LYS 243 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1vja n LYS 243 Cb 0.27 -0.27 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1vja n LYS 243 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97