#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4j s MET 3 N 0.00 2.44 -0.09 -0.52 1.75 -1.25 -0.61 119.30 121.01 2c4j s MET 3 Ca 0.00 -0.90 0.01 0.00 -1.25 0.00 0.00 55.69 53.55 2c4j s MET 3 Cb 0.00 -2.52 0.02 0.00 2.84 0.00 0.00 34.83 35.17 2c4j s MET 3 CO 0.00 -0.35 -0.08 0.99 -0.65 0.00 0.00 175.02 174.92 2c4j s THR 4 N 1.32 0.98 -0.29 10.11 2.01 0.38 -1.22 115.64 128.93 2c4j s THR 4 Ca 0.00 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 2c4j s THR 4 Cb -0.15 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 2c4j s THR 4 CO -0.10 0.34 0.19 -0.22 -0.69 0.00 0.00 174.62 174.15 2c4j s LEU 5 N 1.31 4.07 -0.17 4.42 2.96 -0.46 -0.72 118.68 130.08 2c4j s LEU 5 Ca -0.03 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.72 2c4j s LEU 5 Cb -0.14 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2c4j s LEU 5 CO -0.03 -0.08 0.05 -0.83 -1.32 0.00 0.00 176.35 174.14 2c4j s GLY 6 N 1.74 1.90 0.13 7.98 0.00 0.06 -0.72 107.32 118.41 2c4j s GLY 6 Ca 0.07 -0.75 -0.25 0.00 0.00 0.00 0.00 44.72 43.79 2c4j s GLY 6 CO 0.10 0.01 0.90 -0.47 0.00 0.00 0.00 173.10 173.64 2c4j s TYR 7 N 0.27 -0.21 0.84 1.90 5.04 -0.85 -1.47 117.35 122.88 2c4j s TYR 7 Ca 0.03 -0.07 -0.13 0.00 -2.44 0.00 0.00 57.07 54.46 2c4j s TYR 7 Cb -0.12 0.62 0.09 0.00 0.35 0.00 0.00 41.96 42.90 2c4j s TYR 7 CO 0.00 -0.81 1.10 0.91 -1.34 0.00 0.00 175.55 175.41 2c4j n TRP 8 N -0.42 0.88 -1.10 4.97 7.02 -1.26 -1.25 117.44 126.28 2c4j n TRP 8 Ca -0.07 0.39 -0.19 0.00 -1.02 0.00 0.00 57.50 56.61 2c4j n TRP 8 Cb 0.61 -2.05 -0.13 0.00 -2.42 0.00 0.00 31.31 27.32 2c4j n TRP 8 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2c4j n ASN 9 N -3.21 6.10 -4.14 -0.99 5.15 0.27 -4.67 115.26 113.77 2c4j n ASN 9 Ca 0.13 -2.53 -0.13 0.00 -0.60 0.00 0.00 54.58 51.45 2c4j n ASN 9 Cb 0.51 -1.44 -0.10 0.00 -0.53 0.00 0.00 39.78 38.22 2c4j n ASN 9 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2c4j s ILE 10 N 1.12 0.00 0.00 -1.44 -4.36 -1.26 -4.71 121.20 110.55 2c4j s ILE 10 Ca 0.67 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 59.04 2c4j s ILE 10 Cb 0.29 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.49 2c4j s ILE 10 CO -0.02 0.00 0.80 -0.09 0.24 0.00 0.00 174.94 175.87 2c4j h ARG 11 N 2.58 -0.09 0.00 0.37 2.43 -1.20 -3.46 114.38 115.02 2c4j h ARG 11 Ca -0.35 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2c4j h ARG 11 Cb 1.25 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2c4j h ARG 11 CO 0.52 -0.06 0.00 0.41 -1.51 0.00 0.00 179.97 179.33 2c4j n GLY 12 N -0.33 1.96 0.04 2.80 0.00 -0.19 -2.28 105.19 107.19 2c4j n GLY 12 Ca -0.01 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 45.93 2c4j n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c4j n LEU 13 N 0.00 0.12 -0.16 0.99 4.77 -1.26 -3.59 117.00 117.87 2c4j n LEU 13 Ca 0.00 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.16 2c4j n LEU 13 Cb 0.00 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2c4j n LEU 13 CO 0.00 0.02 0.23 0.00 -1.33 0.00 0.00 177.39 176.32 2c4j n ALA 14 N -1.03 3.99 0.11 -1.18 0.00 -0.97 -4.55 120.51 116.89 2c4j n ALA 14 Ca 0.20 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 2c4j n ALA 14 Cb 0.18 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 2c4j n ALA 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2c4j h HIS 15 N 0.80 -0.18 -0.67 0.00 6.17 -1.58 0.43 115.15 120.13 2c4j h HIS 15 Ca 0.00 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.05 2c4j h HIS 15 Cb 0.57 0.06 -0.03 0.00 2.52 0.00 0.00 27.41 30.53 2c4j h HIS 15 CO 0.00 -0.10 0.30 0.77 0.71 0.00 0.00 177.93 179.61 2c4j h SER 16 N -0.20 0.88 -0.06 3.26 0.02 -1.81 -1.20 113.55 114.44 2c4j h SER 16 Ca -0.02 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2c4j h SER 16 Cb 0.15 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2c4j h SER 16 CO 0.03 0.77 -0.00 0.40 -1.14 0.00 0.00 176.83 176.89 2c4j h ILE 17 N 0.96 1.25 -0.58 3.27 2.04 -1.70 -1.15 117.51 121.59 2c4j h ILE 17 Ca 0.23 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.38 2c4j h ILE 17 Cb 0.14 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 2c4j h ILE 17 CO -0.03 0.21 0.28 0.03 0.00 0.00 0.00 178.15 178.65 2c4j h ARG 18 N -0.19 0.50 -0.79 2.37 3.08 -0.68 0.52 114.38 119.19 2c4j h ARG 18 Ca 0.02 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2c4j h ARG 18 Cb 0.34 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2c4j h ARG 18 CO 0.00 0.33 0.32 -0.07 -1.07 0.00 0.00 179.97 179.49 2c4j h LEU 19 N 0.52 1.07 -0.34 3.04 3.38 -1.13 -1.25 115.31 120.61 2c4j h LEU 19 Ca 0.27 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 2c4j h LEU 19 Cb 0.23 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2c4j h LEU 19 CO -0.21 0.94 -0.52 0.25 0.09 0.00 0.00 178.44 178.99 2c4j h LEU 20 N 1.14 0.95 -0.91 1.67 5.85 -0.66 -0.26 115.31 123.10 2c4j h LEU 20 Ca 0.26 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.51 2c4j h LEU 20 Cb 0.20 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2c4j h LEU 20 CO -0.02 1.29 0.59 -0.07 -0.34 0.00 0.00 178.44 179.89 2c4j h LEU 21 N 0.67 1.01 -0.24 2.25 3.38 -0.69 -1.26 115.31 120.43 2c4j h LEU 21 Ca 0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2c4j h LEU 21 Cb 1.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2c4j h LEU 21 CO 0.12 0.71 -0.09 -0.33 0.09 0.00 0.00 178.44 178.94 2c4j h GLU 22 N 1.19 0.49 -0.76 1.13 4.39 -0.98 -0.72 114.58 119.33 2c4j h GLU 22 Ca 0.35 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2c4j h GLU 22 Cb -0.07 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 2c4j h GLU 22 CO -0.09 0.74 0.47 -0.92 -1.16 0.00 0.00 179.01 178.05 2c4j h TYR 23 N 0.22 0.98 -0.09 4.33 3.20 -0.79 -1.63 116.97 123.19 2c4j h TYR 23 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2c4j h TYR 23 Cb 0.58 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2c4j h TYR 23 CO 0.06 0.64 0.00 0.25 -1.64 0.00 0.00 178.16 177.47 2c4j n THR 24 N -4.40 0.11 -3.14 1.81 -2.24 -0.50 -4.90 114.28 101.02 2c4j n THR 24 Ca 0.08 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 2c4j n THR 24 Cb 0.05 0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.35 2c4j n THR 24 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2c4j n ASP 25 N -0.22 -5.30 -4.76 3.42 2.03 -0.61 -4.93 116.55 106.17 2c4j n ASP 25 Ca 0.14 -0.32 -0.37 0.00 0.52 0.00 0.00 54.79 54.75 2c4j n ASP 25 Cb 0.19 -4.31 0.01 0.00 -0.72 0.00 0.00 41.12 36.29 2c4j n ASP 25 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2c4j s SER 26 N -2.72 5.76 -0.54 1.67 0.01 -0.29 -4.97 113.70 112.63 2c4j s SER 26 Ca 0.34 2.48 -0.19 0.00 1.31 0.00 0.00 55.95 59.89 2c4j s SER 26 Cb -0.16 -2.61 0.07 0.00 0.21 0.00 0.00 66.02 63.53 2c4j s SER 26 CO 0.42 -1.21 0.66 -0.55 0.41 0.00 0.00 173.24 172.97 2c4j s SER 27 N -1.23 6.21 0.05 2.44 0.15 -1.26 -4.88 113.70 115.18 2c4j s SER 27 Ca 0.68 -1.10 -0.04 0.00 0.70 0.00 0.00 55.95 56.19 2c4j s SER 27 Cb -0.33 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 2c4j s SER 27 CO 0.39 -0.98 0.05 -0.72 1.20 0.00 0.00 173.24 173.19 2c4j s TYR 28 N 2.66 0.33 0.25 3.44 1.13 -1.26 -4.36 117.35 119.54 2c4j s TYR 28 Ca 0.14 -0.77 0.07 0.00 -1.41 0.00 0.00 57.07 55.10 2c4j s TYR 28 Cb -0.21 -0.24 -0.05 0.00 -1.10 0.00 0.00 41.96 40.36 2c4j s TYR 28 CO 0.10 -0.40 -0.09 -1.21 -2.51 0.00 0.00 175.55 171.44 2c4j s GLU 29 N -3.35 1.44 -0.06 -3.49 0.41 -0.36 -5.02 118.70 108.27 2c4j s GLU 29 Ca 0.01 -1.70 0.04 0.00 -0.41 0.00 0.00 54.97 52.92 2c4j s GLU 29 Cb 0.03 -1.10 -0.02 0.00 -1.78 0.00 0.00 34.13 31.26 2c4j s GLU 29 CO -0.08 0.09 -0.16 -1.21 -0.49 0.00 0.00 175.26 173.40 2c4j s GLU 30 N -3.70 2.58 -0.41 1.61 2.02 -1.26 -1.35 118.70 118.18 2c4j s GLU 30 Ca 0.27 -0.74 -0.12 0.00 0.02 0.00 0.00 54.97 54.39 2c4j s GLU 30 Cb 0.02 -2.35 0.05 0.00 0.10 0.00 0.00 34.13 31.95 2c4j s GLU 30 CO 0.10 0.54 0.27 0.21 0.02 0.00 0.00 175.26 176.40 2c4j s LYS 31 N -0.52 2.81 -0.24 1.61 2.47 0.10 -4.93 119.74 121.04 2c4j s LYS 31 Ca 0.07 -1.24 -0.11 0.00 -1.56 0.00 0.00 55.97 53.13 2c4j s LYS 31 Cb -0.12 -3.86 -0.05 0.00 -1.46 0.00 0.00 37.83 32.34 2c4j s LYS 31 CO 0.01 -0.85 0.18 0.15 0.16 0.00 0.00 175.35 175.00 2c4j s LYS 32 N 1.55 4.08 -0.16 4.03 1.02 -1.26 -2.00 119.74 127.00 2c4j s LYS 32 Ca 0.03 -0.23 -0.08 0.00 0.02 0.00 0.00 55.97 55.71 2c4j s LYS 32 Cb -0.21 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 2c4j s LYS 32 CO 0.06 0.05 0.12 0.71 -0.92 0.00 0.00 175.35 175.37 2c4j s TYR 33 N 1.08 3.46 -0.21 3.18 2.02 -0.38 -4.87 117.35 121.62 2c4j s TYR 33 Ca 0.08 0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 57.12 2c4j s TYR 33 Cb -0.14 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 2c4j s TYR 33 CO 0.05 0.48 -0.04 0.99 -1.57 0.00 0.00 175.55 175.46 2c4j s THR 34 N -0.33 3.39 0.32 -0.71 2.01 -1.26 -0.56 115.64 118.50 2c4j s THR 34 Ca 0.11 -0.49 -0.28 0.00 0.31 0.00 0.00 61.69 61.33 2c4j s THR 34 Cb -0.12 -2.54 -0.10 0.00 0.01 0.00 0.00 72.50 69.76 2c4j s THR 34 CO 0.01 0.43 1.17 -0.32 -0.69 0.00 0.00 174.62 175.22 2c4j s MET 35 N 1.40 4.45 0.94 4.92 1.75 -1.26 -4.71 119.30 126.79 2c4j s MET 35 Ca 0.05 1.93 -0.12 0.00 -1.25 0.00 0.00 55.69 56.30 2c4j s MET 35 Cb -0.14 -3.06 0.15 0.00 2.84 0.00 0.00 34.83 34.62 2c4j s MET 35 CO -0.03 -0.00 1.09 0.20 -0.65 0.00 0.00 175.02 175.64 2c4j s GLY 36 N -0.81 1.60 0.82 2.11 0.00 0.73 -4.85 107.32 106.92 2c4j s GLY 36 Ca 0.48 -0.17 -0.11 0.00 0.00 0.00 0.00 44.72 44.92 2c4j s GLY 36 CO 0.44 0.37 1.09 0.99 0.00 0.00 0.00 173.10 175.99 2c4j s ASP 37 N -3.41 4.18 0.72 1.64 1.01 -1.26 -3.94 116.67 115.61 2c4j s ASP 37 Ca 0.64 1.46 -0.16 0.00 0.71 0.00 0.00 52.55 55.20 2c4j s ASP 37 Cb -0.18 -2.18 0.02 0.00 1.01 0.00 0.00 42.92 41.59 2c4j s ASP 37 CO 0.57 -2.19 1.09 0.00 0.21 0.00 0.00 175.17 174.86 2c4j n ALA 38 N -3.59 0.11 0.43 5.23 0.00 -1.26 -1.26 120.51 120.17 2c4j n ALA 38 Ca 0.07 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.46 2c4j n ALA 38 Cb 0.55 -2.19 0.22 0.00 0.00 0.00 0.00 19.45 18.03 2c4j n ALA 38 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2c4j h PRO 39 N -0.22 0.00 0.00 0.00 0.13 -2.04 -3.45 132.00 126.42 2c4j h PRO 39 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 2c4j h PRO 39 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 2c4j h PRO 39 CO 0.48 0.00 -0.81 -0.44 -0.23 0.00 0.00 178.00 177.00 2c4j h ASP 40 N 0.00 0.00 -6.45 1.44 3.32 -1.90 -3.47 116.42 109.35 2c4j h ASP 40 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2c4j h ASP 40 Cb 0.85 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 2c4j h ASP 40 CO 0.00 0.81 -0.91 -1.22 -1.72 0.00 0.00 179.24 176.20 2c4j n TYR 41 N -3.31 -1.69 -1.71 4.55 4.01 -0.39 -4.78 117.16 113.83 2c4j n TYR 41 Ca 0.01 0.64 -0.42 0.00 -0.16 0.00 0.00 57.90 57.96 2c4j n TYR 41 Cb 0.86 -3.62 -0.03 0.00 -0.31 0.00 0.00 39.34 36.24 2c4j n TYR 41 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2c4j n ASP 42 N -2.87 4.03 -1.08 7.72 2.03 -1.25 -4.44 116.55 120.69 2c4j n ASP 42 Ca -0.25 1.05 0.09 0.00 0.52 0.00 0.00 54.79 56.20 2c4j n ASP 42 Cb 0.66 -1.57 0.26 0.00 -0.72 0.00 0.00 41.12 39.74 2c4j n ASP 42 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2c4j n ARG 43 N 4.25 3.02 0.09 -0.67 1.74 -1.26 -0.19 116.66 123.64 2c4j n ARG 43 Ca 0.16 -2.49 0.12 0.00 -0.77 0.00 0.00 57.85 54.87 2c4j n ARG 43 Cb 0.35 -1.55 0.61 0.00 -1.02 0.00 0.00 32.46 30.86 2c4j n ARG 43 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2c4j h SER 44 N 3.12 0.11 -0.75 0.55 4.64 -1.90 -0.43 113.55 118.89 2c4j h SER 44 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2c4j h SER 44 Cb 1.03 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 2c4j h SER 44 CO 0.07 0.07 0.49 1.56 -0.87 0.00 0.00 176.83 178.16 2c4j h GLN 45 N 0.13 0.89 0.00 4.77 4.20 -1.84 -0.42 115.11 122.83 2c4j h GLN 45 Ca 0.14 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 2c4j h GLN 45 Cb 0.40 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2c4j h GLN 45 CO -0.02 0.59 -0.45 2.35 -0.67 0.00 0.00 178.83 180.63 2c4j h TRP 46 N 0.91 0.00 0.00 2.96 -0.00 -1.60 -3.39 115.95 114.83 2c4j h TRP 46 Ca 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.17 2c4j h TRP 46 Cb 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.21 2c4j h TRP 46 CO -0.00 1.08 -0.08 -0.07 -0.00 0.00 0.00 178.44 179.37 2c4j h LEU 47 N -1.00 0.00 -0.88 0.65 3.38 -0.96 0.12 115.31 116.63 2c4j h LEU 47 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2c4j h LEU 47 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2c4j h LEU 47 CO -0.07 0.08 0.00 0.78 0.09 0.00 0.00 178.44 179.31 2c4j h ASN 48 N 0.00 0.00 0.00 -0.43 2.35 -1.26 -3.23 115.58 113.00 2c4j h ASN 48 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2c4j h ASN 48 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2c4j h ASN 48 CO 0.01 0.00 0.00 -1.84 -1.65 0.00 0.00 177.43 173.95 2c4j n GLU 49 N -2.40 -0.31 -0.33 0.81 0.28 -0.48 -4.86 120.64 113.35 2c4j n GLU 49 Ca 0.02 -0.25 0.24 0.00 -0.16 0.00 0.00 57.16 57.01 2c4j n GLU 49 Cb 0.24 -0.74 0.47 0.00 1.43 0.00 0.00 31.44 32.84 2c4j n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2c4j h LYS 50 N 0.00 0.20 -0.73 3.44 3.64 -0.83 0.12 116.57 122.42 2c4j h LYS 50 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2c4j h LYS 50 Cb 0.23 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2c4j h LYS 50 CO 0.00 0.13 0.00 1.19 -2.27 0.00 0.00 179.45 178.50 2c4j n PHE 51 N -5.16 1.01 -0.32 1.91 3.01 -1.26 -4.36 117.46 112.29 2c4j n PHE 51 Ca 0.31 -0.51 0.04 0.00 1.01 0.00 0.00 57.45 58.31 2c4j n PHE 51 Cb 1.00 -0.02 0.10 0.00 -0.01 0.00 0.00 39.48 40.56 2c4j n PHE 51 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2c4j n LYS 52 N 1.60 2.71 -0.00 -1.08 5.02 0.42 -4.63 118.16 122.20 2c4j n LYS 52 Ca 0.24 -1.99 0.06 0.00 -2.02 0.00 0.00 58.31 54.60 2c4j n LYS 52 Cb 0.64 -1.26 0.05 0.00 -0.02 0.00 0.00 35.03 34.44 2c4j n LYS 52 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2c4j n LEU 53 N -0.29 1.96 -0.18 -0.35 4.77 -1.23 -4.99 117.00 116.68 2c4j n LEU 53 Ca 0.09 -1.01 -0.02 0.00 -0.03 0.00 0.00 56.01 55.03 2c4j n LEU 53 Cb 0.44 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 2c4j n LEU 53 CO 0.05 0.37 -0.02 0.61 -1.33 0.00 0.00 177.39 177.07 2c4j n GLY 54 N 0.63 0.56 3.75 -0.72 0.00 -1.26 -5.01 105.19 103.14 2c4j n GLY 54 Ca 0.07 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2c4j n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c4j s LEU 55 N -0.54 4.48 0.19 0.99 1.43 -1.26 -4.95 118.68 119.01 2c4j s LEU 55 Ca 0.00 2.26 -0.07 0.00 -1.03 0.00 0.00 54.13 55.28 2c4j s LEU 55 Cb 0.00 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.71 2c4j s LEU 55 CO 0.00 -0.31 1.62 0.44 0.23 0.00 0.00 176.35 178.33 2c4j h ASP 56 N 4.74 0.95 -2.69 2.29 3.32 -1.95 -3.36 116.42 119.72 2c4j h ASP 56 Ca -0.45 -0.32 -0.60 0.00 0.02 0.00 0.00 57.03 55.68 2c4j h ASP 56 Cb 1.21 -0.26 -0.40 0.00 0.22 0.00 0.00 39.33 40.11 2c4j h ASP 56 CO 0.72 1.08 -0.80 -0.36 -1.72 0.00 0.00 179.24 178.16 2c4j s PHE 57 N -4.78 2.12 0.11 4.55 0.08 -1.26 -5.11 117.98 113.69 2c4j s PHE 57 Ca -0.11 -2.74 -0.36 0.00 0.12 0.00 0.00 56.93 53.84 2c4j s PHE 57 Cb 0.13 -1.67 -0.16 0.00 -0.57 0.00 0.00 43.02 40.75 2c4j s PHE 57 CO 0.85 -0.71 1.39 -2.30 -0.10 0.00 0.00 175.22 174.36 2c4j n PRO 58 N 2.51 1.39 -3.70 0.24 -0.02 -1.26 -4.86 135.00 129.31 2c4j n PRO 58 Ca 0.25 0.50 -0.04 0.00 -2.02 0.00 0.00 63.50 62.20 2c4j n PRO 58 Cb 0.42 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 2c4j n PRO 58 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2c4j s ASN 59 N 0.58 -0.19 -0.05 2.55 3.84 -1.26 -5.11 114.94 115.30 2c4j s ASN 59 Ca 0.83 -0.30 0.04 0.00 0.21 0.00 0.00 52.86 53.64 2c4j s ASN 59 Cb -0.89 0.42 -0.00 0.00 -0.55 0.00 0.00 41.25 40.23 2c4j s ASN 59 CO 0.45 -0.77 -0.19 -0.76 -2.79 0.00 0.00 177.10 173.04 2c4j s LEU 60 N -2.86 1.94 0.66 3.21 1.43 -1.26 -3.97 118.68 117.83 2c4j s LEU 60 Ca 0.11 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 2c4j s LEU 60 Cb -0.01 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 2c4j s LEU 60 CO -0.00 0.16 1.06 -2.16 0.23 0.00 0.00 176.35 175.63 2c4j s PRO 61 N 0.07 3.08 0.10 1.29 0.04 -1.26 -4.95 135.00 133.38 2c4j s PRO 61 Ca -0.06 1.02 0.06 0.00 0.04 0.00 0.00 61.00 62.06 2c4j s PRO 61 Cb -0.13 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2c4j s PRO 61 CO 0.03 -0.99 -0.15 1.52 0.04 0.00 0.00 177.00 177.46 2c4j s TYR 62 N -2.88 1.37 -0.10 0.56 -0.85 -0.54 -3.90 117.35 111.01 2c4j s TYR 62 Ca 0.59 -0.51 0.02 0.00 -0.52 0.00 0.00 57.07 56.66 2c4j s TYR 62 Cb -0.14 -0.74 0.01 0.00 0.38 0.00 0.00 41.96 41.47 2c4j s TYR 62 CO 0.49 0.12 -0.17 -1.17 -1.52 0.00 0.00 175.55 173.31 2c4j s LEU 63 N -2.15 1.80 -0.21 -3.49 2.96 0.29 -0.76 118.68 117.11 2c4j s LEU 63 Ca 0.05 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 2c4j s LEU 63 Cb -0.07 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 2c4j s LEU 63 CO 0.03 0.05 0.08 -0.63 -1.32 0.00 0.00 176.35 174.55 2c4j s ILE 64 N 0.81 4.70 -0.32 6.68 -1.09 0.10 -0.59 121.20 131.49 2c4j s ILE 64 Ca -0.10 -0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 2c4j s ILE 64 Cb -0.16 -3.15 0.10 0.00 -1.58 0.00 0.00 42.46 37.68 2c4j s ILE 64 CO 0.01 0.41 0.12 -0.62 -1.23 0.00 0.00 174.94 173.62 2c4j s ASP 65 N 0.85 3.89 1.89 3.58 2.15 0.07 -0.47 116.67 128.64 2c4j s ASP 65 Ca 0.04 -1.67 0.00 0.00 0.43 0.00 0.00 52.55 51.35 2c4j s ASP 65 Cb -0.14 -0.77 0.00 0.00 -0.30 0.00 0.00 42.92 41.71 2c4j s ASP 65 CO 0.02 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 2c4j n GLY 66 N 4.80 4.03 0.02 2.66 0.00 0.22 -1.46 105.19 115.45 2c4j n GLY 66 Ca -0.01 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2c4j n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c4j n THR 67 N 0.00 0.09 -2.35 2.61 -2.24 -1.26 -4.71 114.28 106.41 2c4j n THR 67 Ca 0.00 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 2c4j n THR 67 Cb 0.00 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 2c4j n THR 67 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2c4j s HIS 68 N -3.06 3.39 -0.18 4.78 3.76 -0.54 -5.01 115.29 118.43 2c4j s HIS 68 Ca 0.09 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.22 2c4j s HIS 68 Cb 0.16 -3.49 0.04 0.00 1.11 0.00 0.00 32.58 30.40 2c4j s HIS 68 CO 0.72 -1.56 -0.09 0.15 -0.85 0.00 0.00 174.74 173.12 2c4j s LYS 69 N 0.97 1.87 -0.05 1.40 1.02 -1.26 -0.75 119.74 122.94 2c4j s LYS 69 Ca 0.60 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.94 2c4j s LYS 69 Cb -0.32 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 2c4j s LYS 69 CO 0.30 -0.39 -0.15 0.42 -0.92 0.00 0.00 175.35 174.61 2c4j s ILE 70 N 1.49 1.30 0.51 2.17 1.01 0.24 -4.79 121.20 123.14 2c4j s ILE 70 Ca 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2c4j s ILE 70 Cb -0.15 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 2c4j s ILE 70 CO -0.08 0.38 0.05 0.42 0.00 0.00 0.00 174.94 175.71 2c4j s THR 71 N 0.30 1.23 0.01 2.92 -4.23 -1.26 -0.55 115.64 114.06 2c4j s THR 71 Ca -0.09 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2c4j s THR 71 Cb -0.13 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.55 2c4j s THR 71 CO 0.03 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.11 2c4j n GLN 72 N -1.33 -1.10 -0.35 3.99 1.13 -1.25 -4.43 117.38 114.05 2c4j n GLN 72 Ca -0.17 1.19 0.07 0.00 -1.94 0.00 0.00 57.00 56.15 2c4j n GLN 72 Cb 0.67 -1.26 0.24 0.00 0.11 0.00 0.00 30.24 29.99 2c4j n GLN 72 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2c4j h SER 73 N 0.89 0.86 -0.02 1.08 4.64 -1.91 0.79 113.55 119.88 2c4j h SER 73 Ca 0.00 0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 2c4j h SER 73 Cb 0.00 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2c4j h SER 73 CO 0.00 0.44 -0.28 0.78 -0.87 0.00 0.00 176.83 176.91 2c4j h ASN 74 N 0.93 0.46 -0.36 4.97 -0.26 -1.95 -1.26 115.58 118.11 2c4j h ASN 74 Ca 0.49 -0.16 -0.13 0.00 -0.56 0.00 0.00 56.30 55.94 2c4j h ASN 74 Cb 0.52 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 2c4j h ASN 74 CO -0.28 0.73 -0.27 0.00 -1.06 0.00 0.00 177.43 176.55 2c4j h ALA 75 N 1.31 0.74 -0.27 -0.83 0.00 -1.16 -0.95 119.26 118.10 2c4j h ALA 75 Ca 0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2c4j h ALA 75 Cb 0.70 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2c4j h ALA 75 CO 0.05 0.66 0.11 0.82 0.00 0.00 0.00 179.25 180.89 2c4j h ILE 76 N 0.75 1.18 -0.39 0.00 2.04 -0.86 -0.60 117.51 119.63 2c4j h ILE 76 Ca 0.09 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2c4j h ILE 76 Cb 0.82 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2c4j h ILE 76 CO 0.07 0.18 0.22 -0.07 0.00 0.00 0.00 178.15 178.55 2c4j h LEU 77 N 0.29 0.48 -1.12 1.44 3.38 -1.12 -1.69 115.31 116.97 2c4j h LEU 77 Ca 0.09 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2c4j h LEU 77 Cb 0.19 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2c4j h LEU 77 CO -0.01 0.42 -0.01 0.03 0.09 0.00 0.00 178.44 178.97 2c4j h ARG 78 N 0.50 0.60 -0.01 1.13 3.08 -1.07 -0.12 114.38 118.50 2c4j h ARG 78 Ca 0.14 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2c4j h ARG 78 Cb 0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2c4j h ARG 78 CO -0.02 0.63 0.00 -0.92 -1.07 0.00 0.00 179.97 178.59 2c4j h TYR 79 N 0.57 0.01 -0.64 3.04 3.20 -0.69 -0.32 116.97 122.15 2c4j h TYR 79 Ca 0.12 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 2c4j h TYR 79 Cb 0.38 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2c4j h TYR 79 CO 0.02 0.17 0.25 0.82 -1.64 0.00 0.00 178.16 177.78 2c4j h ILE 80 N -0.15 1.24 -0.51 1.81 2.04 -1.13 -2.53 117.51 118.28 2c4j h ILE 80 Ca 0.00 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.13 2c4j h ILE 80 Cb 0.16 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2c4j h ILE 80 CO -0.00 0.29 0.34 0.00 0.00 0.00 0.00 178.15 178.78 2c4j h ALA 81 N 1.10 0.65 -0.73 1.87 0.00 -0.77 -2.25 119.26 119.13 2c4j h ALA 81 Ca 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2c4j h ALA 81 Cb 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2c4j h ALA 81 CO -0.02 0.09 0.27 0.00 0.00 0.00 0.00 179.25 179.59 2c4j h ARG 82 N 0.70 1.11 -0.32 0.00 3.08 -0.97 0.16 114.38 118.14 2c4j h ARG 82 Ca 0.19 -0.22 0.06 0.00 0.07 0.00 0.00 59.98 60.08 2c4j h ARG 82 Cb -0.08 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 2c4j h ARG 82 CO -0.04 0.93 0.22 -0.22 -1.07 0.00 0.00 179.97 179.79 2c4j h LYS 83 N 1.07 0.17 -0.07 0.04 3.64 -1.07 -2.94 116.57 117.41 2c4j h LYS 83 Ca 0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2c4j h LYS 83 Cb 0.25 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2c4j h LYS 83 CO -0.01 0.11 0.00 0.72 -2.27 0.00 0.00 179.45 178.00 2c4j n HIS 84 N -4.48 0.20 -3.69 1.91 8.25 -0.86 -5.00 115.22 111.55 2c4j n HIS 84 Ca 0.04 -0.83 -0.24 0.00 -0.26 0.00 0.00 57.72 56.43 2c4j n HIS 84 Cb 0.27 -0.15 0.05 0.00 1.12 0.00 0.00 29.99 31.28 2c4j n HIS 84 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2c4j n ASN 85 N -0.91 -3.54 -2.25 0.41 5.15 -0.11 -4.92 115.26 109.09 2c4j n ASN 85 Ca 0.13 -0.71 -0.28 0.00 -0.60 0.00 0.00 54.58 53.12 2c4j n ASN 85 Cb 0.58 -4.43 0.03 0.00 -0.53 0.00 0.00 39.78 35.43 2c4j n ASN 85 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2c4j n LEU 86 N -4.53 5.71 -4.50 1.20 4.77 0.38 -5.02 117.00 115.02 2c4j n LEU 86 Ca -0.13 -4.75 -0.25 0.00 -0.03 0.00 0.00 56.01 50.85 2c4j n LEU 86 Cb 0.61 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 2c4j n LEU 86 CO 0.68 1.97 -0.43 0.00 -1.33 0.00 0.00 177.39 178.28 2c4j n GLY 88 N -0.70 0.90 0.12 0.00 0.00 -1.26 -4.96 105.19 99.29 2c4j n GLY 88 Ca -0.05 0.34 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 2c4j n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2c4j n GLU 89 N 0.72 0.56 -1.81 1.61 1.02 -1.26 -4.73 120.64 116.75 2c4j n GLU 89 Ca 0.04 0.24 -0.31 0.00 -0.02 0.00 0.00 57.16 57.11 2c4j n GLU 89 Cb 0.37 -1.46 0.02 0.00 -0.02 0.00 0.00 31.44 30.35 2c4j n GLU 89 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2c4j s SER 90 N -6.82 5.89 0.17 1.62 1.04 -1.26 -4.85 113.70 109.48 2c4j s SER 90 Ca -0.35 1.54 -0.17 0.00 0.48 0.00 0.00 55.95 57.46 2c4j s SER 90 Cb 0.10 -2.49 0.10 0.00 0.10 0.00 0.00 66.02 63.83 2c4j s SER 90 CO 0.46 -1.10 1.68 -0.08 0.98 0.00 0.00 173.24 175.18 2c4j h GLU 91 N -0.32 0.03 -1.00 4.02 4.57 -1.99 0.28 114.58 120.18 2c4j h GLU 91 Ca -0.44 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 57.80 2c4j h GLU 91 Cb 1.20 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.71 2c4j h GLU 91 CO 0.59 0.02 0.64 0.87 -1.18 0.00 0.00 179.01 179.96 2c4j h LYS 92 N 0.03 1.12 -0.54 1.92 1.57 -2.00 -0.69 116.57 117.99 2c4j h LYS 92 Ca 0.19 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2c4j h LYS 92 Cb 0.29 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2c4j h LYS 92 CO -0.38 0.74 -0.02 0.93 -0.57 0.00 0.00 179.45 180.15 2c4j h GLU 93 N 1.15 0.96 -0.39 3.15 5.08 -1.75 -2.24 114.58 120.55 2c4j h GLU 93 Ca 0.44 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2c4j h GLU 93 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2c4j h GLU 93 CO -0.18 0.99 -0.03 1.96 -1.00 0.00 0.00 179.01 180.75 2c4j h GLN 94 N 0.84 0.63 -0.16 2.33 4.20 -0.23 0.41 115.11 123.13 2c4j h GLN 94 Ca 0.15 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2c4j h GLN 94 Cb 0.57 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2c4j h GLN 94 CO 0.03 0.67 0.05 0.82 -0.67 0.00 0.00 178.83 179.73 2c4j h ILE 95 N 0.59 1.18 -0.83 2.54 2.04 -1.04 -1.21 117.51 120.79 2c4j h ILE 95 Ca 0.12 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2c4j h ILE 95 Cb 0.42 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2c4j h ILE 95 CO 0.02 0.18 0.49 0.03 0.00 0.00 0.00 178.15 178.87 2c4j h ARG 96 N 0.07 1.13 -0.17 2.37 3.08 -1.09 -0.43 114.38 119.35 2c4j h ARG 96 Ca 0.05 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.01 2c4j h ARG 96 Cb 0.23 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2c4j h ARG 96 CO -0.00 0.80 0.06 1.49 -1.07 0.00 0.00 179.97 181.25 2c4j h GLU 97 N 1.14 0.14 -0.39 0.04 4.81 -0.77 -0.42 114.58 119.12 2c4j h GLU 97 Ca 0.30 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.40 2c4j h GLU 97 Cb -0.03 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2c4j h GLU 97 CO -0.05 0.09 -0.22 -0.44 -0.73 0.00 0.00 179.01 177.66 2c4j h ASP 98 N 0.14 0.87 0.06 1.04 3.32 -0.90 0.48 116.42 121.43 2c4j h ASP 98 Ca 0.07 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 2c4j h ASP 98 Cb 0.04 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 2c4j h ASP 98 CO -0.07 1.09 -0.03 0.40 -1.72 0.00 0.00 179.24 178.90 2c4j h ILE 99 N 0.64 0.93 -0.57 0.35 2.04 -0.94 -2.84 117.51 117.11 2c4j h ILE 99 Ca 0.08 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.84 2c4j h ILE 99 Cb 0.78 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2c4j h ILE 99 CO 0.06 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 178.11 2c4j h LEU 100 N -0.09 1.02 -0.52 1.44 3.38 -0.96 0.18 115.31 119.77 2c4j h LEU 100 Ca -0.01 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.72 2c4j h LEU 100 Cb 0.07 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 2c4j h LEU 100 CO 0.01 1.09 0.16 -0.08 0.09 0.00 0.00 178.44 179.70 2c4j h GLU 101 N 0.92 0.31 0.09 1.13 4.81 -0.89 0.15 114.58 121.10 2c4j h GLU 101 Ca 0.16 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 59.09 2c4j h GLU 101 Cb 0.59 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 29.92 2c4j h GLU 101 CO 0.04 0.20 -1.17 -0.91 -0.73 0.00 0.00 179.01 176.44 2c4j h ASN 102 N 0.32 0.69 -0.18 1.04 2.35 -1.27 -2.60 115.58 115.93 2c4j h ASN 102 Ca 0.25 -0.64 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 2c4j h ASN 102 Cb 0.31 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2c4j h ASN 102 CO -0.28 1.46 0.10 -0.61 -1.65 0.00 0.00 177.43 176.44 2c4j h GLN 103 N 0.22 0.26 -0.52 0.81 5.75 -0.42 -1.50 115.11 119.71 2c4j h GLN 103 Ca -0.15 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 2c4j h GLN 103 Cb 1.84 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 30.32 2c4j h GLN 103 CO 0.21 0.26 0.25 0.74 -2.65 0.00 0.00 178.83 177.64 2c4j h PHE 104 N 0.19 0.71 -0.70 3.99 0.04 -0.77 -0.82 116.94 119.58 2c4j h PHE 104 Ca 0.06 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 2c4j h PHE 104 Cb 0.08 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 2c4j h PHE 104 CO -0.04 0.52 0.27 1.98 -0.60 0.00 0.00 178.31 180.44 2c4j h MET 105 N 0.72 1.05 -0.55 1.51 4.05 -1.18 0.11 114.93 120.65 2c4j h MET 105 Ca 0.18 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2c4j h MET 105 Cb 0.07 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 2c4j h MET 105 CO -0.03 0.88 0.34 -0.44 0.23 0.00 0.00 176.91 177.90 2c4j h ASP 106 N 1.00 0.65 -0.48 1.39 3.32 -0.56 -0.78 116.42 120.97 2c4j h ASP 106 Ca 0.23 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2c4j h ASP 106 Cb 0.23 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2c4j h ASP 106 CO -0.02 0.50 0.23 0.28 -1.72 0.00 0.00 179.24 178.52 2c4j h SER 107 N 0.74 0.62 -0.42 6.45 0.02 -0.79 -1.22 113.55 118.95 2c4j h SER 107 Ca 0.20 -0.12 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2c4j h SER 107 Cb -0.04 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.29 2c4j h SER 107 CO -0.04 0.57 0.10 -0.09 -1.14 0.00 0.00 176.83 176.23 2c4j h ARG 108 N 0.63 0.23 -0.17 3.45 2.43 -0.52 -2.35 114.38 118.08 2c4j h ARG 108 Ca 0.16 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 2c4j h ARG 108 Cb 0.11 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2c4j h ARG 108 CO -0.02 0.15 -0.27 0.52 -1.51 0.00 0.00 179.97 178.84 2c4j h MET 109 N 0.24 0.32 -0.21 0.20 2.86 -0.89 -0.95 114.93 116.50 2c4j h MET 109 Ca 0.21 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2c4j h MET 109 Cb 0.24 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2c4j h MET 109 CO -0.26 0.57 0.12 1.96 1.06 0.00 0.00 176.91 180.37 2c4j h GLN 110 N 0.28 0.28 -0.33 1.72 4.20 -0.78 0.11 115.11 120.59 2c4j h GLN 110 Ca 0.04 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2c4j h GLN 110 Cb 0.64 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2c4j h GLN 110 CO 0.05 0.24 0.03 1.25 -0.67 0.00 0.00 178.83 179.72 2c4j h LEU 111 N 0.25 0.55 -0.70 1.46 5.85 -1.15 -2.50 115.31 119.07 2c4j h LEU 111 Ca 0.07 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2c4j h LEU 111 Cb 0.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2c4j h LEU 111 CO -0.01 0.70 0.43 0.00 -0.34 0.00 0.00 178.44 179.21 2c4j h ALA 112 N 0.87 0.90 -0.41 1.25 0.00 -1.06 -0.67 119.26 120.13 2c4j h ALA 112 Ca 0.10 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2c4j h ALA 112 Cb 0.40 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2c4j h ALA 112 CO 0.01 0.37 0.23 -0.22 0.00 0.00 0.00 179.25 179.64 2c4j h LYS 113 N 0.96 0.45 -0.02 0.00 3.64 -0.70 -1.90 116.57 119.00 2c4j h LYS 113 Ca 0.25 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2c4j h LYS 113 Cb -0.03 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2c4j h LYS 113 CO -0.05 0.30 -0.04 1.25 -2.27 0.00 0.00 179.45 178.64 2c4j h LEU 114 N 0.47 -0.11 -0.68 5.20 5.85 -1.10 -2.63 115.31 122.31 2c4j h LEU 114 Ca 0.17 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2c4j h LEU 114 Cb 0.03 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2c4j h LEU 114 CO -0.09 -0.06 0.00 0.00 -0.34 0.00 0.00 178.44 177.95 2c4j n TYR 116 N -2.26 0.00 -2.56 0.00 4.02 -0.75 -0.01 117.16 115.59 2c4j n TYR 116 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 2c4j n TYR 116 Cb 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.53 2c4j n TYR 116 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2c4j s ASP 117 N -2.43 7.22 0.50 7.72 -1.08 -0.70 -4.67 116.67 123.23 2c4j s ASP 117 Ca 0.15 1.84 0.23 0.00 -0.52 0.00 0.00 52.55 54.25 2c4j s ASP 117 Cb 0.16 -2.57 1.30 0.00 -1.46 0.00 0.00 42.92 40.35 2c4j s ASP 117 CO 0.59 -0.37 1.97 -0.65 0.52 0.00 0.00 175.17 177.22 2c4j h PRO 118 N 6.82 0.12 -0.89 4.34 0.11 -1.92 -0.66 132.00 139.92 2c4j h PRO 118 Ca -0.41 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 2c4j h PRO 118 Cb 1.21 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2c4j h PRO 118 CO 0.78 0.08 0.07 -0.25 -0.21 0.00 0.00 178.00 178.47 2c4j n ASP 119 N -4.40 2.97 -0.37 -2.05 8.00 -1.26 -4.61 116.55 114.83 2c4j n ASP 119 Ca 0.11 -2.44 0.04 0.00 0.71 0.00 0.00 54.79 53.22 2c4j n ASP 119 Cb 0.60 -0.59 0.11 0.00 -0.02 0.00 0.00 41.12 41.22 2c4j n ASP 119 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2c4j h PHE 120 N 1.21 -0.68 -0.78 1.24 3.57 -1.34 -0.45 116.94 119.71 2c4j h PHE 120 Ca 0.07 0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2c4j h PHE 120 Cb 1.26 0.45 -0.04 0.00 2.79 0.00 0.00 35.95 40.42 2c4j h PHE 120 CO 0.48 -0.42 0.46 0.93 -2.23 0.00 0.00 178.31 177.53 2c4j h GLU 121 N -0.00 1.07 0.00 1.11 4.39 -1.86 0.91 114.58 120.19 2c4j h GLU 121 Ca 0.44 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.91 2c4j h GLU 121 Cb 0.69 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2c4j h GLU 121 CO -1.02 0.77 -0.60 0.87 -1.16 0.00 0.00 179.01 177.87 2c4j h LYS 122 N 1.07 0.00 0.00 2.33 1.57 -1.53 -3.30 116.57 116.71 2c4j h LYS 122 Ca 0.28 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2c4j h LYS 122 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2c4j h LYS 122 CO -0.05 0.60 -1.19 1.28 -0.57 0.00 0.00 179.45 179.51 2c4j n LEU 123 N -3.69 0.74 -0.14 2.94 4.77 -0.33 -4.37 117.00 116.92 2c4j n LEU 123 Ca -0.01 0.29 -0.06 0.00 -0.03 0.00 0.00 56.01 56.20 2c4j n LEU 123 Cb 0.62 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.71 2c4j n LEU 123 CO 0.41 -0.12 1.01 0.50 -1.33 0.00 0.00 177.39 177.87 2c4j h LYS 124 N 0.00 0.46 -0.92 3.23 3.64 -0.92 -2.82 116.57 119.24 2c4j h LYS 124 Ca -0.03 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.45 2c4j h LYS 124 Cb 1.08 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.71 2c4j h LYS 124 CO 0.01 0.31 0.54 -1.35 -2.27 0.00 0.00 179.45 176.68 2c4j h PRO 125 N 0.48 0.81 -0.51 1.90 0.11 -1.78 -0.26 132.00 132.76 2c4j h PRO 125 Ca 0.19 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2c4j h PRO 125 Cb 0.06 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 2c4j h PRO 125 CO -0.11 0.54 0.32 1.49 -0.21 0.00 0.00 178.00 180.03 2c4j h GLU 126 N 0.84 0.68 -0.26 1.05 4.81 -1.77 0.11 114.58 120.04 2c4j h GLU 126 Ca 0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2c4j h GLU 126 Cb 0.52 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2c4j h GLU 126 CO -0.29 0.47 0.17 -0.92 -0.73 0.00 0.00 179.01 177.71 2c4j h TYR 127 N 0.69 0.32 -0.44 0.92 3.20 -1.15 -2.40 116.97 118.11 2c4j h TYR 127 Ca 0.18 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2c4j h TYR 127 Cb -0.05 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 2c4j h TYR 127 CO -0.03 0.20 0.08 -0.07 -1.64 0.00 0.00 178.16 176.70 2c4j h LEU 128 N 0.35 0.63 -1.04 2.82 3.38 -0.77 -1.21 115.31 119.46 2c4j h LEU 128 Ca 0.09 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2c4j h LEU 128 Cb -0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2c4j h LEU 128 CO -0.02 0.64 0.13 -0.61 0.09 0.00 0.00 178.44 178.67 2c4j h GLN 129 N 0.65 0.81 0.00 1.13 4.15 -0.55 -2.95 115.11 118.36 2c4j h GLN 129 Ca 0.15 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2c4j h GLN 129 Cb 0.28 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.85 2c4j h GLN 129 CO 0.00 0.73 -0.43 0.00 -1.93 0.00 0.00 178.83 177.21 2c4j n ALA 130 N -2.46 2.89 -0.10 3.38 0.00 -0.92 -4.36 120.51 118.93 2c4j n ALA 130 Ca 0.04 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2c4j n ALA 130 Cb 0.22 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 2c4j n ALA 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2c4j h LEU 131 N 0.00 0.40 -1.18 0.00 5.85 -1.05 -2.43 115.31 116.90 2c4j h LEU 131 Ca 0.00 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2c4j h LEU 131 Cb 0.66 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2c4j h LEU 131 CO 0.00 0.41 0.56 -0.65 -0.34 0.00 0.00 178.44 178.42 2c4j h PRO 132 N 0.36 1.04 -0.61 5.25 0.11 -1.76 -0.73 132.00 135.66 2c4j h PRO 132 Ca 0.11 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 2c4j h PRO 132 Cb 0.11 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 30.96 2c4j h PRO 132 CO -0.01 0.69 0.25 0.93 -0.21 0.00 0.00 178.00 179.64 2c4j h GLU 133 N 1.07 0.91 -0.14 1.05 5.08 -1.77 0.93 114.58 121.71 2c4j h GLU 133 Ca 0.34 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2c4j h GLU 133 Cb 0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2c4j h GLU 133 CO -0.10 0.77 0.00 1.98 -1.00 0.00 0.00 179.01 180.67 2c4j h MET 134 N 0.85 0.05 -0.60 2.33 4.05 -0.92 -2.49 114.93 118.20 2c4j h MET 134 Ca 0.20 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.54 2c4j h MET 134 Cb 0.20 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 2c4j h MET 134 CO -0.02 0.03 0.06 -0.07 0.23 0.00 0.00 176.91 177.15 2c4j h LEU 135 N 0.05 0.95 -0.74 3.39 3.38 -0.94 -2.73 115.31 118.67 2c4j h LEU 135 Ca 0.06 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.89 2c4j h LEU 135 Cb 0.08 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 2c4j h LEU 135 CO -0.11 0.97 0.39 0.50 0.09 0.00 0.00 178.44 180.28 2c4j h LYS 136 N 0.92 0.64 -0.71 1.13 3.64 -0.60 0.15 116.57 121.74 2c4j h LYS 136 Ca 0.18 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2c4j h LYS 136 Cb 0.45 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 2c4j h LYS 136 CO 0.02 0.42 0.24 -0.07 -2.27 0.00 0.00 179.45 177.79 2c4j h LEU 137 N 0.66 1.03 -0.59 5.20 3.38 -1.15 0.88 115.31 124.70 2c4j h LEU 137 Ca 0.36 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2c4j h LEU 137 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2c4j h LEU 137 CO -0.26 0.95 0.10 1.88 0.09 0.00 0.00 178.44 181.21 2c4j h TYR 138 N 1.04 1.04 -0.48 1.13 0.05 -1.20 -1.97 116.97 116.58 2c4j h TYR 138 Ca 0.23 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.88 2c4j h TYR 138 Cb 0.28 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 2c4j h TYR 138 CO 0.02 0.90 0.30 1.03 -1.05 0.00 0.00 178.16 179.36 2c4j h SER 139 N 0.88 0.51 -0.74 3.88 0.87 -0.18 -0.90 113.55 117.87 2c4j h SER 139 Ca 0.18 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2c4j h SER 139 Cb 0.41 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 2c4j h SER 139 CO 0.01 0.37 0.42 1.56 -0.53 0.00 0.00 176.83 178.66 2c4j h GLN 140 N 0.62 1.03 -0.46 2.24 4.20 -0.75 -1.66 115.11 120.32 2c4j h GLN 140 Ca 0.18 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 2c4j h GLN 140 Cb -0.04 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 2c4j h GLN 140 CO -0.06 0.75 -0.09 0.35 -0.67 0.00 0.00 178.83 179.12 2c4j h PHE 141 N 1.02 0.98 -0.54 2.96 3.57 -0.96 -3.00 116.94 120.97 2c4j h PHE 141 Ca 0.26 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2c4j h PHE 141 Cb 0.01 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2c4j h PHE 141 CO -0.00 0.96 0.16 1.25 -2.23 0.00 0.00 178.31 178.45 2c4j h LEU 142 N 0.72 0.80 0.00 0.59 5.85 -1.01 -3.47 115.31 118.78 2c4j h LEU 142 Ca 0.12 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2c4j h LEU 142 Cb 0.63 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2c4j h LEU 142 CO 0.04 0.80 0.00 0.61 -0.34 0.00 0.00 178.44 179.55 2c4j n GLY 143 N -0.69 3.25 0.29 3.75 0.00 -0.64 -2.59 105.19 108.55 2c4j n GLY 143 Ca 0.02 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2c4j n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c4j n LYS 144 N 14.00 1.03 -2.53 1.61 5.02 -1.26 -4.92 118.16 131.11 2c4j n LYS 144 Ca 0.00 -0.57 -0.35 0.00 -2.02 0.00 0.00 58.31 55.36 2c4j n LYS 144 Cb 0.00 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 2c4j n LYS 144 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2c4j s GLN 145 N -2.37 3.99 0.30 1.97 -0.21 -1.07 -4.96 119.66 117.31 2c4j s GLN 145 Ca 0.29 1.47 0.09 0.00 0.02 0.00 0.00 55.36 57.23 2c4j s GLN 145 Cb 0.20 -2.35 0.46 0.00 1.00 0.00 0.00 33.01 32.32 2c4j s GLN 145 CO 0.47 -0.29 1.68 -1.00 -2.12 0.00 0.00 175.29 174.03 2c4j h PRO 146 N 2.08 0.08 -5.15 2.91 0.13 -1.89 -3.46 132.00 126.70 2c4j h PRO 146 Ca -0.49 -0.04 -0.38 0.00 -0.87 0.00 0.00 66.00 64.22 2c4j h PRO 146 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 2c4j h PRO 146 CO 0.61 0.57 -0.68 -1.58 -0.23 0.00 0.00 178.00 176.69 2c4j s TRP 147 N -3.89 1.53 0.37 1.56 0.52 -0.75 -4.89 118.94 113.39 2c4j s TRP 147 Ca -0.03 -0.84 0.28 0.00 0.02 0.00 0.00 56.10 55.54 2c4j s TRP 147 Cb 0.13 -0.85 1.42 0.00 -1.15 0.00 0.00 33.47 33.02 2c4j s TRP 147 CO 0.76 0.05 2.05 0.74 0.02 0.00 0.00 176.95 180.57 2c4j h PHE 148 N 2.54 0.00 -0.64 -1.98 -1.00 -1.88 -1.87 116.94 112.10 2c4j h PHE 148 Ca -0.38 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.40 2c4j h PHE 148 Cb 1.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.78 2c4j h PHE 148 CO 0.61 0.12 0.00 1.28 -1.61 0.00 0.00 178.31 178.71 2c4j n LEU 149 N -3.56 3.77 0.00 1.54 4.77 -1.26 -4.92 117.00 117.34 2c4j n LEU 149 Ca -0.01 -1.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 2c4j n LEU 149 Cb 0.26 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2c4j n LEU 149 CO 0.30 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 2c4j n GLY 150 N 1.51 0.09 0.12 -0.72 0.00 -0.70 -4.73 105.19 100.76 2c4j n GLY 150 Ca 0.22 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.79 2c4j n GLY 150 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2c4j h ASP 151 N 0.00 0.00 -3.32 1.61 3.32 -1.97 -1.99 116.42 114.07 2c4j h ASP 151 Ca 0.00 -0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 2c4j h ASP 151 Cb 0.00 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.34 2c4j h ASP 151 CO 0.00 0.00 -0.67 -0.75 -1.72 0.00 0.00 179.24 176.10 2c4j s LYS 152 N -3.12 3.61 0.29 3.56 2.20 -1.26 -4.86 119.74 120.16 2c4j s LYS 152 Ca 0.10 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 2c4j s LYS 152 Cb 0.11 -2.89 -0.10 0.00 -1.51 0.00 0.00 37.83 33.44 2c4j s LYS 152 CO 0.61 0.28 1.25 -1.50 -0.36 0.00 0.00 175.35 175.63 2c4j s ILE 153 N 0.27 3.03 0.31 5.43 2.07 -1.26 -4.56 121.20 126.50 2c4j s ILE 153 Ca -0.03 0.99 0.06 0.00 -1.41 0.00 0.00 60.65 60.26 2c4j s ILE 153 Cb -0.14 -3.63 -0.03 0.00 0.13 0.00 0.00 42.46 38.79 2c4j s ILE 153 CO 0.03 0.22 0.24 0.42 -1.91 0.00 0.00 174.94 173.94 2c4j s THR 154 N -0.87 0.06 0.49 4.00 -4.23 -1.26 -4.82 115.64 109.01 2c4j s THR 154 Ca 0.49 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.15 2c4j s THR 154 Cb -0.37 -2.49 0.25 0.00 1.34 0.00 0.00 72.50 71.23 2c4j s THR 154 CO 0.46 0.00 2.10 2.19 -0.54 0.00 0.00 174.62 178.83 2c4j h PHE 155 N 2.19 0.08 0.00 3.99 -0.00 -1.52 -1.32 116.94 120.36 2c4j h PHE 155 Ca -0.28 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.67 2c4j h PHE 155 Cb 1.24 -0.03 -0.00 0.00 -0.00 0.00 0.00 35.95 37.16 2c4j h PHE 155 CO 1.45 0.09 -0.10 -0.24 -0.00 0.00 0.00 178.31 179.52 2c4j h VAL 156 N 0.08 0.36 0.00 0.88 3.04 -1.95 -0.45 116.25 118.22 2c4j h VAL 156 Ca 0.02 -0.57 -0.04 0.00 -1.01 0.00 0.00 66.70 65.10 2c4j h VAL 156 Cb 0.07 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 2c4j h VAL 156 CO 0.00 0.10 -0.20 0.44 -1.01 0.00 0.00 177.57 176.89 2c4j h ASP 157 N 0.00 0.00 0.12 3.17 3.32 -1.65 0.68 116.42 122.06 2c4j h ASP 157 Ca -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 2c4j h ASP 157 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2c4j h ASP 157 CO 0.01 0.20 -0.83 -0.26 -1.72 0.00 0.00 179.24 176.65 2c4j h PHE 158 N 0.00 0.79 -0.02 4.55 -1.00 -1.19 -0.16 116.94 119.91 2c4j h PHE 158 Ca -0.00 -0.37 -0.00 0.00 2.81 0.00 0.00 57.97 60.40 2c4j h PHE 158 Cb 0.42 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 39.86 2c4j h PHE 158 CO 0.00 1.18 0.01 0.82 -1.61 0.00 0.00 178.31 178.70 2c4j h ILE 159 N 0.37 1.14 -0.38 -0.55 2.04 -1.32 -2.65 117.51 116.15 2c4j h ILE 159 Ca -0.06 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.44 2c4j h ILE 159 Cb 1.44 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.86 2c4j h ILE 159 CO 0.15 0.11 0.16 0.00 0.00 0.00 0.00 178.15 178.58 2c4j h ALA 160 N 0.84 0.46 -0.34 1.87 0.00 -0.79 -1.57 119.26 119.73 2c4j h ALA 160 Ca 0.01 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2c4j h ALA 160 Cb 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2c4j h ALA 160 CO -0.00 -0.21 0.11 -0.92 0.00 0.00 0.00 179.25 178.23 2c4j h TYR 161 N 0.34 0.19 -0.20 0.00 3.20 -1.05 0.47 116.97 119.93 2c4j h TYR 161 Ca 0.17 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2c4j h TYR 161 Cb 0.11 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2c4j h TYR 161 CO -0.12 0.08 0.11 0.22 -1.64 0.00 0.00 178.16 176.81 2c4j h ASP 162 N 0.25 0.25 -0.26 -2.11 3.58 -1.05 0.11 116.42 117.18 2c4j h ASP 162 Ca 0.15 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.43 2c4j h ASP 162 Cb 0.13 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2c4j h ASP 162 CO -0.17 0.26 -0.19 0.58 -2.88 0.00 0.00 179.24 176.85 2c4j h VAL 163 N 0.22 1.31 -0.30 2.25 2.07 -1.09 -0.53 116.25 120.17 2c4j h VAL 163 Ca 0.07 -1.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 2c4j h VAL 163 Cb 0.07 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2c4j h VAL 163 CO -0.01 0.41 -0.09 -0.07 0.02 0.00 0.00 177.57 177.84 2c4j h LEU 164 N 0.32 0.60 -0.68 2.57 3.38 -0.83 -2.63 115.31 118.04 2c4j h LEU 164 Ca 0.05 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.51 2c4j h LEU 164 Cb 0.73 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2c4j h LEU 164 CO 0.05 0.83 -0.49 -0.08 0.09 0.00 0.00 178.44 178.85 2c4j h GLU 165 N 0.35 0.44 -0.56 1.13 4.22 -0.73 -2.06 114.58 117.38 2c4j h GLU 165 Ca 0.07 -0.25 -0.02 0.00 0.08 0.00 0.00 59.36 59.25 2c4j h GLU 165 Cb 0.58 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2c4j h GLU 165 CO 0.03 0.83 0.26 -0.09 -2.18 0.00 0.00 179.01 177.86 2c4j h ARG 166 N 0.35 0.79 -0.28 1.92 2.43 -1.06 -0.84 114.38 117.69 2c4j h ARG 166 Ca 0.02 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 2c4j h ARG 166 Cb 0.98 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2c4j h ARG 166 CO 0.09 0.62 -0.21 -0.91 -1.51 0.00 0.00 179.97 178.04 2c4j h ASN 167 N 0.79 0.51 -0.57 -3.80 2.35 -1.04 -1.08 115.58 112.74 2c4j h ASN 167 Ca 0.19 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2c4j h ASN 167 Cb 0.10 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2c4j h ASN 167 CO -0.02 0.73 0.20 1.56 -1.65 0.00 0.00 177.43 178.24 2c4j h GLN 168 N 0.46 0.91 -0.74 0.81 4.20 -0.65 0.28 115.11 120.38 2c4j h GLN 168 Ca 0.07 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 2c4j h GLN 168 Cb 0.63 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2c4j h GLN 168 CO 0.04 0.78 0.36 0.28 -0.67 0.00 0.00 178.83 179.63 2c4j h VAL 169 N 0.89 1.24 -0.29 -0.54 2.07 -0.57 -2.01 116.25 117.04 2c4j h VAL 169 Ca 0.20 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 2c4j h VAL 169 Cb 0.24 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2c4j h VAL 169 CO -0.01 0.28 -0.18 0.15 0.02 0.00 0.00 177.57 177.83 2c4j h PHE 170 N 1.04 0.74 -2.62 1.57 3.57 -0.69 -3.39 116.94 117.15 2c4j h PHE 170 Ca 0.26 -0.19 -0.58 0.00 3.53 0.00 0.00 57.97 60.98 2c4j h PHE 170 Cb 0.11 -0.17 -0.39 0.00 2.79 0.00 0.00 35.95 38.29 2c4j h PHE 170 CO 0.01 0.89 -0.84 -2.00 -2.23 0.00 0.00 178.31 174.13 2c4j s GLU 171 N -4.53 0.61 0.46 1.11 2.56 0.93 -5.05 118.70 114.78 2c4j s GLU 171 Ca -0.13 -1.38 0.29 0.00 0.00 0.00 0.00 54.97 53.75 2c4j s GLU 171 Cb 0.08 -1.38 1.35 0.00 2.00 0.00 0.00 34.13 36.18 2c4j s GLU 171 CO 0.80 -1.20 1.73 -1.35 -0.56 0.00 0.00 175.26 174.67 2c4j h PRO 172 N 7.00 0.17 -0.13 4.30 0.11 -1.58 -1.15 132.00 140.73 2c4j h PRO 172 Ca 0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2c4j h PRO 172 Cb 0.97 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2c4j h PRO 172 CO 0.28 0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 177.06 2c4j n SER 173 N -4.48 1.90 0.25 -2.05 3.41 -1.26 -4.58 113.62 106.80 2c4j n SER 173 Ca 0.30 -1.69 0.10 0.00 -0.26 0.00 0.00 58.87 57.32 2c4j n SER 173 Cb 1.21 -0.08 0.63 0.00 -0.26 0.00 0.00 64.21 65.71 2c4j n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c4j n LEU 175 N -3.78 0.83 0.04 0.00 4.77 -1.26 -4.45 117.00 113.16 2c4j n LEU 175 Ca -0.02 -0.17 0.04 0.00 -0.03 0.00 0.00 56.01 55.83 2c4j n LEU 175 Cb 0.27 -0.17 0.43 0.00 -2.33 0.00 0.00 43.42 41.62 2c4j n LEU 175 CO 0.32 0.17 1.10 0.44 -1.33 0.00 0.00 177.39 178.09 2c4j h ASP 176 N 0.72 0.40 0.20 -1.43 3.32 -1.60 -0.19 116.42 117.84 2c4j h ASP 176 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2c4j h ASP 176 Cb 0.51 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2c4j h ASP 176 CO 0.00 0.33 0.00 0.00 -1.72 0.00 0.00 179.24 177.85 2c4j n ALA 177 N -2.48 2.37 -3.73 3.45 0.00 -1.26 -4.43 120.51 114.42 2c4j n ALA 177 Ca 0.02 -0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 2c4j n ALA 177 Cb 0.10 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.02 2c4j n ALA 177 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2c4j s PHE 178 N -2.25 2.59 0.29 0.00 0.08 -0.08 -4.99 117.98 113.62 2c4j s PHE 178 Ca 0.32 -2.90 0.03 0.00 0.12 0.00 0.00 56.93 54.50 2c4j s PHE 178 Cb 0.17 -2.08 0.70 0.00 -0.57 0.00 0.00 43.02 41.24 2c4j s PHE 178 CO 0.33 -0.67 1.69 -1.35 -0.10 0.00 0.00 175.22 175.12 2c4j h PRO 179 N 5.75 0.37 -0.19 0.24 0.11 -1.77 -0.91 132.00 135.60 2c4j h PRO 179 Ca 0.14 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 2c4j h PRO 179 Cb 0.83 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 2c4j h PRO 179 CO 0.58 0.24 -0.28 -2.95 -0.21 0.00 0.00 178.00 175.38 2c4j h ASN 180 N 0.38 0.36 -0.23 -2.05 -1.07 -1.92 -0.35 115.58 110.70 2c4j h ASN 180 Ca 0.54 -0.12 -0.15 0.00 0.07 0.00 0.00 56.30 56.64 2c4j h ASN 180 Cb 1.03 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 37.18 2c4j h ASN 180 CO -0.53 0.64 -0.46 -0.07 0.07 0.00 0.00 177.43 177.08 2c4j h LEU 181 N 0.32 0.80 -0.49 6.14 3.38 -1.53 -0.61 115.31 123.32 2c4j h LEU 181 Ca 0.05 -0.55 0.08 0.00 0.09 0.00 0.00 57.88 57.54 2c4j h LEU 181 Cb 0.67 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2c4j h LEU 181 CO 0.05 1.20 0.13 0.11 0.09 0.00 0.00 178.44 180.01 2c4j h LYS 182 N 0.43 0.27 -0.04 1.13 1.79 -1.13 -1.50 116.57 117.52 2c4j h LYS 182 Ca 0.01 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.34 2c4j h LYS 182 Cb 1.07 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 2c4j h LYS 182 CO 0.10 0.18 -0.52 -0.44 -1.08 0.00 0.00 179.45 177.69 2c4j h ASP 183 N 0.28 0.12 -0.19 0.86 3.32 -0.98 -2.29 116.42 117.54 2c4j h ASP 183 Ca 0.24 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2c4j h ASP 183 Cb 0.29 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2c4j h ASP 183 CO -0.28 0.62 0.06 0.15 -1.72 0.00 0.00 179.24 178.06 2c4j h PHE 184 N 0.09 0.31 -0.59 4.55 3.57 -0.76 0.11 116.94 124.22 2c4j h PHE 184 Ca 0.00 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.51 2c4j h PHE 184 Cb 0.95 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 2c4j h PHE 184 CO 0.01 0.40 0.34 0.82 -2.23 0.00 0.00 178.31 177.64 2c4j h ILE 185 N 0.14 1.02 -0.41 1.41 1.08 -1.12 -0.87 117.51 118.75 2c4j h ILE 185 Ca 0.06 -0.22 -0.09 0.00 -0.39 0.00 0.00 64.86 64.22 2c4j h ILE 185 Cb 0.23 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 2c4j h ILE 185 CO -0.00 0.12 -0.09 0.77 -0.69 0.00 0.00 178.15 178.26 2c4j h SER 186 N 0.65 0.78 -0.60 1.72 4.64 -1.24 -1.43 113.55 118.07 2c4j h SER 186 Ca 0.25 -0.36 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 2c4j h SER 186 Cb 0.09 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 2c4j h SER 186 CO -0.13 0.96 0.35 -0.09 -0.87 0.00 0.00 176.83 177.04 2c4j h ARG 187 N 0.59 0.83 -0.18 4.77 2.43 -0.52 -0.62 114.38 121.68 2c4j h ARG 187 Ca 0.10 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2c4j h ARG 187 Cb 0.61 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2c4j h ARG 187 CO 0.04 0.62 0.06 0.35 -1.51 0.00 0.00 179.97 179.53 2c4j h PHE 188 N 0.82 0.28 0.00 2.20 3.57 -1.03 -2.67 116.94 120.11 2c4j h PHE 188 Ca 0.21 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2c4j h PHE 188 Cb 0.01 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 2c4j h PHE 188 CO -0.01 0.36 -0.04 0.93 -2.23 0.00 0.00 178.31 177.31 2c4j h GLU 189 N 0.12 0.00 0.00 1.11 5.08 -1.15 -2.40 114.58 117.34 2c4j h GLU 189 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2c4j h GLU 189 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2c4j h GLU 189 CO -0.00 0.04 -0.15 0.41 -1.00 0.00 0.00 179.01 178.30 2c4j n GLY 190 N -0.21 -1.51 3.75 -3.84 0.00 -0.25 -3.51 105.19 99.63 2c4j n GLY 190 Ca -0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2c4j n GLY 190 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c4j n LEU 191 N -1.77 4.50 -0.20 0.99 4.77 -0.91 -4.78 117.00 119.61 2c4j n LEU 191 Ca 0.06 1.16 -0.03 0.00 -0.03 0.00 0.00 56.01 57.17 2c4j n LEU 191 Cb 0.37 -1.61 0.03 0.00 -2.33 0.00 0.00 43.42 39.89 2c4j n LEU 191 CO 0.30 0.18 0.69 -0.08 -1.33 0.00 0.00 177.39 177.15 2c4j h GLU 192 N 4.42 -0.09 0.00 3.23 4.81 -1.90 0.34 114.58 125.39 2c4j h GLU 192 Ca -0.48 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 58.64 2c4j h GLU 192 Cb 1.23 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 2c4j h GLU 192 CO 0.76 -0.06 -0.58 0.87 -0.73 0.00 0.00 179.01 179.28 2c4j h LYS 193 N -0.09 0.00 -0.08 1.92 1.79 -1.91 -1.71 116.57 116.49 2c4j h LYS 193 Ca 0.26 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.69 2c4j h LYS 193 Cb 0.51 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2c4j h LYS 193 CO -0.65 0.58 -0.13 0.82 -1.08 0.00 0.00 179.45 178.99 2c4j h ILE 194 N 0.00 1.40 -0.30 1.86 1.08 -1.51 -1.53 117.51 118.50 2c4j h ILE 194 Ca -0.01 -1.40 -0.08 0.00 -0.39 0.00 0.00 64.86 62.99 2c4j h ILE 194 Cb 1.06 2.13 -0.02 0.00 -3.07 0.00 0.00 36.82 36.93 2c4j h ILE 194 CO 0.07 0.39 -0.15 0.77 -0.69 0.00 0.00 178.15 178.54 2c4j h SER 195 N -0.23 0.52 -0.75 1.72 4.64 -0.96 0.12 113.55 118.61 2c4j h SER 195 Ca 0.01 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 2c4j h SER 195 Cb 0.70 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 2c4j h SER 195 CO 0.03 0.69 0.42 0.00 -0.87 0.00 0.00 176.83 177.10 2c4j h ALA 196 N 1.36 0.96 -0.43 5.18 0.00 -1.30 -2.55 119.26 122.47 2c4j h ALA 196 Ca 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2c4j h ALA 196 Cb 0.55 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2c4j h ALA 196 CO 0.04 0.47 0.05 -0.92 0.00 0.00 0.00 179.25 178.88 2c4j h TYR 197 N 1.03 0.78 0.00 0.00 3.20 -0.63 -3.12 116.97 118.23 2c4j h TYR 197 Ca 0.26 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2c4j h TYR 197 Cb 0.03 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.08 2c4j h TYR 197 CO -0.00 0.75 0.00 0.52 -1.64 0.00 0.00 178.16 177.79 2c4j h MET 198 N 0.58 0.00 -0.17 1.82 2.86 -0.77 -1.45 114.93 117.81 2c4j h MET 198 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2c4j h MET 198 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2c4j h MET 198 CO 0.01 0.00 0.00 0.36 1.06 0.00 0.00 176.91 178.34 2c4j n LYS 199 N -2.97 1.92 -3.63 1.72 2.85 -0.98 -4.90 118.16 112.17 2c4j n LYS 199 Ca 0.00 -1.37 -0.20 0.00 -1.05 0.00 0.00 58.31 55.70 2c4j n LYS 199 Cb 0.27 -1.44 -0.02 0.00 -0.65 0.00 0.00 35.03 33.19 2c4j n LYS 199 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2c4j s SER 200 N -1.67 5.48 0.00 -5.58 1.04 -0.54 -5.01 113.70 107.42 2c4j s SER 200 Ca 0.34 -0.43 0.23 0.00 0.48 0.00 0.00 55.95 56.57 2c4j s SER 200 Cb 0.19 -0.98 1.12 0.00 0.10 0.00 0.00 66.02 66.45 2c4j s SER 200 CO 0.29 -0.44 1.75 -1.54 0.98 0.00 0.00 173.24 174.29 2c4j n SER 201 N -1.50 0.00 0.22 7.02 3.41 -1.26 -2.70 113.62 118.81 2c4j n SER 201 Ca -0.00 0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 2c4j n SER 201 Cb 0.59 -0.35 0.17 0.00 -0.26 0.00 0.00 64.21 64.36 2c4j n SER 201 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2c4j h ARG 202 N 0.00 0.00 -6.53 4.33 3.08 -1.95 -3.45 114.38 109.85 2c4j h ARG 202 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2c4j h ARG 202 Cb 0.27 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.34 2c4j h ARG 202 CO 0.00 0.02 0.72 0.12 -1.07 0.00 0.00 179.97 179.76 2c4j s PHE 203 N -3.20 3.23 -0.53 3.04 5.36 -1.10 -4.97 117.98 119.81 2c4j s PHE 203 Ca 0.07 0.96 0.06 0.00 -0.96 0.00 0.00 56.93 57.06 2c4j s PHE 203 Cb 0.05 -3.67 0.23 0.00 -0.34 0.00 0.00 43.02 39.29 2c4j s PHE 203 CO 0.67 -2.34 0.57 -0.11 -1.46 0.00 0.00 175.22 172.55 2c4j n LEU 204 N 4.02 1.74 0.24 6.12 7.94 -1.26 -4.93 117.00 130.87 2c4j n LEU 204 Ca 0.11 -4.98 0.14 0.00 -1.11 0.00 0.00 56.01 50.17 2c4j n LEU 204 Cb 0.43 -0.04 0.41 0.00 0.53 0.00 0.00 43.42 44.75 2c4j n LEU 204 CO 0.58 1.99 0.88 1.55 -1.11 0.00 0.00 177.39 181.28 2c4j h PRO 205 N 4.52 0.00 -3.79 1.96 0.13 -1.97 -3.36 132.00 129.49 2c4j h PRO 205 Ca 0.16 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.13 2c4j h PRO 205 Cb 0.79 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.72 2c4j h PRO 205 CO 0.62 0.02 -0.60 1.03 -0.23 0.00 0.00 178.00 178.84 2c4j s ARG 206 N -3.43 0.42 0.53 0.86 1.81 -1.26 -4.32 118.95 113.55 2c4j s ARG 206 Ca 0.04 -0.57 -0.21 0.00 -1.72 0.00 0.00 55.73 53.27 2c4j s ARG 206 Cb 0.07 0.16 -0.06 0.00 -0.45 0.00 0.00 34.95 34.68 2c4j s ARG 206 CO 0.61 -0.09 1.17 -1.25 -0.68 0.00 0.00 175.30 175.07 2c4j s PRO 207 N -1.65 3.38 0.11 3.54 0.04 -1.26 -4.70 135.00 134.46 2c4j s PRO 207 Ca -0.14 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.50 2c4j s PRO 207 Cb -0.07 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 2c4j s PRO 207 CO -0.01 -0.86 1.53 0.28 0.04 0.00 0.00 177.00 177.98 2c4j h VAL 208 N 1.36 1.27 -4.41 -0.36 2.07 -1.65 -0.35 116.25 114.19 2c4j h VAL 208 Ca -0.50 -1.05 -0.32 0.00 0.82 0.00 0.00 66.70 65.65 2c4j h VAL 208 Cb 1.27 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 2c4j h VAL 208 CO 0.58 0.34 -0.24 0.49 0.02 0.00 0.00 177.57 178.76 2c4j n PHE 209 N -4.48 0.48 -1.96 1.57 3.72 0.28 -1.02 117.46 116.05 2c4j n PHE 209 Ca -0.02 -1.28 -0.29 0.00 -0.05 0.00 0.00 57.45 55.81 2c4j n PHE 209 Cb 0.30 -0.13 0.14 0.00 -0.94 0.00 0.00 39.48 38.84 2c4j n PHE 209 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2c4j s SER 210 N -2.39 3.83 0.63 4.37 1.04 -1.26 -4.53 113.70 115.40 2c4j s SER 210 Ca 0.02 0.46 0.39 0.00 0.48 0.00 0.00 55.95 57.31 2c4j s SER 210 Cb 0.00 -0.73 2.17 0.00 0.10 0.00 0.00 66.02 67.56 2c4j s SER 210 CO 0.02 -2.29 2.31 0.11 0.98 0.00 0.00 173.24 174.36 2c4j h LYS 211 N -1.29 0.00 0.00 4.02 1.57 -1.93 -1.90 116.57 117.03 2c4j h LYS 211 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2c4j h LYS 211 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2c4j h LYS 211 CO 0.51 0.01 -0.09 -1.33 -0.57 0.00 0.00 179.45 177.97 2c4j n MET 212 N -3.31 0.01 -2.16 3.15 2.81 -1.26 -4.91 117.12 111.45 2c4j n MET 212 Ca -0.03 0.01 -0.35 0.00 -1.81 0.00 0.00 57.70 55.52 2c4j n MET 212 Cb 0.09 -1.51 0.01 0.00 -0.71 0.00 0.00 33.22 31.10 2c4j n MET 212 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c4j s ALA 213 N -3.01 2.64 0.06 3.04 0.00 -0.72 -4.94 121.76 118.84 2c4j s ALA 213 Ca 0.13 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 52.76 2c4j s ALA 213 Cb 0.18 -3.37 -0.29 0.00 0.00 0.00 0.00 23.12 19.65 2c4j s ALA 213 CO 0.56 -0.89 1.11 0.28 0.00 0.00 0.00 175.76 176.83 2c4j h VAL 214 N 1.00 1.28 -4.44 0.00 2.07 -0.71 -3.40 116.25 112.06 2c4j h VAL 214 Ca -0.50 -2.46 -0.67 0.00 0.82 0.00 0.00 66.70 63.89 2c4j h VAL 214 Cb 1.26 2.68 -0.30 0.00 -1.52 0.00 0.00 31.29 33.41 2c4j h VAL 214 CO 0.56 0.75 -0.88 0.86 0.02 0.00 0.00 177.57 178.88 2c4j s TRP 215 N -3.00 2.23 0.00 1.57 -0.00 -0.97 -4.75 118.94 114.01 2c4j s TRP 215 Ca -0.09 -0.48 0.00 0.00 -0.00 0.00 0.00 56.10 55.53 2c4j s TRP 215 Cb 0.06 -1.44 0.00 0.00 -0.00 0.00 0.00 33.47 32.09 2c4j s TRP 215 CO 0.93 -0.08 0.00 0.41 -0.00 0.00 0.00 176.95 178.22 2c4j n GLY 216 N 2.59 0.60 0.11 5.86 0.00 -1.26 -4.73 105.19 108.36 2c4j n GLY 216 Ca -0.16 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.42 2c4j n GLY 216 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2c4j h ASN 217 N 0.00 0.00 0.00 1.61 -1.07 -1.78 0.93 115.58 115.26 2c4j h ASN 217 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.34 2c4j h ASN 217 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2c4j h ASN 217 CO 0.00 0.01 0.00 0.29 0.07 0.00 0.00 177.43 177.80