#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 2.16 -0.16 0.54 -1.94 -0.41 -4.78 119.30 114.71 2c4j s MET 3 Ca 0.00 1.48 0.00 0.00 -1.71 0.00 0.00 55.69 55.46 2c4j s MET 3 Cb 0.00 -1.86 0.00 0.00 2.01 0.00 0.00 34.83 34.98 2c4j s MET 3 CO 0.00 -1.76 -0.16 0.99 -0.01 0.00 0.00 175.02 174.08 2c4j s THR 4 N -2.42 2.59 -0.30 2.05 2.01 -0.07 -0.19 115.64 119.31 2c4j s THR 4 Ca 0.68 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 2c4j s THR 4 Cb -0.23 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.19 2c4j s THR 4 CO 0.49 0.51 0.11 -0.22 -0.69 0.00 0.00 174.62 174.82 2c4j s LEU 5 N 0.93 3.97 -0.18 4.42 2.96 -0.09 -0.59 118.68 130.09 2c4j s LEU 5 Ca -0.03 -0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 53.17 2c4j s LEU 5 Cb -0.15 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2c4j s LEU 5 CO -0.02 -0.19 0.08 -0.83 -1.32 0.00 0.00 176.35 174.06 2c4j s GLY 6 N 1.55 1.95 0.12 7.98 0.00 0.07 -1.01 107.32 117.97 2c4j s GLY 6 Ca 0.03 -0.73 -0.26 0.00 0.00 0.00 0.00 44.72 43.77 2c4j s GLY 6 CO 0.04 0.02 0.87 -0.47 0.00 0.00 0.00 173.10 173.56 2c4j s TYR 7 N 0.23 -0.26 0.81 1.90 5.04 -0.91 -1.48 117.35 122.68 2c4j s TYR 7 Ca 0.05 0.00 -0.14 0.00 -2.44 0.00 0.00 57.07 54.55 2c4j s TYR 7 Cb -0.12 0.60 0.04 0.00 0.35 0.00 0.00 41.96 42.84 2c4j s TYR 7 CO -0.00 -0.78 0.89 0.91 -1.34 0.00 0.00 175.55 175.23 2c4j n TRP 8 N -0.38 0.27 -1.46 4.97 7.02 -1.26 -1.29 117.44 125.30 2c4j n TRP 8 Ca -0.08 0.36 -0.37 0.00 -1.02 0.00 0.00 57.50 56.39 2c4j n TRP 8 Cb 0.61 -2.00 -0.03 0.00 -2.42 0.00 0.00 31.31 27.47 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 -2.16 8.28 -4.12 -0.99 4.05 0.17 -4.65 115.26 115.84 2c4j n ASN 9 Ca 0.11 -2.73 -0.11 0.00 0.45 0.00 0.00 54.58 52.31 2c4j n ASN 9 Cb 0.51 -1.49 -0.08 0.00 1.23 0.00 0.00 39.78 39.94 2c4j n ASN 9 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2c4j s ILE 10 N 1.12 0.01 0.00 -1.44 -4.36 -1.26 -4.66 121.20 110.61 2c4j s ILE 10 Ca 0.65 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.27 2c4j s ILE 10 Cb 0.20 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.58 2c4j s ILE 10 CO -0.07 -0.06 0.78 -1.14 0.24 0.00 0.00 174.94 174.68 2c4j n ARG 11 N -0.28 0.00 0.00 0.37 0.63 -0.01 -4.81 116.66 112.55 2c4j n ARG 11 Ca -0.00 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 2c4j n ARG 11 Cb 0.64 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 32.23 2c4j n ARG 11 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2c4j n GLY 12 N -0.51 1.78 0.00 5.14 0.00 -0.33 -2.38 105.19 108.88 2c4j n GLY 12 Ca 0.00 -0.23 0.14 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 0.00 -0.17 0.99 4.77 -1.26 -3.55 117.00 117.77 2c4j n LEU 13 Ca 0.00 0.14 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 2c4j n LEU 13 Cb 0.00 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2c4j n LEU 13 CO 0.00 -0.01 0.15 0.00 -1.33 0.00 0.00 177.39 176.21 2c4j n ALA 14 N -1.14 4.16 0.08 -1.18 0.00 -1.00 -4.54 120.51 116.89 2c4j n ALA 14 Ca 0.18 -0.58 -0.12 0.00 0.00 0.00 0.00 53.44 52.92 2c4j n ALA 14 Cb 0.16 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 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 0.86 -0.44 -0.43 0.00 6.17 -1.57 0.63 115.15 120.36 2c4j h HIS 15 Ca 0.00 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.04 2c4j h HIS 15 Cb 0.58 0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.68 2c4j h HIS 15 CO 0.00 -0.25 0.05 0.77 0.71 0.00 0.00 177.93 179.21 2c4j h SER 16 N -0.31 0.63 -0.16 3.26 0.02 -1.82 -1.60 113.55 113.57 2c4j h SER 16 Ca 0.03 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2c4j h SER 16 Cb 0.35 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2c4j h SER 16 CO -0.12 0.66 -0.06 0.40 -1.14 0.00 0.00 176.83 176.58 2c4j h ILE 17 N 0.64 1.30 -0.41 3.27 2.04 -1.70 -0.48 117.51 122.17 2c4j h ILE 17 Ca 0.14 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.95 2c4j h ILE 17 Cb 0.33 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 2c4j h ILE 17 CO 0.01 0.31 0.24 0.03 0.00 0.00 0.00 178.15 178.75 2c4j h ARG 18 N 0.01 0.48 -0.82 2.37 3.08 -0.67 0.43 114.38 119.26 2c4j h ARG 18 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2c4j h ARG 18 Cb 0.51 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 2c4j h ARG 18 CO 0.02 0.32 0.51 -0.07 -1.07 0.00 0.00 179.97 179.68 2c4j h LEU 19 N 0.49 0.96 -0.52 3.04 3.38 -1.21 -0.87 115.31 120.58 2c4j h LEU 19 Ca 0.16 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2c4j h LEU 19 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2c4j h LEU 19 CO -0.07 0.73 -0.21 0.25 0.09 0.00 0.00 178.44 179.22 2c4j h LEU 20 N 1.11 1.00 -0.71 1.67 5.85 -0.60 -0.35 115.31 123.29 2c4j h LEU 20 Ca 0.29 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2c4j h LEU 20 Cb -0.07 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 2c4j h LEU 20 CO -0.06 1.17 0.45 -0.07 -0.34 0.00 0.00 178.44 179.59 2c4j h LEU 21 N 0.85 0.75 -0.36 2.25 3.38 -0.62 -1.59 115.31 119.97 2c4j h LEU 21 Ca 0.11 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2c4j h LEU 21 Cb 0.79 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2c4j h LEU 21 CO 0.07 0.52 -0.01 -0.33 0.09 0.00 0.00 178.44 178.77 2c4j h GLU 22 N 0.89 0.64 -0.45 1.13 4.39 -0.92 -0.49 114.58 119.76 2c4j h GLU 22 Ca 0.28 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2c4j h GLU 22 Cb -0.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2c4j h GLU 22 CO -0.10 0.76 0.18 -0.92 -1.16 0.00 0.00 179.01 177.77 2c4j h TYR 23 N 0.45 0.64 -0.22 4.33 3.20 -0.85 -2.30 116.97 122.22 2c4j h TYR 23 Ca 0.10 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2c4j h TYR 23 Cb 0.48 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2c4j h TYR 23 CO 0.04 0.50 0.00 0.25 -1.64 0.00 0.00 178.16 177.31 2c4j n THR 24 N -4.37 0.29 -3.18 1.81 -2.24 -0.62 -4.92 114.28 101.06 2c4j n THR 24 Ca 0.03 -0.37 -0.23 0.00 -2.27 0.00 0.00 64.05 61.22 2c4j n THR 24 Cb 0.15 0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.69 2c4j n THR 24 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2c4j n ASP 25 N 0.32 -5.76 -4.76 3.42 8.00 -0.86 -4.95 116.55 111.96 2c4j n ASP 25 Ca 0.14 -0.35 -0.40 0.00 0.71 0.00 0.00 54.79 54.89 2c4j n ASP 25 Cb 0.29 -4.64 -0.04 0.00 -0.02 0.00 0.00 41.12 36.71 2c4j n ASP 25 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2c4j s SER 26 N -2.80 7.22 -0.35 -2.24 0.01 -0.21 -5.00 113.70 110.33 2c4j s SER 26 Ca 0.37 2.19 -0.21 0.00 1.31 0.00 0.00 55.95 59.60 2c4j s SER 26 Cb -0.17 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2c4j s SER 26 CO 0.45 -0.17 0.69 -0.55 0.41 0.00 0.00 173.24 174.07 2c4j s SER 27 N -1.05 6.49 0.06 2.44 0.15 -1.26 -4.81 113.70 115.72 2c4j s SER 27 Ca 0.47 0.29 -0.12 0.00 0.70 0.00 0.00 55.95 57.28 2c4j s SER 27 Cb -0.29 -2.35 0.01 0.00 -1.71 0.00 0.00 66.02 61.68 2c4j s SER 27 CO 0.37 -0.61 0.27 -0.72 1.20 0.00 0.00 173.24 173.75 2c4j s TYR 28 N 2.81 -0.04 0.15 3.44 1.13 -1.26 -1.29 117.35 122.30 2c4j s TYR 28 Ca 0.27 -0.18 0.09 0.00 -1.41 0.00 0.00 57.07 55.84 2c4j s TYR 28 Cb -0.14 0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.74 2c4j s TYR 28 CO 0.15 -0.51 -0.20 -1.21 -2.51 0.00 0.00 175.55 171.26 2c4j s GLU 29 N -2.87 1.29 -0.15 -3.49 2.02 0.73 -4.88 118.70 111.35 2c4j s GLU 29 Ca -0.03 -1.37 -0.04 0.00 0.02 0.00 0.00 54.97 53.56 2c4j s GLU 29 Cb 0.00 -1.47 -0.03 0.00 0.10 0.00 0.00 34.13 32.74 2c4j s GLU 29 CO -0.05 0.31 -0.02 -1.21 0.02 0.00 0.00 175.26 174.31 2c4j s GLU 30 N -2.53 3.60 -0.38 1.61 2.02 -1.26 -0.91 118.70 120.85 2c4j s GLU 30 Ca 0.14 -0.49 -0.17 0.00 0.02 0.00 0.00 54.97 54.48 2c4j s GLU 30 Cb -0.07 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 31.24 2c4j s GLU 30 CO 0.07 0.31 0.42 0.21 0.02 0.00 0.00 175.26 176.29 2c4j s LYS 31 N 0.18 3.38 -0.23 1.61 2.47 -0.18 -4.93 119.74 122.04 2c4j s LYS 31 Ca -0.01 -0.52 -0.09 0.00 -1.56 0.00 0.00 55.97 53.80 2c4j s LYS 31 Cb -0.14 -3.87 -0.04 0.00 -1.46 0.00 0.00 37.83 32.32 2c4j s LYS 31 CO 0.02 -0.68 0.11 0.15 0.16 0.00 0.00 175.35 175.12 2c4j s LYS 32 N 2.13 3.91 -0.06 4.03 1.02 -1.26 -2.14 119.74 127.37 2c4j s LYS 32 Ca 0.13 -0.36 -0.03 0.00 0.02 0.00 0.00 55.97 55.74 2c4j s LYS 32 Cb -0.17 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 2c4j s LYS 32 CO 0.13 0.01 0.07 0.71 -0.92 0.00 0.00 175.35 175.35 2c4j s TYR 33 N 1.15 3.33 -0.11 3.18 2.02 -0.41 -4.87 117.35 121.64 2c4j s TYR 33 Ca 0.06 0.29 0.03 0.00 -0.37 0.00 0.00 57.07 57.08 2c4j s TYR 33 Cb -0.14 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 2c4j s TYR 33 CO 0.04 0.58 -0.21 0.99 -1.57 0.00 0.00 175.55 175.37 2c4j s THR 34 N -1.04 1.91 0.45 -0.71 2.01 -1.26 -0.66 115.64 116.33 2c4j s THR 34 Ca 0.17 -0.92 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 2c4j s THR 34 Cb -0.12 -1.67 -0.10 0.00 0.01 0.00 0.00 72.50 70.62 2c4j s THR 34 CO 0.07 0.52 0.95 -0.32 -0.69 0.00 0.00 174.62 175.16 2c4j s MET 35 N 0.55 4.15 0.99 4.92 1.75 -1.26 -4.64 119.30 125.76 2c4j s MET 35 Ca -0.14 1.06 -0.15 0.00 -1.25 0.00 0.00 55.69 55.21 2c4j s MET 35 Cb -0.17 -2.18 0.19 0.00 2.84 0.00 0.00 34.83 35.51 2c4j s MET 35 CO 0.05 -0.08 1.18 0.20 -0.65 0.00 0.00 175.02 175.72 2c4j s GLY 36 N -2.40 1.63 0.78 2.11 0.00 0.89 -4.89 107.32 105.44 2c4j s GLY 36 Ca 0.61 -0.81 -0.07 0.00 0.00 0.00 0.00 44.72 44.46 2c4j s GLY 36 CO 0.18 -0.11 1.09 0.99 0.00 0.00 0.00 173.10 175.25 2c4j s ASP 37 N -4.23 4.11 0.70 1.64 1.01 -1.26 -3.98 116.67 114.66 2c4j s ASP 37 Ca 0.68 0.04 -0.16 0.00 0.71 0.00 0.00 52.55 53.82 2c4j s ASP 37 Cb -0.11 -0.39 0.02 0.00 1.01 0.00 0.00 42.92 43.45 2c4j s ASP 37 CO 0.54 -2.04 1.20 0.00 0.21 0.00 0.00 175.17 175.08 2c4j s ALA 38 N -3.38 2.24 -1.02 5.23 0.00 -1.26 -1.00 121.76 122.56 2c4j s ALA 38 Ca 0.67 0.88 0.26 0.00 0.00 0.00 0.00 51.96 53.77 2c4j s ALA 38 Cb -0.06 -3.46 0.71 0.00 0.00 0.00 0.00 23.12 20.31 2c4j s ALA 38 CO 0.47 -1.69 1.56 -0.35 0.00 0.00 0.00 175.76 175.75 2c4j n PRO 39 N -2.47 0.02 0.08 0.00 -0.04 -1.26 -4.80 135.00 126.54 2c4j n PRO 39 Ca 0.13 -0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.64 2c4j n PRO 39 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 2c4j n PRO 39 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2c4j h ASP 40 N 0.03 0.00 -6.40 3.54 2.03 -1.93 -3.48 116.42 110.20 2c4j h ASP 40 Ca 0.00 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.82 2c4j h ASP 40 Cb 0.50 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.02 2c4j h ASP 40 CO 0.00 0.28 -0.92 -1.22 -1.03 0.00 0.00 179.24 176.35 2c4j n TYR 41 N -2.82 -1.75 -1.56 4.15 4.02 -0.17 -4.77 117.16 114.26 2c4j n TYR 41 Ca -0.04 0.55 -0.58 0.00 -0.01 0.00 0.00 57.90 57.82 2c4j n TYR 41 Cb 0.68 -3.53 -0.09 0.00 -0.02 0.00 0.00 39.34 36.39 2c4j n TYR 41 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2c4j n ASP 42 N -2.77 1.82 -1.41 7.72 2.03 -1.26 -4.45 116.55 118.23 2c4j n ASP 42 Ca -0.19 0.86 0.11 0.00 0.52 0.00 0.00 54.79 56.09 2c4j n ASP 42 Cb 0.63 -1.08 0.33 0.00 -0.72 0.00 0.00 41.12 40.29 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 6.25 2.95 -0.34 -0.67 1.74 -1.26 -0.08 116.66 125.25 2c4j n ARG 43 Ca 0.36 -2.72 0.16 0.00 -0.77 0.00 0.00 57.85 54.88 2c4j n ARG 43 Cb 0.09 -1.64 0.35 0.00 -1.02 0.00 0.00 32.46 30.24 2c4j n ARG 43 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2c4j h SER 44 N 4.27 0.65 -0.60 0.55 0.87 -1.90 -0.79 113.55 116.61 2c4j h SER 44 Ca 0.00 0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.78 2c4j h SER 44 Cb 1.09 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 2c4j h SER 44 CO 0.05 0.13 0.40 -0.61 -0.53 0.00 0.00 176.83 176.27 2c4j h GLN 45 N 0.60 0.44 0.01 2.24 4.15 -1.83 0.26 115.11 120.98 2c4j h GLN 45 Ca 0.61 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.88 2c4j h GLN 45 Cb 1.11 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.69 2c4j h GLN 45 CO -0.46 0.29 -0.68 2.35 -1.93 0.00 0.00 178.83 178.41 2c4j h TRP 46 N 0.46 0.03 -0.02 3.99 -0.00 -1.52 -3.39 115.95 115.49 2c4j h TRP 46 Ca 0.27 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 59.10 2c4j h TRP 46 Cb 0.47 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.62 2c4j h TRP 46 CO -0.00 1.26 -0.16 -0.07 -0.00 0.00 0.00 178.44 179.48 2c4j h LEU 47 N -0.95 0.03 -0.40 0.65 3.38 -0.91 0.12 115.31 117.23 2c4j h LEU 47 Ca -0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2c4j h LEU 47 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2c4j h LEU 47 CO -0.09 0.19 0.00 0.59 0.09 0.00 0.00 178.44 179.21 2c4j n ASN 48 N -4.34 0.45 0.00 -0.43 3.02 0.05 -3.41 115.26 110.60 2c4j n ASN 48 Ca -0.02 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 2c4j n ASN 48 Cb 0.23 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 2c4j n ASN 48 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2c4j n GLU 49 N -1.99 0.17 -0.34 3.52 0.28 -0.44 -4.87 120.64 116.97 2c4j n GLU 49 Ca 0.03 -0.48 0.17 0.00 -0.16 0.00 0.00 57.16 56.72 2c4j n GLU 49 Cb 0.24 -0.73 0.38 0.00 1.43 0.00 0.00 31.44 32.75 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 0.50 -0.65 3.44 3.64 -0.84 -1.48 116.57 121.19 2c4j h LYS 50 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2c4j h LYS 50 Cb 0.44 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2c4j h LYS 50 CO 0.00 0.33 0.00 1.19 -2.27 0.00 0.00 179.45 178.70 2c4j n PHE 51 N -4.94 1.46 -0.61 1.91 3.72 -1.26 -4.31 117.46 113.43 2c4j n PHE 51 Ca 0.26 -0.61 0.06 0.00 -0.05 0.00 0.00 57.45 57.12 2c4j n PHE 51 Cb 0.75 -0.23 0.15 0.00 -0.94 0.00 0.00 39.48 39.20 2c4j n PHE 51 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2c4j n LYS 52 N 1.13 2.53 0.00 -1.08 5.02 -0.56 -4.64 118.16 120.57 2c4j n LYS 52 Ca 0.26 -2.31 0.03 0.00 -2.02 0.00 0.00 58.31 54.27 2c4j n LYS 52 Cb 0.88 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 34.46 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 -0.48 1.38 -0.04 -0.35 4.77 -1.25 -5.00 117.00 116.02 2c4j n LEU 53 Ca 0.13 -0.94 -0.01 0.00 -0.03 0.00 0.00 56.01 55.17 2c4j n LEU 53 Cb 0.59 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2c4j n LEU 53 CO 0.07 0.29 -0.01 0.61 -1.33 0.00 0.00 177.39 177.02 2c4j n GLY 54 N 0.46 0.47 3.74 -0.72 0.00 -1.26 -5.02 105.19 102.86 2c4j n GLY 54 Ca 0.03 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.12 4.58 0.18 0.99 1.43 -1.26 -4.96 118.68 119.51 2c4j s LEU 55 Ca 0.00 1.89 -0.07 0.00 -1.03 0.00 0.00 54.13 54.92 2c4j s LEU 55 Cb 0.00 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.69 2c4j s LEU 55 CO 0.00 0.05 1.55 0.44 0.23 0.00 0.00 176.35 178.62 2c4j h ASP 56 N 4.79 0.89 -2.50 2.29 3.32 -1.95 -3.36 116.42 119.90 2c4j h ASP 56 Ca -0.44 -0.37 -0.59 0.00 0.02 0.00 0.00 57.03 55.65 2c4j h ASP 56 Cb 1.21 -0.25 -0.39 0.00 0.22 0.00 0.00 39.33 40.11 2c4j h ASP 56 CO 0.70 1.12 -0.87 0.49 -1.72 0.00 0.00 179.24 178.96 2c4j n PHE 57 N -4.08 0.46 -1.60 4.55 3.01 -1.26 -5.11 117.46 113.44 2c4j n PHE 57 Ca -0.01 -3.64 -0.49 0.00 1.01 0.00 0.00 57.45 54.32 2c4j n PHE 57 Cb 0.49 -0.08 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 2c4j n PHE 57 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2c4j n PRO 58 N 2.33 1.38 -3.69 -1.08 -0.02 -1.26 -4.85 135.00 127.82 2c4j n PRO 58 Ca 0.26 0.50 -0.03 0.00 -2.02 0.00 0.00 63.50 62.20 2c4j n PRO 58 Cb 0.45 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.25 -0.19 -0.08 2.55 3.84 -1.26 -5.11 114.94 114.95 2c4j s ASN 59 Ca 0.76 -0.28 0.05 0.00 0.21 0.00 0.00 52.86 53.60 2c4j s ASN 59 Cb -0.83 0.41 -0.00 0.00 -0.55 0.00 0.00 41.25 40.27 2c4j s ASN 59 CO 0.49 -0.74 -0.24 -0.76 -2.79 0.00 0.00 177.10 173.07 2c4j s LEU 60 N -2.85 2.06 0.63 3.21 1.43 -1.26 -3.92 118.68 117.97 2c4j s LEU 60 Ca 0.11 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.56 2c4j s LEU 60 Cb -0.00 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 2c4j s LEU 60 CO -0.01 0.19 1.05 -2.16 0.23 0.00 0.00 176.35 175.65 2c4j s PRO 61 N 0.11 3.27 0.11 1.29 0.04 -1.26 -4.95 135.00 133.61 2c4j s PRO 61 Ca -0.11 1.01 0.05 0.00 0.04 0.00 0.00 61.00 62.00 2c4j s PRO 61 Cb -0.16 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2c4j s PRO 61 CO 0.06 -0.84 -0.13 1.52 0.04 0.00 0.00 177.00 177.65 2c4j s TYR 62 N -2.81 1.34 -0.09 0.56 1.13 -0.55 -3.88 117.35 113.05 2c4j s TYR 62 Ca 0.60 -0.56 0.01 0.00 -1.41 0.00 0.00 57.07 55.71 2c4j s TYR 62 Cb -0.14 -0.71 0.02 0.00 -1.10 0.00 0.00 41.96 40.03 2c4j s TYR 62 CO 0.46 0.12 -0.12 -1.17 -2.51 0.00 0.00 175.55 172.32 2c4j s LEU 63 N -2.40 1.58 -0.24 -3.49 2.96 0.28 -0.75 118.68 116.61 2c4j s LEU 63 Ca 0.08 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 2c4j s LEU 63 Cb -0.05 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.69 2c4j s LEU 63 CO 0.02 -0.01 0.05 -0.63 -1.32 0.00 0.00 176.35 174.47 2c4j s ILE 64 N 1.01 4.12 -0.42 6.68 -1.09 0.24 -0.77 121.20 130.97 2c4j s ILE 64 Ca -0.07 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.12 2c4j s ILE 64 Cb -0.15 -2.92 0.14 0.00 -1.58 0.00 0.00 42.46 37.95 2c4j s ILE 64 CO -0.01 0.35 0.25 -0.62 -1.23 0.00 0.00 174.94 173.68 2c4j s ASP 65 N 1.59 3.27 1.99 3.58 2.15 0.50 -0.89 116.67 128.86 2c4j s ASP 65 Ca 0.06 -2.56 0.00 0.00 0.43 0.00 0.00 52.55 50.48 2c4j s ASP 65 Cb -0.15 -0.79 0.00 0.00 -0.30 0.00 0.00 42.92 41.68 2c4j s ASP 65 CO 0.02 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 2c4j n GLY 66 N 3.60 3.17 0.19 2.66 0.00 -1.26 -1.54 105.19 112.00 2c4j n GLY 66 Ca 0.12 0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.50 2c4j n GLY 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2c4j h THR 67 N 0.00 0.14 -3.09 2.61 1.35 -2.01 -3.44 112.91 108.47 2c4j h THR 67 Ca 0.00 -1.21 -0.57 0.00 -0.55 0.00 0.00 66.41 64.08 2c4j h THR 67 Cb 0.00 1.99 -0.05 0.00 -1.73 0.00 0.00 68.15 68.35 2c4j h THR 67 CO 0.00 0.08 0.87 -1.00 -0.25 0.00 0.00 175.52 175.22 2c4j s HIS 68 N -3.19 3.03 -0.19 4.73 4.02 -0.59 -5.01 115.29 118.10 2c4j s HIS 68 Ca 0.05 1.16 0.01 0.00 1.02 0.00 0.00 55.06 57.30 2c4j s HIS 68 Cb 0.06 -3.55 0.03 0.00 -1.02 0.00 0.00 32.58 28.11 2c4j s HIS 68 CO 0.70 -1.13 -0.14 0.15 1.02 0.00 0.00 174.74 175.35 2c4j s LYS 69 N 3.56 2.34 -0.05 1.40 1.02 -1.26 -0.37 119.74 126.37 2c4j s LYS 69 Ca 0.50 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.71 2c4j s LYS 69 Cb -0.17 -2.41 0.01 0.00 -0.52 0.00 0.00 37.83 34.74 2c4j s LYS 69 CO 0.14 -0.34 -0.13 0.42 -0.92 0.00 0.00 175.35 174.52 2c4j s ILE 70 N 1.37 1.15 0.47 2.17 1.01 0.05 -4.80 121.20 122.62 2c4j s ILE 70 Ca 0.01 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2c4j s ILE 70 Cb -0.15 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 2c4j s ILE 70 CO -0.10 0.35 0.04 0.42 0.00 0.00 0.00 174.94 175.65 2c4j s THR 71 N 0.41 1.54 0.00 2.92 -4.23 -1.26 -0.56 115.64 114.46 2c4j s THR 71 Ca -0.10 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 2c4j s THR 71 Cb -0.13 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.22 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 -1.19 -0.27 -0.27 3.99 1.13 -1.25 -4.46 117.38 115.06 2c4j n GLN 72 Ca -0.12 0.67 0.05 0.00 -1.94 0.00 0.00 57.00 55.65 2c4j n GLN 72 Cb 0.67 -0.61 0.19 0.00 0.11 0.00 0.00 30.24 30.60 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 0.22 0.43 -0.44 1.08 4.64 -1.92 0.54 113.55 118.10 2c4j h SER 73 Ca 0.00 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 2c4j h SER 73 Cb 0.00 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2c4j h SER 73 CO 0.00 0.20 0.10 0.78 -0.87 0.00 0.00 176.83 177.04 2c4j h ASN 74 N 0.56 0.73 -0.46 4.97 2.35 -1.95 -1.17 115.58 120.62 2c4j h ASN 74 Ca 0.42 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.94 2c4j h ASN 74 Cb 0.57 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2c4j h ASN 74 CO -0.35 0.74 -0.07 0.00 -1.65 0.00 0.00 177.43 176.09 2c4j h ALA 75 N 1.36 0.92 -0.22 -0.83 0.00 -1.20 -1.00 119.26 118.28 2c4j h ALA 75 Ca 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2c4j h ALA 75 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2c4j h ALA 75 CO 0.00 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.75 2c4j h ILE 76 N 0.82 1.21 -0.32 0.00 2.04 -0.84 -0.98 117.51 119.45 2c4j h ILE 76 Ca 0.14 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.32 2c4j h ILE 76 Cb 0.59 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 2c4j h ILE 76 CO 0.04 0.22 0.15 -0.07 0.00 0.00 0.00 178.15 178.49 2c4j h LEU 77 N 0.17 0.23 -1.02 1.44 3.38 -1.12 -1.85 115.31 116.53 2c4j h LEU 77 Ca 0.07 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2c4j h LEU 77 Cb 0.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2c4j h LEU 77 CO 0.00 0.17 0.01 0.03 0.09 0.00 0.00 178.44 178.75 2c4j h ARG 78 N 0.32 0.72 0.09 1.13 3.08 -1.10 0.23 114.38 118.85 2c4j h ARG 78 Ca 0.13 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2c4j h ARG 78 Cb 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2c4j h ARG 78 CO -0.09 0.72 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.57 2c4j h TYR 79 N 0.68 -0.11 -0.54 3.04 3.20 -0.81 -0.11 116.97 122.31 2c4j h TYR 79 Ca 0.14 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 2c4j h TYR 79 Cb 0.40 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2c4j h TYR 79 CO 0.02 -0.05 0.19 0.82 -1.64 0.00 0.00 178.16 177.50 2c4j h ILE 80 N -0.13 1.23 -0.53 1.81 2.04 -1.14 -2.86 117.51 117.92 2c4j h ILE 80 Ca -0.01 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2c4j h ILE 80 Cb 0.10 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2c4j h ILE 80 CO 0.02 0.28 0.33 0.00 0.00 0.00 0.00 178.15 178.77 2c4j h ALA 81 N 1.05 0.68 -0.79 1.87 0.00 -0.76 -2.56 119.26 118.75 2c4j h ALA 81 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2c4j h ALA 81 Cb 0.24 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2c4j h ALA 81 CO -0.01 0.15 0.44 0.00 0.00 0.00 0.00 179.25 179.83 2c4j h ARG 82 N 0.71 1.08 -0.08 0.00 3.08 -0.94 0.83 114.38 119.07 2c4j h ARG 82 Ca 0.19 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2c4j h ARG 82 Cb -0.03 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 2c4j h ARG 82 CO -0.04 0.79 0.01 -0.22 -1.07 0.00 0.00 179.97 179.45 2c4j h LYS 83 N 1.09 0.10 -0.10 0.04 3.64 -1.23 -3.00 116.57 117.12 2c4j h LYS 83 Ca 0.28 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2c4j h LYS 83 Cb 0.02 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2c4j h LYS 83 CO -0.05 0.10 0.00 0.72 -2.27 0.00 0.00 179.45 177.96 2c4j n HIS 84 N -4.49 0.32 -3.72 1.91 8.25 -0.80 -4.99 115.22 111.71 2c4j n HIS 84 Ca -0.02 -0.91 -0.25 0.00 -0.26 0.00 0.00 57.72 56.28 2c4j n HIS 84 Cb 0.12 -0.19 0.05 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.00 -4.48 -2.40 0.41 5.15 -0.48 -4.91 115.26 107.55 2c4j n ASN 85 Ca 0.16 -0.69 -0.31 0.00 -0.60 0.00 0.00 54.58 53.15 2c4j n ASN 85 Cb 0.68 -4.45 0.04 0.00 -0.53 0.00 0.00 39.78 35.52 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 -4.68 6.18 -4.40 1.20 4.77 0.16 -5.00 117.00 115.24 2c4j n LEU 86 Ca -0.06 -4.76 -0.20 0.00 -0.03 0.00 0.00 56.01 50.96 2c4j n LEU 86 Cb 0.58 -0.69 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 2c4j n LEU 86 CO 0.69 1.90 -0.43 0.00 -1.33 0.00 0.00 177.39 178.22 2c4j s GLY 88 N -3.40 2.89 -0.14 0.00 0.00 -1.26 -4.97 107.32 100.44 2c4j s GLY 88 Ca 0.26 1.33 -0.09 0.00 0.00 0.00 0.00 44.72 46.22 2c4j s GLY 88 CO 0.10 1.87 -0.22 1.18 0.00 0.00 0.00 173.10 176.03 2c4j n GLU 89 N -0.71 0.35 -1.69 2.90 1.02 -1.26 -4.74 120.64 116.51 2c4j n GLU 89 Ca 0.08 0.15 -0.30 0.00 -0.02 0.00 0.00 57.16 57.07 2c4j n GLU 89 Cb 0.44 -1.09 0.06 0.00 -0.02 0.00 0.00 31.44 30.84 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 -6.33 5.11 0.17 1.62 1.04 -1.26 -4.84 113.70 109.21 2c4j s SER 90 Ca -0.22 1.32 -0.14 0.00 0.48 0.00 0.00 55.95 57.39 2c4j s SER 90 Cb 0.07 -2.13 0.09 0.00 0.10 0.00 0.00 66.02 64.15 2c4j s SER 90 CO 0.28 -1.57 1.79 -0.08 0.98 0.00 0.00 173.24 174.64 2c4j h GLU 91 N -0.81 0.48 -0.82 4.02 4.57 -1.99 -0.02 114.58 120.00 2c4j h GLU 91 Ca -0.45 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 2c4j h GLU 91 Cb 1.25 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.69 2c4j h GLU 91 CO 0.60 0.32 0.48 0.87 -1.18 0.00 0.00 179.01 180.10 2c4j h LYS 92 N 0.49 1.13 -0.69 1.92 1.79 -1.99 -0.31 116.57 118.90 2c4j h LYS 92 Ca 0.19 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2c4j h LYS 92 Cb 0.07 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.46 2c4j h LYS 92 CO -0.12 0.81 0.26 0.93 -1.08 0.00 0.00 179.45 180.25 2c4j h GLU 93 N 1.13 1.05 -0.31 3.15 5.08 -1.79 -1.46 114.58 121.43 2c4j h GLU 93 Ca 0.29 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 2c4j h GLU 93 Cb -0.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2c4j h GLU 93 CO -0.05 0.88 -0.28 1.96 -1.00 0.00 0.00 179.01 180.51 2c4j h GLN 94 N 1.00 0.65 -0.17 2.33 4.20 -0.28 0.17 115.11 123.00 2c4j h GLN 94 Ca 0.23 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2c4j h GLN 94 Cb 0.23 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2c4j h GLN 94 CO -0.02 0.86 0.06 0.82 -0.67 0.00 0.00 178.83 179.88 2c4j h ILE 95 N 0.56 1.17 -0.66 2.54 2.04 -0.91 -1.08 117.51 121.16 2c4j h ILE 95 Ca 0.07 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.45 2c4j h ILE 95 Cb 0.77 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 2c4j h ILE 95 CO 0.06 0.16 0.41 0.03 0.00 0.00 0.00 178.15 178.81 2c4j h ARG 96 N 0.11 0.76 -0.21 2.37 3.08 -1.08 -0.38 114.38 119.05 2c4j h ARG 96 Ca 0.06 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.08 2c4j h ARG 96 Cb 0.19 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2c4j h ARG 96 CO -0.00 0.51 0.06 1.49 -1.07 0.00 0.00 179.97 180.95 2c4j h GLU 97 N 0.79 0.15 -0.33 0.04 4.81 -0.77 -0.22 114.58 119.04 2c4j h GLU 97 Ca 0.27 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.37 2c4j h GLU 97 Cb 0.05 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2c4j h GLU 97 CO -0.12 0.10 -0.27 -0.44 -0.73 0.00 0.00 179.01 177.55 2c4j h ASP 98 N 0.15 0.80 -0.05 1.04 3.32 -0.83 -0.06 116.42 120.80 2c4j h ASP 98 Ca 0.09 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 56.70 2c4j h ASP 98 Cb 0.07 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2c4j h ASP 98 CO -0.10 1.09 -0.04 0.40 -1.72 0.00 0.00 179.24 178.86 2c4j h ILE 99 N 0.53 0.88 -0.55 0.35 2.04 -0.95 -2.80 117.51 117.01 2c4j h ILE 99 Ca 0.06 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 2c4j h ILE 99 Cb 0.84 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2c4j h ILE 99 CO 0.07 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 178.08 2c4j h LEU 100 N -0.05 1.01 -0.42 1.44 3.38 -0.92 0.15 115.31 119.90 2c4j h LEU 100 Ca 0.03 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.75 2c4j h LEU 100 Cb 0.10 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2c4j h LEU 100 CO -0.08 1.10 0.12 -0.08 0.09 0.00 0.00 178.44 179.60 2c4j h GLU 101 N 0.91 0.27 -0.03 1.13 4.81 -0.95 0.21 114.58 120.92 2c4j h GLU 101 Ca 0.15 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.12 2c4j h GLU 101 Cb 0.63 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.96 2c4j h GLU 101 CO 0.04 0.18 -0.95 -0.91 -0.73 0.00 0.00 179.01 176.64 2c4j h ASN 102 N 0.28 0.76 -0.27 1.04 2.35 -1.29 -2.47 115.58 115.98 2c4j h ASN 102 Ca 0.20 -0.59 -0.03 0.00 -0.55 0.00 0.00 56.30 55.33 2c4j h ASN 102 Cb 0.21 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2c4j h ASN 102 CO -0.22 1.38 0.06 -0.61 -1.65 0.00 0.00 177.43 176.39 2c4j h GLN 103 N 0.35 0.44 -0.71 0.81 5.75 -0.43 -1.52 115.11 119.81 2c4j h GLN 103 Ca -0.10 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.27 2c4j h GLN 103 Cb 1.59 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 30.05 2c4j h GLN 103 CO 0.18 0.54 0.33 0.74 -2.65 0.00 0.00 178.83 177.97 2c4j h PHE 104 N 0.27 1.00 -0.75 3.99 0.04 -0.67 -1.08 116.94 119.75 2c4j h PHE 104 Ca 0.08 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.82 2c4j h PHE 104 Cb 0.30 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 2c4j h PHE 104 CO 0.02 0.73 0.49 1.98 -0.60 0.00 0.00 178.31 180.93 2c4j h MET 105 N 1.00 0.99 -0.43 1.51 4.05 -1.21 0.10 114.93 120.94 2c4j h MET 105 Ca 0.24 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.61 2c4j h MET 105 Cb 0.11 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 2c4j h MET 105 CO -0.03 0.65 0.28 -0.44 0.23 0.00 0.00 176.91 177.60 2c4j h ASP 106 N 1.01 0.47 -0.50 1.39 3.32 -0.61 -0.57 116.42 120.93 2c4j h ASP 106 Ca 0.27 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2c4j h ASP 106 Cb -0.11 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2c4j h ASP 106 CO -0.06 0.34 0.33 0.28 -1.72 0.00 0.00 179.24 178.41 2c4j h SER 107 N 0.56 0.58 -0.40 6.45 0.02 -0.91 -1.02 113.55 118.83 2c4j h SER 107 Ca 0.16 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2c4j h SER 107 Cb -0.04 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 2c4j h SER 107 CO -0.05 0.43 0.16 -0.09 -1.14 0.00 0.00 176.83 176.14 2c4j h ARG 108 N 0.68 0.32 -0.17 3.45 2.43 -0.49 -2.28 114.38 118.32 2c4j h ARG 108 Ca 0.18 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2c4j h ARG 108 Cb -0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2c4j h ARG 108 CO -0.04 0.21 -0.27 0.52 -1.51 0.00 0.00 179.97 178.88 2c4j h MET 109 N 0.33 0.31 -0.53 0.20 2.86 -0.76 -1.52 114.93 115.83 2c4j h MET 109 Ca 0.18 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2c4j h MET 109 Cb 0.14 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2c4j h MET 109 CO -0.16 0.56 0.26 1.96 1.06 0.00 0.00 176.91 180.59 2c4j h GLN 110 N 0.28 0.75 -0.29 1.72 4.20 -0.64 0.10 115.11 121.24 2c4j h GLN 110 Ca 0.04 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 2c4j h GLN 110 Cb 0.63 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2c4j h GLN 110 CO 0.05 0.62 -0.32 1.25 -0.67 0.00 0.00 178.83 179.76 2c4j h LEU 111 N 0.70 0.78 -0.62 1.46 5.85 -1.17 -2.59 115.31 119.72 2c4j h LEU 111 Ca 0.18 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 2c4j h LEU 111 Cb 0.11 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2c4j h LEU 111 CO -0.02 1.10 0.22 0.00 -0.34 0.00 0.00 178.44 179.40 2c4j h ALA 112 N 0.70 0.81 -0.45 1.25 0.00 -1.15 -0.92 119.26 119.51 2c4j h ALA 112 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2c4j h ALA 112 Cb 0.89 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2c4j h ALA 112 CO 0.08 0.45 0.25 -0.22 0.00 0.00 0.00 179.25 179.81 2c4j h LYS 113 N 0.88 0.49 -0.01 0.00 3.64 -0.76 -0.89 116.57 119.92 2c4j h LYS 113 Ca 0.20 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2c4j h LYS 113 Cb 0.25 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2c4j h LYS 113 CO -0.01 0.32 -0.02 1.25 -2.27 0.00 0.00 179.45 178.72 2c4j h LEU 114 N 0.50 -0.07 -0.82 5.20 5.85 -1.19 -2.59 115.31 122.19 2c4j h LEU 114 Ca 0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2c4j h LEU 114 Cb 0.04 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2c4j h LEU 114 CO -0.10 -0.03 0.00 0.00 -0.34 0.00 0.00 178.44 177.97 2c4j n TYR 116 N -3.04 0.00 -2.59 0.00 4.01 -0.38 0.03 117.16 115.18 2c4j n TYR 116 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 2c4j n TYR 116 Cb 0.39 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 2c4j n TYR 116 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2c4j s ASP 117 N -2.89 7.19 0.54 7.72 -1.08 -0.86 -4.73 116.67 122.56 2c4j s ASP 117 Ca 0.13 1.69 0.28 0.00 -0.52 0.00 0.00 52.55 54.13 2c4j s ASP 117 Cb 0.17 -2.56 1.44 0.00 -1.46 0.00 0.00 42.92 40.51 2c4j s ASP 117 CO 0.71 -0.46 1.96 -0.65 0.52 0.00 0.00 175.17 177.25 2c4j h PRO 118 N 7.14 0.00 -0.91 4.34 0.11 -1.91 -0.38 132.00 140.38 2c4j h PRO 118 Ca -0.35 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 2c4j h PRO 118 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2c4j h PRO 118 CO 0.84 0.00 0.10 -3.47 -0.21 0.00 0.00 178.00 175.27 2c4j n ASP 119 N -4.27 2.98 -0.34 -2.05 2.03 -1.26 -4.63 116.55 109.01 2c4j n ASP 119 Ca 0.12 -2.45 0.03 0.00 0.52 0.00 0.00 54.79 53.01 2c4j n ASP 119 Cb 0.71 -0.59 0.10 0.00 -0.72 0.00 0.00 41.12 40.62 2c4j n ASP 119 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2c4j h PHE 120 N 1.00 -0.64 -0.72 -0.67 3.57 -1.28 -1.80 116.94 116.39 2c4j h PHE 120 Ca 0.10 0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2c4j h PHE 120 Cb 1.33 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 40.46 2c4j h PHE 120 CO 0.48 -0.40 0.41 0.93 -2.23 0.00 0.00 178.31 177.50 2c4j h GLU 121 N -0.01 1.00 0.00 1.11 4.39 -1.87 0.13 114.58 119.34 2c4j h GLU 121 Ca 0.42 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.92 2c4j h GLU 121 Cb 0.66 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2c4j h GLU 121 CO -0.96 0.73 -0.41 0.87 -1.16 0.00 0.00 179.01 178.09 2c4j h LYS 122 N 0.99 0.00 0.00 2.33 1.57 -1.73 -3.24 116.57 116.48 2c4j h LYS 122 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2c4j h LYS 122 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2c4j h LYS 122 CO -0.04 0.41 -1.05 1.28 -0.57 0.00 0.00 179.45 179.47 2c4j n LEU 123 N -3.38 0.76 -0.10 2.94 4.77 -0.82 -4.43 117.00 116.73 2c4j n LEU 123 Ca 0.01 0.27 -0.07 0.00 -0.03 0.00 0.00 56.01 56.19 2c4j n LEU 123 Cb 0.59 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 2c4j n LEU 123 CO 0.38 -0.15 0.97 0.50 -1.33 0.00 0.00 177.39 177.76 2c4j h LYS 124 N 0.00 0.35 -0.97 3.23 3.64 -1.01 -2.76 116.57 119.04 2c4j h LYS 124 Ca 0.00 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.50 2c4j h LYS 124 Cb 0.96 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.62 2c4j h LYS 124 CO 0.00 0.23 0.61 -1.35 -2.27 0.00 0.00 179.45 176.67 2c4j h PRO 125 N 0.36 0.81 -0.26 1.90 0.11 -1.78 -0.41 132.00 132.74 2c4j h PRO 125 Ca 0.15 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 2c4j h PRO 125 Cb 0.06 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 2c4j h PRO 125 CO -0.10 0.54 0.14 0.93 -0.21 0.00 0.00 178.00 179.30 2c4j h GLU 126 N 0.84 0.36 -0.23 1.05 5.08 -1.77 0.67 114.58 120.58 2c4j h GLU 126 Ca 0.50 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2c4j h GLU 126 Cb 0.66 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2c4j h GLU 126 CO -0.26 0.31 0.12 -0.92 -1.00 0.00 0.00 179.01 177.26 2c4j h TYR 127 N 0.31 0.31 -0.20 4.33 5.03 -1.31 -2.33 116.97 123.11 2c4j h TYR 127 Ca 0.09 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.34 2c4j h TYR 127 Cb 0.06 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.22 2c4j h TYR 127 CO -0.04 0.28 -0.13 -0.07 -1.32 0.00 0.00 178.16 176.89 2c4j h LEU 128 N 0.26 0.31 -0.86 2.82 3.38 -0.88 -1.15 115.31 119.18 2c4j h LEU 128 Ca 0.08 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2c4j h LEU 128 Cb 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2c4j h LEU 128 CO -0.01 0.47 -0.45 -0.61 0.09 0.00 0.00 178.44 177.93 2c4j h GLN 129 N 0.30 0.27 0.00 1.13 4.15 -0.68 -3.00 115.11 117.28 2c4j h GLN 129 Ca 0.06 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.34 2c4j h GLN 129 Cb 0.42 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2c4j h GLN 129 CO 0.02 0.67 -0.20 0.00 -1.93 0.00 0.00 178.83 177.39 2c4j h ALA 130 N 1.32 0.89 -0.17 3.38 0.00 -0.84 -3.39 119.26 120.45 2c4j h ALA 130 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2c4j h ALA 130 Cb 0.88 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2c4j h ALA 130 CO 0.07 0.00 0.10 1.25 0.00 0.00 0.00 179.25 180.67 2c4j h LEU 131 N 0.00 0.21 -0.90 0.00 5.85 -1.08 -2.54 115.31 116.85 2c4j h LEU 131 Ca 0.00 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.75 2c4j h LEU 131 Cb 0.89 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.79 2c4j h LEU 131 CO 0.00 0.22 0.54 -0.65 -0.34 0.00 0.00 178.44 178.21 2c4j h PRO 132 N 0.18 0.85 -0.35 5.25 0.11 -1.75 -0.60 132.00 135.69 2c4j h PRO 132 Ca 0.06 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.14 2c4j h PRO 132 Cb 0.06 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 2c4j h PRO 132 CO -0.01 0.56 0.20 0.93 -0.21 0.00 0.00 178.00 179.47 2c4j h GLU 133 N 0.87 0.39 -0.24 1.05 5.08 -1.77 0.11 114.58 120.08 2c4j h GLU 133 Ca 0.44 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.81 2c4j h GLU 133 Cb 0.41 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2c4j h GLU 133 CO -0.26 0.26 0.01 1.98 -1.00 0.00 0.00 179.01 180.01 2c4j h MET 134 N 0.40 0.09 -0.21 2.33 4.05 -0.97 -2.10 114.93 118.53 2c4j h MET 134 Ca 0.14 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.42 2c4j h MET 134 Cb 0.02 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2c4j h MET 134 CO -0.08 0.06 -0.45 -0.07 0.23 0.00 0.00 176.91 176.60 2c4j h LEU 135 N 0.09 0.56 -0.81 3.39 3.38 -0.94 -2.66 115.31 118.32 2c4j h LEU 135 Ca 0.11 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.88 2c4j h LEU 135 Cb 0.13 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 2c4j h LEU 135 CO -0.18 0.93 0.50 0.50 0.09 0.00 0.00 178.44 180.28 2c4j h LYS 136 N 0.42 0.89 -0.64 1.13 3.64 -0.49 0.94 116.57 122.46 2c4j h LYS 136 Ca 0.03 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2c4j h LYS 136 Cb 0.96 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 2c4j h LYS 136 CO 0.08 0.59 0.29 -0.07 -2.27 0.00 0.00 179.45 178.07 2c4j h LEU 137 N 0.91 0.85 -0.62 5.20 3.38 -1.05 0.10 115.31 124.09 2c4j h LEU 137 Ca 0.35 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2c4j h LEU 137 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2c4j h LEU 137 CO -0.17 0.76 0.15 1.88 0.09 0.00 0.00 178.44 181.15 2c4j h TYR 138 N 0.89 1.04 -0.38 1.13 0.05 -1.18 -1.80 116.97 116.72 2c4j h TYR 138 Ca 0.22 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2c4j h TYR 138 Cb 0.14 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 2c4j h TYR 138 CO 0.01 0.87 0.20 1.03 -1.05 0.00 0.00 178.16 179.22 2c4j h SER 139 N 0.91 0.48 -0.87 3.88 0.87 -0.46 -0.85 113.55 117.51 2c4j h SER 139 Ca 0.20 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2c4j h SER 139 Cb 0.35 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 2c4j h SER 139 CO 0.00 0.44 0.57 1.56 -0.53 0.00 0.00 176.83 178.87 2c4j h GLN 140 N 0.48 1.15 -0.57 2.24 4.20 -0.70 -1.91 115.11 120.00 2c4j h GLN 140 Ca 0.13 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 2c4j h GLN 140 Cb 0.07 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 2c4j h GLN 140 CO -0.02 0.76 -0.07 0.35 -0.67 0.00 0.00 178.83 179.19 2c4j h PHE 141 N 1.18 1.15 -0.53 2.96 3.57 -1.01 -3.09 116.94 121.17 2c4j h PHE 141 Ca 0.32 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 2c4j h PHE 141 Cb -0.13 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.30 2c4j h PHE 141 CO -0.01 1.04 0.06 1.25 -2.23 0.00 0.00 178.31 178.43 2c4j h LEU 142 N 0.94 0.86 0.00 0.59 5.85 -0.96 -3.48 115.31 119.11 2c4j h LEU 142 Ca 0.15 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2c4j h LEU 142 Cb 0.63 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2c4j h LEU 142 CO 0.04 0.91 0.00 0.61 -0.34 0.00 0.00 178.44 179.67 2c4j n GLY 143 N -0.50 3.08 0.70 3.75 0.00 -0.74 -2.53 105.19 108.96 2c4j n GLY 143 Ca 0.02 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 1.95 -2.36 1.61 4.76 -1.26 -4.90 118.16 131.96 2c4j n LYS 144 Ca 0.00 -1.40 -0.36 0.00 -2.87 0.00 0.00 58.31 53.68 2c4j n LYS 144 Cb 0.00 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 31.71 2c4j n LYS 144 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2c4j s GLN 145 N -1.90 3.84 0.35 1.97 -0.21 -1.05 -4.96 119.66 117.70 2c4j s GLN 145 Ca 0.34 1.66 0.12 0.00 0.02 0.00 0.00 55.36 57.50 2c4j s GLN 145 Cb 0.20 -2.38 0.62 0.00 1.00 0.00 0.00 33.01 32.45 2c4j s GLN 145 CO 0.31 -0.46 1.77 -1.00 -2.12 0.00 0.00 175.29 173.79 2c4j h PRO 146 N 2.06 0.00 -4.83 2.91 0.13 -1.89 -3.46 132.00 126.92 2c4j h PRO 146 Ca -0.49 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.35 2c4j h PRO 146 Cb 1.24 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 2c4j h PRO 146 CO 0.60 0.44 -0.67 -1.58 -0.23 0.00 0.00 178.00 176.56 2c4j s TRP 147 N -4.01 1.21 0.32 1.56 0.52 -0.83 -4.89 118.94 112.82 2c4j s TRP 147 Ca -0.02 -0.98 0.25 0.00 0.02 0.00 0.00 56.10 55.37 2c4j s TRP 147 Cb 0.14 -0.68 1.23 0.00 -1.15 0.00 0.00 33.47 33.01 2c4j s TRP 147 CO 0.73 -0.17 1.98 0.74 0.02 0.00 0.00 176.95 180.25 2c4j h PHE 148 N 2.71 0.00 -0.36 -1.98 0.04 -1.89 -1.69 116.94 113.78 2c4j h PHE 148 Ca -0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.40 2c4j h PHE 148 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 2c4j h PHE 148 CO 0.55 0.17 0.00 1.28 -0.60 0.00 0.00 178.31 179.71 2c4j n LEU 149 N -3.58 3.45 0.00 1.54 4.77 -1.26 -4.92 117.00 117.00 2c4j n LEU 149 Ca -0.01 -1.46 0.00 0.00 -0.03 0.00 0.00 56.01 54.51 2c4j n LEU 149 Cb 0.31 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2c4j n LEU 149 CO 0.32 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 2c4j n GLY 150 N 1.50 0.24 0.04 -0.72 0.00 -0.64 -4.77 105.19 100.85 2c4j n GLY 150 Ca 0.19 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 45.04 2c4j n GLY 150 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c4j n ASP 151 N 0.00 0.49 -4.45 1.61 8.00 -1.26 -1.95 116.55 118.98 2c4j n ASP 151 Ca 0.00 -0.24 -0.34 0.00 0.71 0.00 0.00 54.79 54.92 2c4j n ASP 151 Cb 0.00 0.08 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 2c4j n ASP 151 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2c4j s LYS 152 N -2.88 3.58 0.32 -1.24 2.20 -1.26 -4.92 119.74 115.54 2c4j s LYS 152 Ca 0.15 -0.56 -0.28 0.00 -0.36 0.00 0.00 55.97 54.92 2c4j s LYS 152 Cb 0.18 -2.91 -0.10 0.00 -1.51 0.00 0.00 37.83 33.50 2c4j s LYS 152 CO 0.63 0.14 1.17 -1.50 -0.36 0.00 0.00 175.35 175.43 2c4j s ILE 153 N 0.61 3.21 0.30 5.43 2.07 -1.26 -4.56 121.20 126.99 2c4j s ILE 153 Ca -0.03 1.18 0.02 0.00 -1.41 0.00 0.00 60.65 60.41 2c4j s ILE 153 Cb -0.15 -3.73 -0.02 0.00 0.13 0.00 0.00 42.46 38.69 2c4j s ILE 153 CO 0.03 0.25 0.30 0.42 -1.91 0.00 0.00 174.94 174.03 2c4j s THR 154 N -1.21 0.00 0.46 4.00 -4.23 -1.26 -4.78 115.64 108.61 2c4j s THR 154 Ca 0.48 -1.88 0.15 0.00 -1.18 0.00 0.00 61.69 59.27 2c4j s THR 154 Cb -0.34 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.18 2c4j s THR 154 CO 0.44 0.00 2.02 2.19 -0.54 0.00 0.00 174.62 178.72 2c4j h PHE 155 N 2.23 0.00 0.00 3.99 -5.15 -1.46 -1.74 116.94 114.81 2c4j h PHE 155 Ca -0.28 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.47 2c4j h PHE 155 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.40 2c4j h PHE 155 CO 1.32 0.16 -0.10 -0.24 -2.00 0.00 0.00 178.31 177.45 2c4j h VAL 156 N 0.00 0.42 0.00 0.88 3.04 -1.95 -0.63 116.25 118.02 2c4j h VAL 156 Ca -0.00 -0.55 -0.04 0.00 -1.01 0.00 0.00 66.70 65.10 2c4j h VAL 156 Cb 0.28 1.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 2c4j h VAL 156 CO 0.02 0.10 -0.19 0.44 -1.01 0.00 0.00 177.57 176.93 2c4j h ASP 157 N 0.00 0.00 -0.13 3.17 3.32 -1.73 0.88 116.42 121.93 2c4j h ASP 157 Ca -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 2c4j h ASP 157 Cb 0.38 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.93 2c4j h ASP 157 CO 0.01 0.19 -0.72 -0.26 -1.72 0.00 0.00 179.24 176.75 2c4j h PHE 158 N 0.00 1.02 -0.10 4.55 -1.00 -1.23 -0.21 116.94 119.97 2c4j h PHE 158 Ca -0.00 -0.43 -0.01 0.00 2.81 0.00 0.00 57.97 60.34 2c4j h PHE 158 Cb 0.36 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.75 2c4j h PHE 158 CO 0.00 1.25 0.03 0.82 -1.61 0.00 0.00 178.31 178.80 2c4j h ILE 159 N 0.54 1.17 -0.25 -0.55 2.04 -1.34 -2.72 117.51 116.40 2c4j h ILE 159 Ca -0.03 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.33 2c4j h ILE 159 Cb 1.34 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2c4j h ILE 159 CO 0.15 0.15 0.11 0.00 0.00 0.00 0.00 178.15 178.56 2c4j h ALA 160 N 0.85 0.30 -0.30 1.87 0.00 -0.75 -1.42 119.26 119.81 2c4j h ALA 160 Ca 0.03 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2c4j h ALA 160 Cb 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2c4j h ALA 160 CO -0.00 -0.30 -0.01 -0.92 0.00 0.00 0.00 179.25 178.02 2c4j h TYR 161 N 0.24 -0.03 0.14 0.00 3.20 -1.07 0.34 116.97 119.79 2c4j h TYR 161 Ca 0.11 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2c4j h TYR 161 Cb 0.05 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2c4j h TYR 161 CO -0.11 -0.06 -0.09 0.22 -1.64 0.00 0.00 178.16 176.48 2c4j h ASP 162 N 0.08 -0.22 -0.41 -2.11 3.58 -1.10 0.37 116.42 116.60 2c4j h ASP 162 Ca 0.14 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 2c4j h ASP 162 Cb 0.19 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2c4j h ASP 162 CO -0.25 -0.15 0.07 0.58 -2.88 0.00 0.00 179.24 176.62 2c4j h VAL 163 N -0.23 1.24 -0.22 2.25 2.07 -1.04 -0.62 116.25 119.71 2c4j h VAL 163 Ca -0.01 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 2c4j h VAL 163 Cb 0.19 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2c4j h VAL 163 CO 0.01 0.30 -0.02 -0.07 0.02 0.00 0.00 177.57 177.81 2c4j h LEU 164 N 0.54 0.39 -0.76 2.57 3.38 -0.86 -2.44 115.31 118.13 2c4j h LEU 164 Ca 0.13 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 2c4j h LEU 164 Cb 0.37 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2c4j h LEU 164 CO 0.01 0.62 -0.21 -0.08 0.09 0.00 0.00 178.44 178.88 2c4j h GLU 165 N 0.14 0.73 -0.65 1.13 4.22 -0.89 -2.02 114.58 117.24 2c4j h GLU 165 Ca 0.06 -0.28 -0.05 0.00 0.08 0.00 0.00 59.36 59.17 2c4j h GLU 165 Cb 0.44 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2c4j h GLU 165 CO 0.01 0.87 0.19 -0.09 -2.18 0.00 0.00 179.01 177.82 2c4j h ARG 166 N 0.64 1.00 -0.46 1.92 2.43 -1.08 -0.45 114.38 118.38 2c4j h ARG 166 Ca 0.09 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 2c4j h ARG 166 Cb 0.69 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2c4j h ARG 166 CO 0.05 0.86 0.16 -0.91 -1.51 0.00 0.00 179.97 178.63 2c4j h ASN 167 N 0.96 0.60 0.13 -3.80 2.35 -1.08 -1.47 115.58 113.27 2c4j h ASN 167 Ca 0.21 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 2c4j h ASN 167 Cb 0.29 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2c4j h ASN 167 CO -0.01 0.56 -0.29 -0.61 -1.65 0.00 0.00 177.43 175.44 2c4j h GLN 168 N 0.65 0.25 -0.35 0.81 4.15 -0.51 0.19 115.11 120.30 2c4j h GLN 168 Ca 0.16 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 2c4j h GLN 168 Cb 0.16 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2c4j h GLN 168 CO -0.01 0.52 0.10 0.28 -1.93 0.00 0.00 178.83 177.79 2c4j h VAL 169 N 0.22 1.21 -0.45 2.39 2.07 -0.47 -2.45 116.25 118.77 2c4j h VAL 169 Ca 0.03 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 2c4j h VAL 169 Cb 0.62 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2c4j h VAL 169 CO 0.05 0.24 0.03 0.15 0.02 0.00 0.00 177.57 178.05 2c4j h PHE 170 N 0.41 0.84 -2.70 1.57 3.57 -0.85 -3.38 116.94 116.39 2c4j h PHE 170 Ca 0.11 -0.14 -0.59 0.00 3.53 0.00 0.00 57.97 60.88 2c4j h PHE 170 Cb 0.26 -0.22 -0.39 0.00 2.79 0.00 0.00 35.95 38.38 2c4j h PHE 170 CO 0.01 0.81 -0.82 -2.00 -2.23 0.00 0.00 178.31 174.08 2c4j s GLU 171 N -5.07 0.85 0.51 1.11 2.56 0.64 -5.04 118.70 114.26 2c4j s GLU 171 Ca -0.13 -1.65 0.33 0.00 0.00 0.00 0.00 54.97 53.52 2c4j s GLU 171 Cb 0.11 -1.68 1.46 0.00 2.00 0.00 0.00 34.13 36.02 2c4j s GLU 171 CO 0.80 -1.21 1.80 -1.35 -0.56 0.00 0.00 175.26 174.74 2c4j h PRO 172 N 6.77 0.07 -0.15 4.30 0.11 -1.64 -1.39 132.00 140.08 2c4j h PRO 172 Ca 0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2c4j h PRO 172 Cb 0.95 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2c4j h PRO 172 CO 0.35 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.06 2c4j n SER 173 N -4.28 2.25 0.26 -2.05 3.41 -1.26 -4.59 113.62 107.36 2c4j n SER 173 Ca 0.26 -1.77 0.13 0.00 -0.26 0.00 0.00 58.87 57.23 2c4j n SER 173 Cb 1.17 -0.09 0.69 0.00 -0.26 0.00 0.00 64.21 65.72 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 -3.46 0.68 -0.01 0.00 4.77 -1.26 -4.44 117.00 113.27 2c4j n LEU 175 Ca -0.01 -0.15 0.03 0.00 -0.03 0.00 0.00 56.01 55.85 2c4j n LEU 175 Cb 0.29 -0.18 0.39 0.00 -2.33 0.00 0.00 43.42 41.58 2c4j n LEU 175 CO 0.30 0.16 1.11 0.44 -1.33 0.00 0.00 177.39 178.07 2c4j h ASP 176 N 0.12 0.49 0.59 -1.43 3.32 -1.66 -0.52 116.42 117.32 2c4j h ASP 176 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2c4j h ASP 176 Cb 0.51 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2c4j h ASP 176 CO 0.00 0.41 0.00 0.00 -1.72 0.00 0.00 179.24 177.93 2c4j n ALA 177 N -2.47 1.84 -3.78 3.45 0.00 -1.26 -4.32 120.51 113.97 2c4j n ALA 177 Ca 0.03 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 2c4j n ALA 177 Cb 0.10 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.95 2.82 0.31 0.00 0.08 -0.20 -4.98 117.98 113.06 2c4j s PHE 178 Ca 0.10 -3.00 0.05 0.00 0.12 0.00 0.00 56.93 54.20 2c4j s PHE 178 Cb 0.12 -2.26 0.70 0.00 -0.57 0.00 0.00 43.02 41.01 2c4j s PHE 178 CO 0.32 -0.66 1.83 -1.35 -0.10 0.00 0.00 175.22 175.26 2c4j h PRO 179 N 5.76 0.80 -0.32 0.24 0.11 -1.75 -0.70 132.00 136.14 2c4j h PRO 179 Ca 0.12 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 2c4j h PRO 179 Cb 0.82 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 2c4j h PRO 179 CO 0.61 0.53 0.04 -2.95 -0.21 0.00 0.00 178.00 176.03 2c4j h ASN 180 N 0.83 0.45 -0.26 -2.05 -1.07 -1.91 0.82 115.58 112.38 2c4j h ASN 180 Ca 0.51 -0.07 -0.15 0.00 0.07 0.00 0.00 56.30 56.66 2c4j h ASN 180 Cb 0.70 -0.12 -0.00 0.00 -2.07 0.00 0.00 38.32 36.83 2c4j h ASN 180 CO -0.28 0.48 -0.42 -0.07 0.07 0.00 0.00 177.43 177.22 2c4j h LEU 181 N 0.47 0.81 -0.39 6.14 3.38 -1.48 0.27 115.31 124.52 2c4j h LEU 181 Ca 0.11 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.60 2c4j h LEU 181 Cb 0.25 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2c4j h LEU 181 CO 0.00 1.18 0.13 0.11 0.09 0.00 0.00 178.44 179.95 2c4j h LYS 182 N 0.47 0.28 -0.25 1.13 1.79 -0.96 -1.36 116.57 117.67 2c4j h LYS 182 Ca 0.02 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 2c4j h LYS 182 Cb 1.01 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 2c4j h LYS 182 CO 0.10 0.19 -0.26 -0.44 -1.08 0.00 0.00 179.45 177.95 2c4j h ASP 183 N 0.29 0.47 -0.28 0.86 3.32 -0.77 -2.30 116.42 118.01 2c4j h ASP 183 Ca 0.18 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2c4j h ASP 183 Cb 0.16 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2c4j h ASP 183 CO -0.18 0.73 0.14 0.15 -1.72 0.00 0.00 179.24 178.36 2c4j h PHE 184 N 0.42 0.39 -0.44 4.55 3.57 -0.50 0.46 116.94 125.38 2c4j h PHE 184 Ca 0.06 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.61 2c4j h PHE 184 Cb 0.67 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 2c4j h PHE 184 CO 0.02 0.35 0.13 0.82 -2.23 0.00 0.00 178.31 177.40 2c4j h ILE 185 N 0.32 0.82 -0.62 1.41 1.08 -1.03 -0.17 117.51 119.32 2c4j h ILE 185 Ca 0.10 -0.10 -0.08 0.00 -0.39 0.00 0.00 64.86 64.39 2c4j h ILE 185 Cb 0.10 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 2c4j h ILE 185 CO -0.01 0.05 0.08 -1.28 -0.69 0.00 0.00 178.15 176.30 2c4j h SER 186 N 0.28 1.00 -0.43 1.72 0.87 -1.24 -1.19 113.55 114.56 2c4j h SER 186 Ca 0.21 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 2c4j h SER 186 Cb 0.24 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 2c4j h SER 186 CO -0.24 1.02 0.07 -0.09 -0.53 0.00 0.00 176.83 177.06 2c4j h ARG 187 N 0.95 0.70 -0.05 2.24 2.43 -0.51 -0.18 114.38 119.96 2c4j h ARG 187 Ca 0.19 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2c4j h ARG 187 Cb 0.45 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2c4j h ARG 187 CO 0.02 0.74 0.02 0.35 -1.51 0.00 0.00 179.97 179.58 2c4j h PHE 188 N 0.56 0.08 0.00 2.20 3.04 -0.89 -2.83 116.94 119.10 2c4j h PHE 188 Ca 0.13 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 2c4j h PHE 188 Cb 0.37 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.85 2c4j h PHE 188 CO 0.03 0.20 -0.11 0.93 -2.02 0.00 0.00 178.31 177.33 2c4j h GLU 189 N -0.06 0.00 0.00 1.11 5.08 -1.10 -2.74 114.58 116.87 2c4j h GLU 189 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2c4j h GLU 189 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2c4j h GLU 189 CO -0.00 0.11 -0.20 0.41 -1.00 0.00 0.00 179.01 178.32 2c4j n GLY 190 N -0.89 -1.47 3.72 -3.84 0.00 -0.09 -3.17 105.19 99.44 2c4j n GLY 190 Ca -0.02 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.73 3.89 -0.18 0.99 4.77 -1.03 -4.76 117.00 118.94 2c4j n LEU 191 Ca 0.06 1.16 -0.06 0.00 -0.03 0.00 0.00 56.01 57.13 2c4j n LEU 191 Cb 0.37 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 39.92 2c4j n LEU 191 CO 0.31 -0.14 0.62 -0.33 -1.33 0.00 0.00 177.39 176.52 2c4j h GLU 192 N 4.17 -0.19 -0.12 3.23 5.08 -1.91 0.19 114.58 125.03 2c4j h GLU 192 Ca -0.47 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 57.79 2c4j h GLU 192 Cb 1.25 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2c4j h GLU 192 CO 0.75 -0.13 -0.44 0.87 -1.00 0.00 0.00 179.01 179.06 2c4j h LYS 193 N -0.20 0.29 -0.08 2.33 1.57 -1.93 -1.09 116.57 117.46 2c4j h LYS 193 Ca 0.21 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2c4j h LYS 193 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2c4j h LYS 193 CO -0.65 0.67 -0.11 0.82 -0.57 0.00 0.00 179.45 179.62 2c4j h ILE 194 N 0.24 1.39 -0.30 1.86 1.08 -1.67 -2.53 117.51 117.57 2c4j h ILE 194 Ca 0.02 -1.33 0.04 0.00 -0.39 0.00 0.00 64.86 63.19 2c4j h ILE 194 Cb 0.87 2.10 -0.04 0.00 -3.07 0.00 0.00 36.82 36.68 2c4j h ILE 194 CO 0.07 0.37 0.08 -1.28 -0.69 0.00 0.00 178.15 176.71 2c4j h SER 195 N -0.25 0.07 -0.82 1.72 0.87 -0.49 1.00 113.55 115.64 2c4j h SER 195 Ca 0.01 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2c4j h SER 195 Cb 0.65 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 2c4j h SER 195 CO 0.02 0.07 0.53 0.00 -0.53 0.00 0.00 176.83 176.92 2c4j h ALA 196 N 1.20 1.08 -0.14 6.23 0.00 -1.26 -0.76 119.26 125.62 2c4j h ALA 196 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2c4j h ALA 196 Cb 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2c4j h ALA 196 CO -0.16 0.36 -0.00 -0.92 0.00 0.00 0.00 179.25 178.53 2c4j h TYR 197 N 1.03 0.26 -0.20 0.00 3.20 -0.99 -2.67 116.97 117.61 2c4j h TYR 197 Ca 0.33 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 2c4j h TYR 197 Cb 0.00 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 2c4j h TYR 197 CO -0.03 0.48 -0.14 0.52 -1.64 0.00 0.00 178.16 177.35 2c4j h MET 198 N -0.03 0.32 0.00 1.82 2.86 -0.49 -1.43 114.93 117.99 2c4j h MET 198 Ca 0.04 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2c4j h MET 198 Cb 0.38 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2c4j h MET 198 CO 0.01 0.47 0.00 1.63 1.06 0.00 0.00 176.91 180.08 2c4j n LYS 199 N -4.23 0.05 -2.53 1.72 5.02 -0.32 -4.78 118.16 113.09 2c4j n LYS 199 Ca -0.00 0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.08 2c4j n LYS 199 Cb 0.30 -1.56 0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2c4j n LYS 199 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2c4j s SER 200 N -3.30 5.60 0.29 4.39 1.04 -0.54 -4.99 113.70 116.20 2c4j s SER 200 Ca 0.13 0.57 0.25 0.00 0.48 0.00 0.00 55.95 57.38 2c4j s SER 200 Cb 0.18 -1.60 1.03 0.00 0.10 0.00 0.00 66.02 65.72 2c4j s SER 200 CO 0.54 -1.01 1.74 0.77 0.98 0.00 0.00 173.24 176.27 2c4j h SER 201 N -0.05 0.00 1.64 7.02 4.64 -1.89 -3.05 113.55 121.85 2c4j h SER 201 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2c4j h SER 201 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2c4j h SER 201 CO 0.59 0.00 0.00 -0.09 -0.87 0.00 0.00 176.83 176.46 2c4j h ARG 202 N 0.00 0.00 -6.64 4.77 2.43 -1.94 -3.45 114.38 109.55 2c4j h ARG 202 Ca 0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 2c4j h ARG 202 Cb 0.38 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 29.97 2c4j h ARG 202 CO 0.00 0.00 0.74 0.12 -1.51 0.00 0.00 179.97 179.32 2c4j s PHE 203 N -3.29 3.16 -0.64 2.20 5.36 -1.16 -4.98 117.98 118.63 2c4j s PHE 203 Ca 0.06 0.98 0.05 0.00 -0.96 0.00 0.00 56.93 57.06 2c4j s PHE 203 Cb 0.07 -3.74 0.17 0.00 -0.34 0.00 0.00 43.02 39.19 2c4j s PHE 203 CO 0.62 -2.50 0.46 -0.11 -1.46 0.00 0.00 175.22 172.23 2c4j n LEU 204 N 3.22 2.19 0.17 6.12 7.94 -1.26 -4.92 117.00 130.45 2c4j n LEU 204 Ca 0.09 -5.01 0.12 0.00 -1.11 0.00 0.00 56.01 50.10 2c4j n LEU 204 Cb 0.41 -0.44 0.27 0.00 0.53 0.00 0.00 43.42 44.18 2c4j n LEU 204 CO 0.59 1.78 0.83 1.55 -1.11 0.00 0.00 177.39 181.03 2c4j h PRO 205 N 5.43 0.00 -3.94 1.96 0.13 -1.97 -3.38 132.00 130.23 2c4j h PRO 205 Ca 0.18 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.14 2c4j h PRO 205 Cb 0.79 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.71 2c4j h PRO 205 CO 0.64 0.00 -0.68 1.03 -0.23 0.00 0.00 178.00 178.76 2c4j s ARG 206 N -3.17 0.34 0.55 0.86 0.52 -1.26 -4.27 118.95 112.52 2c4j s ARG 206 Ca 0.08 -0.60 -0.19 0.00 -0.52 0.00 0.00 55.73 54.50 2c4j s ARG 206 Cb 0.08 0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.62 2c4j s ARG 206 CO 0.64 -0.06 1.15 -1.25 0.02 0.00 0.00 175.30 175.81 2c4j s PRO 207 N -1.52 3.27 0.07 3.54 0.04 -1.25 -4.68 135.00 134.46 2c4j s PRO 207 Ca -0.15 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 2c4j s PRO 207 Cb -0.09 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 2c4j s PRO 207 CO -0.01 -0.93 1.44 0.28 0.04 0.00 0.00 177.00 177.82 2c4j h VAL 208 N 1.14 1.29 -0.41 -0.36 2.07 -1.66 0.00 116.25 118.33 2c4j h VAL 208 Ca -0.50 -1.08 -0.68 0.00 0.82 0.00 0.00 66.70 65.26 2c4j h VAL 208 Cb 1.27 1.58 -0.13 0.00 -1.52 0.00 0.00 31.29 32.49 2c4j h VAL 208 CO 0.57 0.33 -0.51 -0.36 0.02 0.00 0.00 177.57 177.61 2c4j s PHE 209 N -4.69 1.81 1.03 1.57 0.08 0.06 -1.19 117.98 116.65 2c4j s PHE 209 Ca -0.14 -1.00 -0.17 0.00 0.12 0.00 0.00 56.93 55.73 2c4j s PHE 209 Cb 0.06 -1.57 0.24 0.00 -0.57 0.00 0.00 43.02 41.18 2c4j s PHE 209 CO 0.75 0.18 1.33 -1.54 -0.10 0.00 0.00 175.22 175.83 2c4j s SER 210 N -3.87 2.53 0.59 1.36 1.04 -1.26 -4.45 113.70 109.64 2c4j s SER 210 Ca 0.04 0.19 0.36 0.00 0.48 0.00 0.00 55.95 57.03 2c4j s SER 210 Cb 0.01 -0.16 1.84 0.00 0.10 0.00 0.00 66.02 67.81 2c4j s SER 210 CO 0.03 -3.09 2.18 0.11 0.98 0.00 0.00 173.24 173.45 2c4j h LYS 211 N -1.89 0.00 0.00 4.02 1.57 -1.91 -2.34 116.57 116.02 2c4j h LYS 211 Ca -0.44 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2c4j h LYS 211 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 2c4j h LYS 211 CO 0.31 0.04 -0.01 0.52 -0.57 0.00 0.00 179.45 179.74 2c4j h MET 212 N 0.00 0.00 -6.97 3.15 2.86 -1.92 -3.46 114.93 108.59 2c4j h MET 212 Ca -0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 2c4j h MET 212 Cb 0.22 0.00 0.06 0.00 0.06 0.00 0.00 31.60 31.93 2c4j h MET 212 CO 0.00 0.01 0.49 0.00 1.06 0.00 0.00 176.91 178.48 2c4j s ALA 213 N -3.59 3.07 0.10 6.32 0.00 -0.88 -4.87 121.76 121.92 2c4j s ALA 213 Ca 0.02 0.95 -0.04 0.00 0.00 0.00 0.00 51.96 52.89 2c4j s ALA 213 Cb 0.08 -3.38 -0.20 0.00 0.00 0.00 0.00 23.12 19.62 2c4j s ALA 213 CO 0.57 -0.58 1.21 0.28 0.00 0.00 0.00 175.76 177.24 2c4j h VAL 214 N 2.12 1.46 -4.30 0.00 2.07 -0.69 -3.40 116.25 113.51 2c4j h VAL 214 Ca -0.49 -2.82 -0.69 0.00 0.82 0.00 0.00 66.70 63.51 2c4j h VAL 214 Cb 1.24 2.74 -0.30 0.00 -1.52 0.00 0.00 31.29 33.45 2c4j h VAL 214 CO 0.61 0.83 -0.88 0.86 0.02 0.00 0.00 177.57 179.01 2c4j s TRP 215 N -2.89 2.41 0.00 1.57 -0.00 -1.18 -4.75 118.94 114.09 2c4j s TRP 215 Ca -0.05 -0.55 0.00 0.00 -0.00 0.00 0.00 56.10 55.50 2c4j s TRP 215 Cb 0.08 -1.56 0.00 0.00 -0.00 0.00 0.00 33.47 31.99 2c4j s TRP 215 CO 0.88 -0.11 0.00 0.41 -0.00 0.00 0.00 176.95 178.13 2c4j n GLY 216 N 2.67 0.53 0.02 5.86 0.00 -1.26 -4.74 105.19 108.27 2c4j n GLY 216 Ca -0.17 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.24 2c4j n GLY 216 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2c4j n ASN 217 N 1.35 0.25 0.00 1.61 0.23 -1.26 -0.76 115.26 116.68 2c4j n ASN 217 Ca 0.00 0.37 0.00 0.00 -0.53 0.00 0.00 54.58 54.42 2c4j n ASN 217 Cb 0.00 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.31 2c4j n ASN 217 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62