#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyl s ARG 6 N 0.00 4.06 0.49 0.54 0.52 -1.26 -5.06 118.95 118.24 2pyl s ARG 6 Ca 0.00 0.82 -0.19 0.00 -0.52 0.00 0.00 55.73 55.84 2pyl s ARG 6 Cb 0.00 -2.33 -0.08 0.00 0.52 0.00 0.00 34.95 33.06 2pyl s ARG 6 CO 0.00 0.06 1.02 0.15 0.02 0.00 0.00 175.30 176.55 2pyl s LYS 7 N -3.16 3.83 -0.09 3.54 1.02 -1.26 -4.88 119.74 118.75 2pyl s LYS 7 Ca 0.57 1.24 0.03 0.00 0.02 0.00 0.00 55.97 57.83 2pyl s LYS 7 Cb -0.10 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.11 2pyl s LYS 7 CO 0.17 -0.39 -0.19 -1.64 -0.92 0.00 0.00 175.35 172.38 2pyl s MET 8 N -3.44 2.55 0.04 1.68 -1.94 -1.26 -0.68 119.30 116.25 2pyl s MET 8 Ca 0.65 -0.70 0.07 0.00 -1.71 0.00 0.00 55.69 53.99 2pyl s MET 8 Cb -0.14 -1.98 -0.02 0.00 2.01 0.00 0.00 34.83 34.69 2pyl s MET 8 CO 0.22 0.11 -0.19 0.71 -0.01 0.00 0.00 175.02 175.86 2pyl s TYR 9 N 0.50 1.70 -0.21 -0.03 1.51 0.04 -0.35 117.35 120.52 2pyl s TYR 9 Ca -0.16 -0.36 -0.08 0.00 -1.01 0.00 0.00 57.07 55.46 2pyl s TYR 9 Cb -0.17 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 2pyl s TYR 9 CO 0.06 0.07 0.08 0.45 -1.11 0.00 0.00 175.55 175.10 2pyl s SER 10 N -1.07 5.52 0.16 2.29 0.15 0.09 -1.15 113.70 119.69 2pyl s SER 10 Ca 0.07 -0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.75 2pyl s SER 10 Cb -0.08 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 2pyl s SER 10 CO 0.01 0.09 -0.12 0.00 1.20 0.00 0.00 173.24 174.42 2pyl s ALA 12 N -3.17 -1.60 0.12 0.00 0.00 -0.72 -4.18 121.76 112.21 2pyl s ALA 12 Ca 0.18 0.91 0.11 0.00 0.00 0.00 0.00 51.96 53.16 2pyl s ALA 12 Cb 0.01 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 2pyl s ALA 12 CO 0.03 -0.50 -0.26 -0.06 0.00 0.00 0.00 175.76 174.96 2pyl s PHE 13 N -2.16 2.27 -0.11 0.00 2.99 -1.26 -1.29 117.98 118.43 2pyl s PHE 13 Ca -0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 56.93 56.47 2pyl s PHE 13 Cb -0.01 -1.25 -0.03 0.00 0.00 0.00 0.00 43.02 41.74 2pyl s PHE 13 CO 0.01 0.30 -0.07 -1.21 -0.00 0.00 0.00 175.22 174.25 2pyl s GLU 14 N -1.93 3.17 0.13 0.44 0.41 0.06 -4.98 118.70 116.00 2pyl s GLU 14 Ca 0.13 -0.57 0.05 0.00 -0.41 0.00 0.00 54.97 54.18 2pyl s GLU 14 Cb -0.10 -2.70 -0.04 0.00 -1.78 0.00 0.00 34.13 29.51 2pyl s GLU 14 CO 0.05 0.44 -0.13 0.95 -0.49 0.00 0.00 175.26 176.08 2pyl s THR 15 N -0.20 1.27 0.64 3.63 -4.23 -1.26 -0.87 115.64 114.62 2pyl s THR 15 Ca 0.02 -1.81 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 2pyl s THR 15 Cb -0.13 -1.60 -0.02 0.00 1.34 0.00 0.00 72.50 72.09 2pyl s THR 15 CO 0.03 -0.51 1.04 0.42 -0.54 0.00 0.00 174.62 175.05 2pyl s THR 16 N -2.47 4.25 -0.49 3.99 -4.23 0.24 -4.87 115.64 112.05 2pyl s THR 16 Ca 0.11 0.82 0.10 0.00 -1.18 0.00 0.00 61.69 61.54 2pyl s THR 16 Cb -0.03 -3.57 0.28 0.00 1.34 0.00 0.00 72.50 70.52 2pyl s THR 16 CO 0.02 -0.87 1.22 0.35 -0.54 0.00 0.00 174.62 174.80 2pyl n THR 17 N -2.67 1.33 -3.08 3.99 -2.24 -1.26 -4.44 114.28 105.90 2pyl n THR 17 Ca 0.07 -1.28 -0.39 0.00 -2.27 0.00 0.00 64.05 60.17 2pyl n THR 17 Cb 0.54 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.00 2pyl n THR 17 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2pyl s LYS 18 N -1.52 4.42 0.52 -0.78 1.02 -1.25 -4.85 119.74 117.30 2pyl s LYS 18 Ca 0.22 0.82 0.23 0.00 0.02 0.00 0.00 55.97 57.27 2pyl s LYS 18 Cb 0.15 -3.44 1.35 0.00 -0.52 0.00 0.00 37.83 35.37 2pyl s LYS 18 CO 0.10 0.10 2.01 0.28 -0.92 0.00 0.00 175.35 176.91 2pyl h VAL 19 N 4.70 0.77 0.00 3.17 2.07 -1.99 -2.89 116.25 122.09 2pyl h VAL 19 Ca -0.41 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2pyl h VAL 19 Cb 1.20 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2pyl h VAL 19 CO 0.75 0.01 -0.34 -1.84 0.02 0.00 0.00 177.57 176.16 2pyl n GLU 20 N -4.40 0.12 -3.84 1.57 -0.00 -1.26 -4.52 120.64 108.30 2pyl n GLU 20 Ca 0.09 -0.96 -0.30 0.00 -0.00 0.00 0.00 57.16 55.99 2pyl n GLU 20 Cb 0.54 -0.56 -0.13 0.00 -0.00 0.00 0.00 31.44 31.29 2pyl n GLU 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2pyl s ASP 21 N -0.84 4.02 -0.38 -1.84 -1.08 -1.21 -5.14 116.67 110.20 2pyl s ASP 21 Ca 0.02 -2.87 -0.10 0.00 -0.52 0.00 0.00 52.55 49.08 2pyl s ASP 21 Cb 0.01 -1.37 0.04 0.00 -1.46 0.00 0.00 42.92 40.15 2pyl s ASP 21 CO 0.00 -0.24 0.21 0.00 0.52 0.00 0.00 175.17 175.66 2pyl s ARG 23 N 1.49 1.20 0.05 0.00 1.70 -1.26 -4.25 118.95 117.88 2pyl s ARG 23 Ca 0.02 -0.58 -0.31 0.00 -0.47 0.00 0.00 55.73 54.39 2pyl s ARG 23 Cb -0.20 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.66 2pyl s ARG 23 CO 0.05 -0.50 1.18 0.08 -1.08 0.00 0.00 175.30 175.03 2pyl s VAL 24 N -3.78 4.11 -0.15 4.99 1.01 -1.26 -0.60 120.40 124.72 2pyl s VAL 24 Ca 0.02 1.51 0.12 0.00 0.00 0.00 0.00 61.98 63.63 2pyl s VAL 24 Cb 0.00 -3.97 -0.17 0.00 0.00 0.00 0.00 36.38 32.24 2pyl s VAL 24 CO -0.12 0.11 0.32 -2.67 0.00 0.00 0.00 175.10 172.74 2pyl n TRP 25 N 3.95 0.00 -3.75 5.22 4.27 -0.05 -4.67 117.44 122.42 2pyl n TRP 25 Ca 0.09 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.56 2pyl n TRP 25 Cb 0.47 -0.20 -0.09 0.00 -1.36 0.00 0.00 31.31 30.13 2pyl n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2pyl s ALA 26 N -2.62 -0.83 0.21 -1.67 0.00 -1.05 -4.42 121.76 111.38 2pyl s ALA 26 Ca -0.02 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.46 2pyl s ALA 26 Cb 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 2pyl s ALA 26 CO 0.48 -0.25 -0.05 1.52 0.00 0.00 0.00 175.76 177.46 2pyl s TYR 27 N -1.06 1.54 -0.03 0.00 -0.85 -0.49 -0.76 117.35 115.71 2pyl s TYR 27 Ca -0.11 -0.81 -0.12 0.00 -0.52 0.00 0.00 57.07 55.51 2pyl s TYR 27 Cb -0.05 -0.84 0.02 0.00 0.38 0.00 0.00 41.96 41.47 2pyl s TYR 27 CO 0.04 0.08 0.26 0.20 -1.52 0.00 0.00 175.55 174.60 2pyl s GLY 28 N -3.28 -0.11 0.04 5.49 0.00 -0.41 -2.61 107.32 106.43 2pyl s GLY 28 Ca 0.25 0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.27 2pyl s GLY 28 CO 0.07 0.12 -0.06 -2.52 0.00 0.00 0.00 173.10 170.71 2pyl s TYR 29 N -1.06 0.52 -0.14 1.90 -0.85 -0.85 -1.75 117.35 115.12 2pyl s TYR 29 Ca -0.11 -0.58 -0.06 0.00 -0.52 0.00 0.00 57.07 55.79 2pyl s TYR 29 Cb -0.05 -0.33 0.06 0.00 0.38 0.00 0.00 41.96 42.02 2pyl s TYR 29 CO 0.03 -0.15 0.32 1.41 -1.52 0.00 0.00 175.55 175.64 2pyl s MET 30 N -1.85 0.26 0.10 -3.49 1.75 -0.01 -1.41 119.30 114.65 2pyl s MET 30 Ca -0.10 0.71 -0.31 0.00 -1.25 0.00 0.00 55.69 54.74 2pyl s MET 30 Cb -0.08 -0.03 -0.10 0.00 2.84 0.00 0.00 34.83 37.47 2pyl s MET 30 CO -0.01 -0.20 1.82 1.21 -0.65 0.00 0.00 175.02 177.19 2pyl s ASN 31 N 1.69 6.45 0.53 1.11 3.04 0.60 -0.73 114.94 127.63 2pyl s ASN 31 Ca -0.06 2.70 0.30 0.00 0.04 0.00 0.00 52.86 55.84 2pyl s ASN 31 Cb -0.10 -2.56 1.44 0.00 -1.54 0.00 0.00 41.25 38.48 2pyl s ASN 31 CO -0.10 -0.99 2.04 0.40 -3.04 0.00 0.00 177.10 175.40 2pyl h ILE 32 N 4.82 0.39 -0.11 -5.21 2.04 -1.03 -2.64 117.51 115.78 2pyl h ILE 32 Ca -0.46 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2pyl h ILE 32 Cb 1.22 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2pyl h ILE 32 CO 0.94 0.10 0.00 -1.84 0.00 0.00 0.00 178.15 177.36 2pyl n GLU 33 N -3.42 2.04 -2.92 2.37 0.28 -1.26 -4.81 120.64 112.92 2pyl n GLU 33 Ca -0.01 -2.58 -0.02 0.00 -0.16 0.00 0.00 57.16 54.39 2pyl n GLU 33 Cb 0.27 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.57 2pyl n GLU 33 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2pyl s ASP 34 N -2.34 -1.43 0.61 -1.84 2.15 -1.00 -5.03 116.67 107.79 2pyl s ASP 34 Ca 0.33 -1.34 0.41 0.00 0.43 0.00 0.00 52.55 52.38 2pyl s ASP 34 Cb 0.28 1.86 2.18 0.00 -0.30 0.00 0.00 42.92 46.94 2pyl s ASP 34 CO 0.05 -0.09 2.25 0.45 -0.17 0.00 0.00 175.17 177.66 2pyl h HIS 35 N 5.69 0.00 0.00 -5.34 3.86 -1.87 -0.18 115.15 117.32 2pyl h HIS 35 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2pyl h HIS 35 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2pyl h HIS 35 CO 0.11 0.00 0.00 0.66 0.86 0.00 0.00 177.93 179.56 2pyl h SER 36 N 0.00 0.00 -2.91 2.45 4.64 -1.96 -3.38 113.55 112.39 2pyl h SER 36 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 2pyl h SER 36 Cb 0.05 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 61.94 2pyl h SER 36 CO 0.00 0.00 0.23 -0.70 -0.87 0.00 0.00 176.83 175.49 2pyl s GLU 37 N -3.44 3.18 0.14 4.77 2.12 -0.08 -4.99 118.70 120.40 2pyl s GLU 37 Ca 0.04 -1.47 -0.15 0.00 0.36 0.00 0.00 54.97 53.76 2pyl s GLU 37 Cb 0.09 -4.37 0.02 0.00 0.26 0.00 0.00 34.13 30.14 2pyl s GLU 37 CO 0.51 -1.57 0.39 1.52 -0.54 0.00 0.00 175.26 175.57 2pyl s TYR 38 N 2.52 -0.06 -0.20 5.30 -0.85 -1.26 -0.29 117.35 122.51 2pyl s TYR 38 Ca 0.15 -0.29 -0.12 0.00 -0.52 0.00 0.00 57.07 56.30 2pyl s TYR 38 Cb -0.20 0.21 0.06 0.00 0.38 0.00 0.00 41.96 42.42 2pyl s TYR 38 CO 0.03 -0.74 0.50 0.21 -1.52 0.00 0.00 175.55 174.03 2pyl s LYS 39 N -3.85 0.50 -0.11 -3.49 2.47 -0.50 -5.00 119.74 109.77 2pyl s LYS 39 Ca 0.07 0.90 0.02 0.00 -1.56 0.00 0.00 55.97 55.40 2pyl s LYS 39 Cb 0.02 0.06 -0.01 0.00 -1.46 0.00 0.00 37.83 36.44 2pyl s LYS 39 CO -0.08 -0.15 -0.18 0.42 0.16 0.00 0.00 175.35 175.52 2pyl s ILE 40 N 1.34 2.59 0.28 5.43 1.01 -1.26 -2.01 121.20 128.58 2pyl s ILE 40 Ca -0.09 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 2pyl s ILE 40 Cb -0.07 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 2pyl s ILE 40 CO -0.13 0.54 0.35 -0.83 0.00 0.00 0.00 174.94 174.87 2pyl s GLY 41 N 0.30 1.39 -0.06 6.18 0.00 -1.07 -5.02 107.32 109.04 2pyl s GLY 41 Ca -0.14 -1.51 0.14 0.00 0.00 0.00 0.00 44.72 43.21 2pyl s GLY 41 CO 0.07 -1.10 1.36 1.16 0.00 0.00 0.00 173.10 174.59 2pyl n ASN 42 N -0.89 3.46 -3.81 1.64 6.94 -1.26 -1.39 115.26 119.94 2pyl n ASN 42 Ca 0.02 -2.33 -0.22 0.00 -0.02 0.00 0.00 54.58 52.02 2pyl n ASN 42 Cb 0.63 -0.37 -0.17 0.00 -2.36 0.00 0.00 39.78 37.51 2pyl n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2pyl s SER 43 N -1.25 1.48 0.22 0.53 0.15 -1.26 -4.44 113.70 109.13 2pyl s SER 43 Ca 0.33 -0.11 -0.05 0.00 0.70 0.00 0.00 55.95 56.82 2pyl s SER 43 Cb 0.21 -0.47 0.21 0.00 -1.71 0.00 0.00 66.02 64.26 2pyl s SER 43 CO 0.16 -0.16 1.69 0.25 1.20 0.00 0.00 173.24 176.38 2pyl h LEU 44 N 8.06 0.86 -0.92 3.45 5.85 -1.94 -1.98 115.31 128.68 2pyl h LEU 44 Ca -0.25 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.31 2pyl h LEU 44 Cb 1.13 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.86 2pyl h LEU 44 CO 0.32 0.96 0.57 0.44 -0.34 0.00 0.00 178.44 180.39 2pyl h ASP 45 N 0.79 0.88 -0.40 1.25 3.32 -1.98 0.13 116.42 120.41 2pyl h ASP 45 Ca 0.14 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 2pyl h ASP 45 Cb 0.57 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2pyl h ASP 45 CO 0.03 0.53 -0.15 -0.08 -1.72 0.00 0.00 179.24 177.86 2pyl h GLU 46 N 1.00 0.81 -0.10 3.56 4.81 -1.92 -1.79 114.58 120.95 2pyl h GLU 46 Ca 0.42 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2pyl h GLU 46 Cb 0.28 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 2pyl h GLU 46 CO -0.21 0.96 0.02 0.35 -0.73 0.00 0.00 179.01 179.40 2pyl h PHE 47 N 0.62 0.17 0.00 0.92 3.57 -1.13 -2.80 116.94 118.30 2pyl h PHE 47 Ca 0.10 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 2pyl h PHE 47 Cb 0.69 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2pyl h PHE 47 CO 0.05 0.36 -0.18 0.52 -2.23 0.00 0.00 178.31 176.83 2pyl h MET 48 N -0.06 0.00 -0.51 1.11 2.86 -0.76 0.45 114.93 118.02 2pyl h MET 48 Ca 0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2pyl h MET 48 Cb 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2pyl h MET 48 CO 0.00 0.18 -0.11 0.00 1.06 0.00 0.00 176.91 178.05 2pyl h ALA 49 N 1.82 0.85 -0.31 6.32 0.00 -1.28 -1.70 119.26 124.97 2pyl h ALA 49 Ca -0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2pyl h ALA 49 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2pyl h ALA 49 CO 0.02 0.65 -0.08 2.35 0.00 0.00 0.00 179.25 182.20 2pyl h TRP 50 N 0.84 0.67 -0.69 0.00 7.01 -0.96 -3.02 115.95 119.81 2pyl h TRP 50 Ca 0.14 -0.15 0.10 0.00 2.11 0.00 0.00 58.89 61.09 2pyl h TRP 50 Cb 0.65 -0.16 -0.07 0.00 -2.10 0.00 0.00 29.16 27.47 2pyl h TRP 50 CO 0.04 0.78 0.31 0.28 -2.79 0.00 0.00 178.44 177.07 2pyl h VAL 51 N 0.37 0.80 -0.15 2.65 2.07 -0.86 -0.44 116.25 120.69 2pyl h VAL 51 Ca 0.08 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 2pyl h VAL 51 Cb 0.57 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2pyl h VAL 51 CO 0.03 0.10 -0.23 -0.07 0.02 0.00 0.00 177.57 177.42 2pyl h LEU 52 N 0.53 0.26 0.00 2.57 3.38 -1.28 -3.24 115.31 117.52 2pyl h LEU 52 Ca 0.35 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2pyl h LEU 52 Cb 0.40 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2pyl h LEU 52 CO -0.29 0.49 -1.12 2.29 0.09 0.00 0.00 178.44 179.90 2pyl n LYS 53 N -4.18 0.45 0.11 1.13 -0.00 -0.91 -4.61 118.16 110.15 2pyl n LYS 53 Ca -0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.31 58.24 2pyl n LYS 53 Cb 0.35 -1.45 0.07 0.00 -0.00 0.00 0.00 35.03 34.00 2pyl n LYS 53 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 2pyl h VAL 54 N 0.00 1.44 -5.98 0.58 3.04 -1.12 -3.48 116.25 110.73 2pyl h VAL 54 Ca 0.00 -2.55 -0.38 0.00 -1.01 0.00 0.00 66.70 62.75 2pyl h VAL 54 Cb 0.56 2.41 0.10 0.00 -2.01 0.00 0.00 31.29 32.34 2pyl h VAL 54 CO 0.00 0.71 -0.87 0.00 -1.01 0.00 0.00 177.57 176.40 2pyl n GLN 55 N -3.56 -3.30 -4.34 4.17 6.02 -1.26 -4.97 117.38 110.14 2pyl n GLN 55 Ca -0.00 0.63 -0.21 0.00 -0.01 0.00 0.00 57.00 57.41 2pyl n GLN 55 Cb 0.73 -5.02 -0.08 0.00 1.02 0.00 0.00 30.24 26.89 2pyl n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pyl s ALA 56 N -3.55 2.09 -0.24 -1.58 0.00 -1.26 -4.62 121.76 112.62 2pyl s ALA 56 Ca 0.24 -1.83 -0.09 0.00 0.00 0.00 0.00 51.96 50.27 2pyl s ALA 56 Cb -0.06 1.29 -0.04 0.00 0.00 0.00 0.00 23.12 24.31 2pyl s ALA 56 CO 0.81 -0.58 0.13 -0.51 0.00 0.00 0.00 175.76 175.61 2pyl s ASP 57 N -3.42 5.80 0.04 0.00 1.01 0.15 -1.94 116.67 118.31 2pyl s ASP 57 Ca 0.36 0.02 0.04 0.00 0.71 0.00 0.00 52.55 53.68 2pyl s ASP 57 Cb 0.03 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 2pyl s ASP 57 CO 0.23 0.05 -0.06 -0.76 0.21 0.00 0.00 175.17 174.84 2pyl s LEU 58 N 1.16 3.22 -0.08 1.23 1.02 0.83 -0.78 118.68 125.29 2pyl s LEU 58 Ca 0.06 -0.19 0.02 0.00 0.02 0.00 0.00 54.13 54.03 2pyl s LEU 58 Cb -0.14 -1.91 0.02 0.00 0.02 0.00 0.00 46.19 44.18 2pyl s LEU 58 CO 0.05 0.24 -0.11 -0.31 0.02 0.00 0.00 176.35 176.24 2pyl s TYR 59 N -1.11 1.44 0.02 0.29 1.51 -0.30 0.73 117.35 119.93 2pyl s TYR 59 Ca 0.20 -0.58 0.05 0.00 -1.01 0.00 0.00 57.07 55.73 2pyl s TYR 59 Cb -0.11 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 2pyl s TYR 59 CO 0.11 -0.34 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.02 2pyl s PHE 60 N 0.94 2.70 -0.56 2.71 0.40 -0.88 -0.35 117.98 122.95 2pyl s PHE 60 Ca -0.09 -0.16 -0.24 0.00 -0.60 0.00 0.00 56.93 55.83 2pyl s PHE 60 Cb -0.15 -1.54 0.04 0.00 0.51 0.00 0.00 43.02 41.89 2pyl s PHE 60 CO 0.00 0.29 0.96 -1.58 0.70 0.00 0.00 175.22 175.60 2pyl s HIS 61 N -0.93 2.77 -0.00 0.36 2.46 -1.26 -1.72 115.29 116.97 2pyl s HIS 61 Ca 0.15 0.01 -0.00 0.00 0.47 0.00 0.00 55.06 55.69 2pyl s HIS 61 Cb -0.11 -4.12 -0.00 0.00 -0.13 0.00 0.00 32.58 28.23 2pyl s HIS 61 CO 0.06 -1.38 0.00 -1.71 -2.47 0.00 0.00 174.74 169.24 2pyl n ASN 62 N 7.55 -2.01 -0.05 9.88 4.05 -1.26 -4.93 115.26 128.49 2pyl n ASN 62 Ca 0.02 -0.00 0.18 0.00 0.45 0.00 0.00 54.58 55.23 2pyl n ASN 62 Cb 0.48 -0.96 0.62 0.00 1.23 0.00 0.00 39.78 41.14 2pyl n ASN 62 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 2pyl h LEU 63 N 0.00 0.14 -1.29 1.20 5.85 -1.86 -1.49 115.31 117.86 2pyl h LEU 63 Ca -0.00 0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.93 2pyl h LEU 63 Cb 1.00 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.92 2pyl h LEU 63 CO 0.00 0.07 0.61 0.50 -0.34 0.00 0.00 178.44 179.29 2pyl h LYS 64 N 0.15 0.55 0.00 1.25 3.64 -1.94 0.52 116.57 120.74 2pyl h LYS 64 Ca 0.29 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2pyl h LYS 64 Cb 0.94 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2pyl h LYS 64 CO -0.04 0.36 -0.19 0.35 -2.27 0.00 0.00 179.45 177.66 2pyl h PHE 65 N 0.57 0.00 -0.67 1.91 3.57 -1.64 -3.32 116.94 117.35 2pyl h PHE 65 Ca 0.53 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.96 2pyl h PHE 65 Cb 1.08 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 2pyl h PHE 65 CO -0.00 0.51 0.17 0.00 -2.23 0.00 0.00 178.31 176.76 2pyl h ALA 66 N -0.59 1.03 -0.43 2.41 0.00 -1.51 -3.09 119.26 117.08 2pyl h ALA 66 Ca -0.04 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.70 2pyl h ALA 66 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2pyl h ALA 66 CO -0.02 0.64 0.29 0.78 0.00 0.00 0.00 179.25 180.94 2pyl h GLY 67 N 1.07 0.39 1.04 0.00 0.00 -0.14 -1.65 103.07 103.79 2pyl h GLY 67 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2pyl h GLY 67 CO -0.00 0.09 0.51 0.00 0.00 0.00 0.00 176.54 177.14 2pyl h ALA 68 N 1.77 1.19 -0.10 3.60 0.00 -1.64 0.16 119.26 124.25 2pyl h ALA 68 Ca 0.19 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 2pyl h ALA 68 Cb 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2pyl h ALA 68 CO -0.04 0.66 -0.68 0.74 0.00 0.00 0.00 179.25 179.93 2pyl h PHE 69 N 1.26 0.56 -0.16 0.00 -1.00 -1.45 -2.55 116.94 113.61 2pyl h PHE 69 Ca 0.32 -0.23 -0.11 0.00 2.81 0.00 0.00 57.97 60.76 2pyl h PHE 69 Cb 0.00 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.47 2pyl h PHE 69 CO 0.01 0.98 -0.32 0.82 -1.61 0.00 0.00 178.31 178.18 2pyl h ILE 70 N 0.30 1.35 -0.26 -0.55 2.04 -1.03 -2.66 117.51 116.70 2pyl h ILE 70 Ca -0.02 -1.58 -0.12 0.00 1.00 0.00 0.00 64.86 64.14 2pyl h ILE 70 Cb 1.24 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 2pyl h ILE 70 CO 0.12 0.48 -0.34 0.40 0.00 0.00 0.00 178.15 178.80 2pyl h ILE 71 N 0.12 1.29 -0.82 -0.67 2.04 -0.77 -1.40 117.51 117.31 2pyl h ILE 71 Ca 0.00 -1.47 0.05 0.00 1.00 0.00 0.00 64.86 64.45 2pyl h ILE 71 Cb 0.92 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 2pyl h ILE 71 CO 0.07 0.47 0.53 0.78 0.00 0.00 0.00 178.15 180.00 2pyl h ASN 72 N 0.48 0.81 -0.04 1.72 4.21 -1.48 -0.48 115.58 120.80 2pyl h ASN 72 Ca 0.05 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.54 2pyl h ASN 72 Cb 0.83 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.85 2pyl h ASN 72 CO 0.07 0.54 -0.04 -0.25 -1.29 0.00 0.00 177.43 176.45 2pyl h TRP 73 N 0.93 0.13 -0.26 1.19 7.01 -1.14 -3.05 115.95 120.76 2pyl h TRP 73 Ca 0.34 -0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.35 2pyl h TRP 73 Cb 0.17 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 2pyl h TRP 73 CO -0.00 0.57 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.13 2pyl h LEU 74 N -0.35 -0.13 -2.28 0.65 3.38 -1.06 -1.96 115.31 113.56 2pyl h LEU 74 Ca 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2pyl h LEU 74 Cb 0.55 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2pyl h LEU 74 CO 0.01 -0.04 -0.05 -0.33 0.09 0.00 0.00 178.44 178.13 2pyl h GLU 75 N 0.06 0.00 -0.01 1.13 4.39 -1.15 -1.58 114.58 117.43 2pyl h GLU 75 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2pyl h GLU 75 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2pyl h GLU 75 CO -0.22 0.05 -0.27 0.54 -1.16 0.00 0.00 179.01 177.95 2pyl n ARG 76 N -3.59 1.22 -1.31 2.33 1.74 -0.80 -4.37 116.66 111.88 2pyl n ARG 76 Ca -0.02 -0.87 -0.01 0.00 -0.77 0.00 0.00 57.85 56.17 2pyl n ARG 76 Cb 0.16 -1.48 0.11 0.00 -1.02 0.00 0.00 32.46 30.23 2pyl n ARG 76 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pyl n ASN 77 N -0.13 2.24 0.00 0.55 3.02 -0.71 -4.98 115.26 115.24 2pyl n ASN 77 Ca 0.12 -3.29 0.00 0.00 -0.03 0.00 0.00 54.58 51.38 2pyl n ASN 77 Cb 0.41 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2pyl n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pyl n GLY 78 N -0.64 0.82 3.70 7.41 0.00 -1.19 -4.99 105.19 110.30 2pyl n GLY 78 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2pyl n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pyl s PHE 79 N -3.26 3.46 0.35 1.61 0.40 -0.68 -4.84 117.98 115.01 2pyl s PHE 79 Ca 0.00 0.86 0.09 0.00 -0.60 0.00 0.00 56.93 57.28 2pyl s PHE 79 Cb 0.00 -2.62 -0.05 0.00 0.51 0.00 0.00 43.02 40.86 2pyl s PHE 79 CO 0.00 0.05 0.04 -1.59 0.70 0.00 0.00 175.22 174.42 2pyl s LYS 80 N 1.08 2.13 0.15 0.44 -2.85 -1.20 -3.61 119.74 115.88 2pyl s LYS 80 Ca 0.26 -1.73 -0.30 0.00 -1.00 0.00 0.00 55.97 53.20 2pyl s LYS 80 Cb -0.15 -1.97 -0.07 0.00 -2.06 0.00 0.00 37.83 33.58 2pyl s LYS 80 CO 0.10 0.11 1.03 -0.46 0.10 0.00 0.00 175.35 176.24 2pyl s TRP 81 N -2.51 3.71 -0.23 1.78 -0.00 -1.26 -1.70 118.94 118.73 2pyl s TRP 81 Ca 0.36 1.70 -0.16 0.00 -0.00 0.00 0.00 56.10 57.99 2pyl s TRP 81 Cb -0.00 -3.17 0.06 0.00 -0.00 0.00 0.00 33.47 30.37 2pyl s TRP 81 CO 0.20 -0.21 0.57 0.45 -0.00 0.00 0.00 176.95 177.96 2pyl s SER 82 N -0.07 -0.69 0.33 5.86 0.15 -0.28 -4.88 113.70 114.12 2pyl s SER 82 Ca 0.48 1.21 0.21 0.00 0.70 0.00 0.00 55.95 58.56 2pyl s SER 82 Cb -0.26 1.15 0.18 0.00 -1.71 0.00 0.00 66.02 65.38 2pyl s SER 82 CO 0.32 -0.21 1.39 0.00 1.20 0.00 0.00 173.24 175.94 2pyl h ALA 83 N 6.23 0.80 0.00 5.45 0.00 -1.97 -3.30 119.26 126.47 2pyl h ALA 83 Ca -0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2pyl h ALA 83 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2pyl h ALA 83 CO 0.18 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.33 2pyl n ASP 84 N -3.00 0.38 -4.01 0.00 8.00 -1.26 -4.89 116.55 111.77 2pyl n ASP 84 Ca 0.02 -1.74 -0.31 0.00 0.71 0.00 0.00 54.79 53.47 2pyl n ASP 84 Cb 0.59 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 2pyl n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pyl n GLY 85 N 0.24 -0.42 3.87 0.44 0.00 -1.26 -4.97 105.19 103.10 2pyl n GLY 85 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2pyl n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyl s LEU 86 N -7.18 3.33 0.52 0.99 1.43 -1.26 -5.00 118.68 111.52 2pyl s LEU 86 Ca 0.54 1.35 -0.23 0.00 -1.03 0.00 0.00 54.13 54.76 2pyl s LEU 86 Cb -0.28 -4.37 -0.06 0.00 0.03 0.00 0.00 46.19 41.51 2pyl s LEU 86 CO 0.87 -0.80 1.38 -2.65 0.23 0.00 0.00 176.35 175.39 2pyl n PRO 87 N -2.57 1.84 -3.24 1.29 -0.02 -1.26 -3.03 135.00 128.01 2pyl n PRO 87 Ca 0.05 0.67 -0.23 0.00 -2.02 0.00 0.00 63.50 61.97 2pyl n PRO 87 Cb 0.54 -2.60 0.04 0.00 -0.02 0.00 0.00 33.50 31.47 2pyl n PRO 87 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2pyl n ASN 88 N -0.81 -5.80 -4.29 2.55 3.02 -0.38 -4.98 115.26 104.57 2pyl n ASN 88 Ca 0.09 -0.38 -0.16 0.00 -0.03 0.00 0.00 54.58 54.10 2pyl n ASN 88 Cb 0.44 -4.66 -0.10 0.00 -0.61 0.00 0.00 39.78 34.84 2pyl n ASN 88 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2pyl s THR 89 N -3.18 1.10 0.08 3.41 -4.23 -1.17 -3.23 115.64 108.41 2pyl s THR 89 Ca 0.40 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 58.93 2pyl s THR 89 Cb -0.18 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 2pyl s THR 89 CO 0.49 -0.51 -0.20 -0.72 -0.54 0.00 0.00 174.62 173.14 2pyl s TYR 90 N -3.38 1.76 0.18 3.99 -0.85 -0.69 -0.79 117.35 117.57 2pyl s TYR 90 Ca 0.23 -0.40 0.07 0.00 -0.52 0.00 0.00 57.07 56.45 2pyl s TYR 90 Cb 0.04 -1.00 -0.04 0.00 0.38 0.00 0.00 41.96 41.34 2pyl s TYR 90 CO 0.05 0.15 0.03 1.21 -1.52 0.00 0.00 175.55 175.47 2pyl s ASN 91 N -1.58 4.93 0.06 -0.18 2.47 0.67 -1.12 114.94 120.19 2pyl s ASN 91 Ca 0.06 -0.34 0.03 0.00 0.42 0.00 0.00 52.86 53.03 2pyl s ASN 91 Cb -0.09 -1.11 -0.03 0.00 -1.45 0.00 0.00 41.25 38.57 2pyl s ASN 91 CO 0.03 0.08 -0.10 0.42 -3.72 0.00 0.00 177.10 173.81 2pyl s THR 92 N -1.76 0.77 -0.50 -5.21 -4.23 -1.26 -0.66 115.64 102.79 2pyl s THR 92 Ca 0.28 -1.22 -0.04 0.00 -1.18 0.00 0.00 61.69 59.54 2pyl s THR 92 Cb -0.09 -0.85 0.13 0.00 1.34 0.00 0.00 72.50 73.03 2pyl s THR 92 CO 0.20 -0.35 0.32 -0.63 -0.54 0.00 0.00 174.62 173.62 2pyl s ILE 93 N -1.47 3.63 -0.18 2.99 1.01 -0.40 -4.98 121.20 121.80 2pyl s ILE 93 Ca -0.06 -2.34 0.01 0.00 0.00 0.00 0.00 60.65 58.27 2pyl s ILE 93 Cb -0.09 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.98 2pyl s ILE 93 CO 0.01 -0.78 -0.18 -0.63 0.00 0.00 0.00 174.94 173.36 2pyl s ILE 94 N 0.74 1.96 0.91 2.92 1.01 -1.26 -1.01 121.20 126.47 2pyl s ILE 94 Ca 0.11 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 2pyl s ILE 94 Cb -0.22 -1.80 0.14 0.00 0.01 0.00 0.00 42.46 40.59 2pyl s ILE 94 CO -0.04 0.50 1.14 -0.94 0.00 0.00 0.00 174.94 175.60 2pyl s SER 95 N 1.32 3.54 0.14 3.58 1.04 0.41 -0.79 113.70 122.94 2pyl s SER 95 Ca 0.05 0.97 -0.09 0.00 0.48 0.00 0.00 55.95 57.36 2pyl s SER 95 Cb -0.13 -1.55 -0.06 0.00 0.10 0.00 0.00 66.02 64.38 2pyl s SER 95 CO -0.12 -2.53 1.39 -0.09 0.98 0.00 0.00 173.24 172.87 2pyl h ARG 96 N -1.48 0.73 0.00 4.02 2.43 -1.86 0.11 114.38 118.32 2pyl h ARG 96 Ca -0.50 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 58.14 2pyl h ARG 96 Cb 1.33 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2pyl h ARG 96 CO 0.62 1.15 0.00 -1.33 -1.51 0.00 0.00 179.97 178.90 2pyl n MET 97 N -3.95 0.01 -1.20 0.20 2.81 -1.26 -4.94 117.12 108.78 2pyl n MET 97 Ca -0.05 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 2pyl n MET 97 Cb 0.68 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 2pyl n MET 97 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pyl n GLY 98 N -1.28 1.06 3.69 3.03 0.00 0.36 -5.06 105.19 106.99 2pyl n GLY 98 Ca 0.01 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 2pyl n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pyl s GLN 99 N -2.70 4.27 -0.14 1.61 -1.52 -1.26 -4.82 119.66 115.11 2pyl s GLN 99 Ca 0.00 0.51 -0.16 0.00 -1.95 0.00 0.00 55.36 53.76 2pyl s GLN 99 Cb 0.00 -3.51 -0.04 0.00 -0.22 0.00 0.00 33.01 29.24 2pyl s GLN 99 CO 0.00 -0.03 0.37 -1.58 -0.25 0.00 0.00 175.29 173.80 2pyl s TRP 100 N 1.23 3.48 -0.00 0.91 0.52 -1.26 -0.44 118.94 123.38 2pyl s TRP 100 Ca 0.27 0.72 0.00 0.00 0.02 0.00 0.00 56.10 57.11 2pyl s TRP 100 Cb -0.16 -2.43 -0.00 0.00 -1.15 0.00 0.00 33.47 29.73 2pyl s TRP 100 CO 0.11 0.20 0.00 0.66 0.02 0.00 0.00 176.95 177.94 2pyl n TYR 101 N 3.63 0.00 -3.62 -1.98 4.02 -0.18 -4.74 117.16 114.29 2pyl n TYR 101 Ca -0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.67 2pyl n TYR 101 Cb 0.52 -0.01 -0.07 0.00 -0.02 0.00 0.00 39.34 39.75 2pyl n TYR 101 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 2pyl s MET 102 N -2.01 0.72 -0.13 -0.72 0.00 -1.20 -3.66 119.30 112.30 2pyl s MET 102 Ca -0.00 0.76 0.01 0.00 0.00 0.00 0.00 55.69 56.45 2pyl s MET 102 Cb 0.00 0.35 0.02 0.00 0.00 0.00 0.00 34.83 35.20 2pyl s MET 102 CO 0.01 -0.11 -0.13 0.42 0.00 0.00 0.00 175.02 175.21 2pyl s ILE 103 N 0.14 1.46 -0.26 10.11 1.01 -0.01 -1.28 121.20 132.36 2pyl s ILE 103 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.08 2pyl s ILE 103 Cb -0.04 -1.37 0.05 0.00 0.01 0.00 0.00 42.46 41.10 2pyl s ILE 103 CO -0.01 0.44 -0.08 -0.62 0.00 0.00 0.00 174.94 174.67 2pyl s ASP 104 N 1.36 4.47 -0.31 3.58 3.68 0.17 -0.17 116.67 129.44 2pyl s ASP 104 Ca 0.01 -1.23 -0.11 0.00 2.13 0.00 0.00 52.55 53.36 2pyl s ASP 104 Cb -0.13 -1.61 -0.01 0.00 -1.45 0.00 0.00 42.92 39.71 2pyl s ASP 104 CO -0.08 -0.19 0.18 -0.63 0.13 0.00 0.00 175.17 174.58 2pyl s ILE 105 N 1.19 4.84 -0.27 4.11 1.01 0.35 -0.24 121.20 132.19 2pyl s ILE 105 Ca -0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 2pyl s ILE 105 Cb -0.19 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2pyl s ILE 105 CO -0.04 0.07 0.13 0.00 0.00 0.00 0.00 174.94 175.10 2pyl n LEU 107 N 4.99 0.45 0.00 0.00 4.77 0.98 -1.25 117.00 126.94 2pyl n LEU 107 Ca -0.15 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2pyl n LEU 107 Cb 0.51 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2pyl n LEU 107 CO 0.32 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2pyl n GLY 108 N 1.35 -0.07 2.80 -0.72 0.00 -1.14 -4.26 105.19 103.16 2pyl n GLY 108 Ca -0.09 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 2pyl n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pyl s TYR 109 N -3.59 0.21 -0.39 1.61 2.02 -1.26 0.21 117.35 116.16 2pyl s TYR 109 Ca 0.00 0.05 -0.02 0.00 -0.37 0.00 0.00 57.07 56.72 2pyl s TYR 109 Cb 0.00 -0.35 0.10 0.00 -0.40 0.00 0.00 41.96 41.31 2pyl s TYR 109 CO 0.00 -0.12 0.17 0.15 -1.57 0.00 0.00 175.55 174.18 2pyl s LYS 110 N 1.04 2.01 5.95 -0.62 1.02 -0.35 -4.95 119.74 123.84 2pyl s LYS 110 Ca -0.10 -1.76 0.00 0.00 0.02 0.00 0.00 55.97 54.14 2pyl s LYS 110 Cb -0.13 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 2pyl s LYS 110 CO -0.02 -1.01 0.00 0.41 -0.92 0.00 0.00 175.35 173.81 2pyl n GLY 111 N 4.57 1.66 2.29 -3.33 0.00 -1.26 -3.00 105.19 106.12 2pyl n GLY 111 Ca -0.03 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 2pyl n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pyl n LYS 112 N 12.89 2.45 -3.82 1.61 5.02 -1.26 -4.86 118.16 130.18 2pyl n LYS 112 Ca 0.00 -2.81 -0.23 0.00 -2.02 0.00 0.00 58.31 53.25 2pyl n LYS 112 Cb 0.00 -2.10 -0.17 0.00 -0.02 0.00 0.00 35.03 32.73 2pyl n LYS 112 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2pyl s ARG 113 N -3.20 0.73 0.10 1.97 0.52 -1.16 -5.12 118.95 112.78 2pyl s ARG 113 Ca 0.54 0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 55.50 2pyl s ARG 113 Cb 0.42 -1.03 -0.06 0.00 0.52 0.00 0.00 34.95 34.81 2pyl s ARG 113 CO -0.07 -0.28 1.19 0.21 0.02 0.00 0.00 175.30 176.37 2pyl s LYS 114 N 1.85 4.46 -0.48 3.54 2.20 -1.26 -1.21 119.74 128.84 2pyl s LYS 114 Ca 0.04 1.79 -0.16 0.00 -0.36 0.00 0.00 55.97 57.27 2pyl s LYS 114 Cb -0.12 -3.31 0.07 0.00 -1.51 0.00 0.00 37.83 32.95 2pyl s LYS 114 CO -0.05 -0.18 0.45 0.42 -0.36 0.00 0.00 175.35 175.63 2pyl s ILE 115 N 0.67 5.16 0.06 5.43 -1.09 0.13 -4.93 121.20 126.63 2pyl s ILE 115 Ca 0.56 -0.96 -0.22 0.00 -2.23 0.00 0.00 60.65 57.79 2pyl s ILE 115 Cb -0.30 -4.18 0.05 0.00 -1.58 0.00 0.00 42.46 36.46 2pyl s ILE 115 CO 0.31 -0.64 0.53 -1.38 -1.23 0.00 0.00 174.94 172.53 2pyl s HIS 116 N 1.86 -0.44 -0.08 3.97 -3.43 -1.26 -0.01 115.29 115.90 2pyl s HIS 116 Ca 0.06 0.46 0.03 0.00 -0.80 0.00 0.00 55.06 54.81 2pyl s HIS 116 Cb -0.23 0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 31.26 2pyl s HIS 116 CO 0.08 -0.67 -0.17 0.99 -2.00 0.00 0.00 174.74 172.97 2pyl s THR 117 N -2.59 2.76 -0.08 -5.38 2.01 -0.51 -4.06 115.64 107.80 2pyl s THR 117 Ca -0.04 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.18 2pyl s THR 117 Cb -0.01 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 2pyl s THR 117 CO -0.03 0.56 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.63 2pyl s VAL 118 N -0.13 3.02 -0.14 3.82 1.01 -0.82 -0.50 120.40 126.66 2pyl s VAL 118 Ca -0.02 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2pyl s VAL 118 Cb -0.14 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2pyl s VAL 118 CO 0.04 0.57 -0.22 -0.63 0.00 0.00 0.00 175.10 174.85 2pyl s ILE 119 N -0.30 2.04 0.43 2.22 1.01 0.76 -0.12 121.20 127.24 2pyl s ILE 119 Ca 0.02 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.77 2pyl s ILE 119 Cb -0.13 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 2pyl s ILE 119 CO 0.03 0.55 0.11 -0.31 0.00 0.00 0.00 174.94 175.32 2pyl s TYR 120 N 0.82 2.48 -0.28 3.97 1.51 0.22 -0.83 117.35 125.23 2pyl s TYR 120 Ca -0.07 -0.66 -0.09 0.00 -1.01 0.00 0.00 57.07 55.24 2pyl s TYR 120 Cb -0.15 -1.87 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 2pyl s TYR 120 CO -0.02 0.26 0.12 0.34 -1.11 0.00 0.00 175.55 175.14 2pyl s ASP 121 N -3.85 5.42 0.22 2.29 -1.08 -1.24 -2.07 116.67 116.37 2pyl s ASP 121 Ca 0.36 -0.33 0.26 0.00 -0.52 0.00 0.00 52.55 52.32 2pyl s ASP 121 Cb 0.06 -1.98 0.80 0.00 -1.46 0.00 0.00 42.92 40.34 2pyl s ASP 121 CO 0.19 -0.11 1.77 0.77 0.52 0.00 0.00 175.17 178.31 2pyl h SER 122 N 8.30 0.00 0.28 -0.34 4.64 -1.68 -3.10 113.55 121.65 2pyl h SER 122 Ca -0.35 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 2pyl h SER 122 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2pyl h SER 122 CO 0.59 0.00 -0.13 0.25 -0.87 0.00 0.00 176.83 176.67 2pyl h LEU 123 N 0.00 0.00 -1.22 5.97 5.85 -1.78 0.74 115.31 124.88 2pyl h LEU 123 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2pyl h LEU 123 Cb 0.73 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 2pyl h LEU 123 CO 0.00 0.13 -0.02 0.11 -0.34 0.00 0.00 178.44 178.32 2pyl h LYS 124 N 0.00 0.00 0.00 1.25 1.79 -1.86 -2.43 116.57 115.32 2pyl h LYS 124 Ca -0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 2pyl h LYS 124 Cb 0.31 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.89 2pyl h LYS 124 CO 0.02 0.02 -2.39 1.17 -1.08 0.00 0.00 179.45 177.19 2pyl n LYS 125 N -3.12 0.71 -3.38 3.15 3.00 -0.79 -1.95 118.16 115.80 2pyl n LYS 125 Ca 0.01 0.05 -0.26 0.00 -0.00 0.00 0.00 58.31 58.11 2pyl n LYS 125 Cb 0.35 -1.51 -0.09 0.00 0.00 0.00 0.00 35.03 33.78 2pyl n LYS 125 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2pyl n LEU 126 N -2.94 0.13 -3.27 3.14 4.77 0.19 -4.73 117.00 114.28 2pyl n LEU 126 Ca -0.37 -4.57 -0.31 0.00 -0.03 0.00 0.00 56.01 50.73 2pyl n LEU 126 Cb 1.08 0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 42.57 2pyl n LEU 126 CO 0.35 1.92 2.82 -0.81 -1.33 0.00 0.00 177.39 180.34 2pyl n PRO 127 N 2.29 2.79 -4.03 3.23 -0.04 -0.92 -4.45 135.00 133.87 2pyl n PRO 127 Ca 0.27 -1.83 -0.08 0.00 -0.04 0.00 0.00 63.50 61.82 2pyl n PRO 127 Cb 0.48 -2.65 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 2pyl n PRO 127 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pyl s PHE 128 N 2.93 0.40 0.56 0.54 0.40 -1.26 -5.11 117.98 116.43 2pyl s PHE 128 Ca 0.53 -0.84 -0.20 0.00 -0.60 0.00 0.00 56.93 55.83 2pyl s PHE 128 Cb 0.14 -0.29 -0.06 0.00 0.51 0.00 0.00 43.02 43.32 2pyl s PHE 128 CO -0.04 -0.34 1.07 -2.30 0.70 0.00 0.00 175.22 174.31 2pyl n PRO 129 N 0.57 1.15 -0.35 0.24 -0.02 -1.26 -4.84 135.00 130.50 2pyl n PRO 129 Ca -0.17 0.43 0.10 0.00 -2.02 0.00 0.00 63.50 61.85 2pyl n PRO 129 Cb 0.59 -2.25 0.28 0.00 -0.02 0.00 0.00 33.50 32.10 2pyl n PRO 129 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pyl h VAL 130 N 0.86 0.77 -0.11 -1.45 2.07 -1.99 -1.71 116.25 114.70 2pyl h VAL 130 Ca -0.48 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 66.63 2pyl h VAL 130 Cb 1.35 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2pyl h VAL 130 CO 0.53 0.15 -0.48 0.11 0.02 0.00 0.00 177.57 177.89 2pyl h LYS 131 N 0.81 0.28 -0.41 1.57 1.57 -1.99 -1.75 116.57 116.64 2pyl h LYS 131 Ca 0.54 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 59.03 2pyl h LYS 131 Cb 0.74 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2pyl h LYS 131 CO -0.35 0.71 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.73 2pyl h LYS 132 N 0.22 0.88 -0.51 3.15 3.64 -1.71 -0.80 116.57 121.45 2pyl h LYS 132 Ca 0.01 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 2pyl h LYS 132 Cb 0.94 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 2pyl h LYS 132 CO 0.08 1.05 0.25 0.82 -2.27 0.00 0.00 179.45 179.38 2pyl h ILE 133 N 0.75 1.19 -0.26 2.00 2.04 -1.12 -0.79 117.51 121.31 2pyl h ILE 133 Ca 0.08 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 2pyl h ILE 133 Cb 0.85 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2pyl h ILE 133 CO 0.07 0.21 0.06 0.00 0.00 0.00 0.00 178.15 178.49 2pyl h ALA 134 N 1.09 0.35 0.07 1.87 0.00 -1.15 0.61 119.26 122.10 2pyl h ALA 134 Ca 0.18 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2pyl h ALA 134 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2pyl h ALA 134 CO -0.02 0.01 -0.13 -0.22 0.00 0.00 0.00 179.25 178.89 2pyl h LYS 135 N 0.25 -0.24 0.00 0.00 3.64 -1.05 0.52 116.57 119.69 2pyl h LYS 135 Ca 0.08 0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.25 2pyl h LYS 135 Cb 0.30 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2pyl h LYS 135 CO 0.00 -0.16 -1.13 -0.44 -2.27 0.00 0.00 179.45 175.45 2pyl h ASP 136 N -0.25 0.01 0.38 4.20 3.32 -1.08 -2.89 116.42 120.11 2pyl h ASP 136 Ca 0.02 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2pyl h ASP 136 Cb 0.27 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2pyl h ASP 136 CO -0.08 1.01 -0.06 0.49 -1.72 0.00 0.00 179.24 178.88 2pyl n PHE 137 N -3.30 0.00 -3.06 4.55 3.01 0.20 -4.86 117.46 114.00 2pyl n PHE 137 Ca -0.03 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.33 2pyl n PHE 137 Cb 0.96 -0.19 0.04 0.00 -0.01 0.00 0.00 39.48 40.28 2pyl n PHE 137 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2pyl n LYS 138 N -1.05 -1.82 -4.34 -1.08 5.02 -0.54 -5.03 118.16 109.33 2pyl n LYS 138 Ca 0.16 0.99 -0.22 0.00 -2.02 0.00 0.00 58.31 57.21 2pyl n LYS 138 Cb 0.25 -5.49 -0.11 0.00 -0.02 0.00 0.00 35.03 29.66 2pyl n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pyl s LEU 139 N -4.79 2.43 0.12 -0.35 1.43 0.06 -5.05 118.68 112.54 2pyl s LEU 139 Ca 0.30 -0.85 -0.31 0.00 -1.03 0.00 0.00 54.13 52.23 2pyl s LEU 139 Cb -0.04 -0.87 -0.10 0.00 0.03 0.00 0.00 46.19 45.21 2pyl s LEU 139 CO 0.69 -0.01 1.77 -0.89 0.23 0.00 0.00 176.35 178.13 2pyl s THR 140 N -1.95 2.59 -0.04 5.49 2.01 -1.26 -4.61 115.64 117.87 2pyl s THR 140 Ca 0.16 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.33 2pyl s THR 140 Cb -0.06 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.37 2pyl s THR 140 CO 0.07 0.00 -0.04 0.54 -0.69 0.00 0.00 174.62 174.50 2pyl s VAL 141 N 2.47 0.50 0.41 3.82 0.11 -1.26 -4.83 120.40 121.62 2pyl s VAL 141 Ca 0.78 -0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 59.50 2pyl s VAL 141 Cb -0.45 -0.53 -0.10 0.00 -1.53 0.00 0.00 36.38 33.77 2pyl s VAL 141 CO 0.35 0.22 1.00 -0.76 -3.33 0.00 0.00 175.10 172.57 2pyl s LEU 142 N 0.92 4.06 0.35 2.54 1.43 -1.26 -5.03 118.68 121.69 2pyl s LEU 142 Ca -0.11 1.88 -0.26 0.00 -1.03 0.00 0.00 54.13 54.61 2pyl s LEU 142 Cb -0.14 -4.33 -0.09 0.00 0.03 0.00 0.00 46.19 41.66 2pyl s LEU 142 CO -0.00 -0.44 1.09 -0.54 0.23 0.00 0.00 176.35 176.69 2pyl s LYS 143 N -2.76 4.35 1.80 1.70 3.01 -1.26 -4.89 119.74 121.69 2pyl s LYS 143 Ca 0.60 1.68 0.00 0.00 -1.01 0.00 0.00 55.97 57.23 2pyl s LYS 143 Cb -0.17 -2.83 0.00 0.00 -1.01 0.00 0.00 37.83 33.83 2pyl s LYS 143 CO 0.21 -0.02 0.00 0.41 0.51 0.00 0.00 175.35 176.46 2pyl n GLY 144 N 0.74 -1.51 3.59 -3.33 0.00 -1.26 -5.03 105.19 98.39 2pyl n GLY 144 Ca 0.02 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 2pyl n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pyl s ASP 145 N -4.00 -0.13 0.31 1.61 -1.08 -1.26 -5.15 116.67 106.97 2pyl s ASP 145 Ca 0.00 -0.82 -0.30 0.00 -0.52 0.00 0.00 52.55 50.92 2pyl s ASP 145 Cb 0.00 0.59 -0.12 0.00 -1.46 0.00 0.00 42.92 41.93 2pyl s ASP 145 CO 0.00 -1.13 1.53 -0.38 0.52 0.00 0.00 175.17 175.71 2pyl n ILE 146 N -0.37 1.28 -1.89 4.11 5.41 -1.26 -4.91 119.36 121.72 2pyl n ILE 146 Ca -0.04 -0.32 -0.40 0.00 1.00 0.00 0.00 62.75 62.99 2pyl n ILE 146 Cb 0.62 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.63 2pyl n ILE 146 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2pyl s ASP 147 N 0.29 5.36 0.00 4.38 2.15 -1.26 -4.84 116.67 122.74 2pyl s ASP 147 Ca 0.62 0.99 0.20 0.00 0.43 0.00 0.00 52.55 54.78 2pyl s ASP 147 Cb -0.51 -2.52 0.92 0.00 -0.30 0.00 0.00 42.92 40.50 2pyl s ASP 147 CO 0.53 -2.19 1.62 0.00 -0.17 0.00 0.00 175.17 174.96 2pyl n TYR 148 N 12.35 0.00 0.00 -5.34 4.11 -1.26 -3.36 117.16 123.66 2pyl n TYR 148 Ca 0.25 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 58.00 2pyl n TYR 148 Cb 0.50 -0.38 -0.14 0.00 -0.00 0.00 0.00 39.34 39.31 2pyl n TYR 148 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2pyl h HIS 149 N 0.00 0.28 -2.70 -3.48 3.86 -2.02 -3.47 115.15 107.62 2pyl h HIS 149 Ca 0.00 -0.20 -0.60 0.00 -1.16 0.00 0.00 60.37 58.41 2pyl h HIS 149 Cb 0.25 -0.01 0.11 0.00 1.06 0.00 0.00 27.41 28.83 2pyl h HIS 149 CO 0.00 1.41 0.17 1.17 0.86 0.00 0.00 177.93 181.54 2pyl n LYS 150 N -3.29 1.44 -2.30 2.45 4.81 -1.21 -4.90 118.16 115.15 2pyl n LYS 150 Ca -0.24 0.51 -0.42 0.00 -0.87 0.00 0.00 58.31 57.29 2pyl n LYS 150 Cb 1.05 -1.94 -0.03 0.00 0.02 0.00 0.00 35.03 34.13 2pyl n LYS 150 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2pyl s GLU 151 N -1.69 4.33 -0.35 1.64 2.56 -1.26 -5.00 118.70 118.93 2pyl s GLU 151 Ca 0.59 1.88 -0.00 0.00 0.00 0.00 0.00 54.97 57.43 2pyl s GLU 151 Cb -0.65 -3.50 0.12 0.00 2.00 0.00 0.00 34.13 32.10 2pyl s GLU 151 CO 0.60 -0.48 0.18 1.03 -0.56 0.00 0.00 175.26 176.02 2pyl s ARG 152 N 2.01 0.70 1.20 4.30 0.52 -1.26 -5.10 118.95 121.32 2pyl s ARG 152 Ca 0.61 -1.29 -0.18 0.00 -0.52 0.00 0.00 55.73 54.35 2pyl s ARG 152 Cb -0.30 -1.68 0.28 0.00 0.52 0.00 0.00 34.95 33.77 2pyl s ARG 152 CO 0.26 -1.11 1.08 -2.14 0.02 0.00 0.00 175.30 173.41 2pyl s PRO 153 N 1.20 -1.18 0.28 3.54 0.02 -1.26 -4.88 135.00 132.71 2pyl s PRO 153 Ca 0.14 0.10 -0.30 0.00 0.02 0.00 0.00 61.00 60.97 2pyl s PRO 153 Cb -0.21 -1.59 -0.10 0.00 0.02 0.00 0.00 34.50 32.62 2pyl s PRO 153 CO -0.12 -3.72 1.46 0.08 -0.33 0.00 0.00 177.00 174.38 2pyl s VAL 154 N -2.87 2.48 0.00 3.83 1.01 -1.26 -1.99 120.40 121.60 2pyl s VAL 154 Ca 0.70 0.42 0.00 0.00 0.00 0.00 0.00 61.98 63.09 2pyl s VAL 154 Cb -0.13 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2pyl s VAL 154 CO 0.57 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.35 2pyl n GLY 155 N 1.91 0.71 3.56 4.51 0.00 -1.26 -5.01 105.19 109.60 2pyl n GLY 155 Ca 0.06 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 2pyl n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pyl n TYR 156 N -2.55 1.07 -3.62 1.61 9.36 -0.84 -4.94 117.16 117.26 2pyl n TYR 156 Ca 0.00 0.73 -0.36 0.00 3.32 0.00 0.00 57.90 61.59 2pyl n TYR 156 Cb 0.01 -2.23 -0.08 0.00 -0.63 0.00 0.00 39.34 36.40 2pyl n TYR 156 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2pyl s LYS 157 N -0.64 4.18 0.06 2.98 1.02 -1.26 -4.92 119.74 121.17 2pyl s LYS 157 Ca 0.70 -0.10 -0.31 0.00 0.02 0.00 0.00 55.97 56.29 2pyl s LYS 157 Cb -0.85 -3.47 -0.07 0.00 -0.52 0.00 0.00 37.83 32.92 2pyl s LYS 157 CO 0.54 0.18 1.36 0.42 -0.92 0.00 0.00 175.35 176.94 2pyl s ILE 158 N 0.68 3.58 0.71 2.17 1.01 -1.26 -5.02 121.20 123.07 2pyl s ILE 158 Ca 0.12 1.08 -0.11 0.00 0.00 0.00 0.00 60.65 61.74 2pyl s ILE 158 Cb -0.13 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.67 2pyl s ILE 158 CO 0.02 0.05 1.07 0.42 0.00 0.00 0.00 174.94 176.50 2pyl s THR 159 N 1.57 3.86 0.30 2.92 -4.23 -1.26 -4.85 115.64 113.95 2pyl s THR 159 Ca 0.63 0.61 0.06 0.00 -1.18 0.00 0.00 61.69 61.82 2pyl s THR 159 Cb -0.34 -3.29 0.30 0.00 1.34 0.00 0.00 72.50 70.51 2pyl s THR 159 CO 0.29 -0.78 1.76 -0.65 -0.54 0.00 0.00 174.62 174.70 2pyl h PRO 160 N -0.77 0.68 -0.19 3.99 0.11 -1.99 -1.39 132.00 132.44 2pyl h PRO 160 Ca -0.44 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2pyl h PRO 160 Cb 1.22 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2pyl h PRO 160 CO 0.55 0.45 -0.03 0.93 -0.21 0.00 0.00 178.00 179.70 2pyl h GLU 161 N 0.70 0.36 -0.77 1.05 3.07 -2.00 -2.24 114.58 114.76 2pyl h GLU 161 Ca 0.59 -0.13 -0.05 0.00 -0.50 0.00 0.00 59.36 59.27 2pyl h GLU 161 Cb 0.96 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.81 2pyl h GLU 161 CO -0.41 0.60 0.28 0.93 -1.40 0.00 0.00 179.01 179.01 2pyl h GLU 162 N 0.09 1.16 -0.64 2.33 5.08 -1.88 -1.73 114.58 119.00 2pyl h GLU 162 Ca 0.05 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2pyl h GLU 162 Cb 0.45 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2pyl h GLU 162 CO 0.02 0.96 0.39 -0.92 -1.00 0.00 0.00 179.01 178.45 2pyl h TYR 163 N 1.13 0.72 -0.75 4.33 3.20 -1.22 -1.39 116.97 122.98 2pyl h TYR 163 Ca 0.25 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 2pyl h TYR 163 Cb 0.25 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2pyl h TYR 163 CO 0.02 0.40 0.28 0.00 -1.64 0.00 0.00 178.16 177.22 2pyl h ALA 164 N 1.29 0.98 -0.36 1.82 0.00 -0.98 -1.62 119.26 120.38 2pyl h ALA 164 Ca 0.26 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2pyl h ALA 164 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2pyl h ALA 164 CO -0.12 0.62 0.05 1.88 0.00 0.00 0.00 179.25 181.68 2pyl h TYR 165 N 1.09 0.63 -0.22 0.00 0.99 -1.06 -0.70 116.97 117.70 2pyl h TYR 165 Ca 0.25 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.87 2pyl h TYR 165 Cb 0.24 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 37.79 2pyl h TYR 165 CO 0.02 0.65 0.08 0.82 -0.00 0.00 0.00 178.16 179.74 2pyl h ILE 166 N 0.43 1.17 -0.70 -2.88 2.04 -1.20 -1.46 117.51 114.91 2pyl h ILE 166 Ca 0.11 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2pyl h ILE 166 Cb 0.37 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2pyl h ILE 166 CO 0.01 0.17 0.42 0.50 0.00 0.00 0.00 178.15 179.25 2pyl h LYS 167 N 0.20 0.94 -0.20 2.37 3.64 -1.27 -2.29 116.57 119.97 2pyl h LYS 167 Ca 0.07 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2pyl h LYS 167 Cb 0.19 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2pyl h LYS 167 CO -0.01 0.66 0.03 -0.97 -2.27 0.00 0.00 179.45 176.90 2pyl h ASN 168 N 0.96 0.32 -0.54 4.20 -0.00 -0.88 -1.65 115.58 117.98 2pyl h ASN 168 Ca 0.25 -0.26 0.06 0.00 -0.00 0.00 0.00 56.30 56.35 2pyl h ASN 168 Cb -0.04 -0.09 -0.05 0.00 -0.00 0.00 0.00 38.32 38.15 2pyl h ASN 168 CO -0.05 0.50 0.26 0.44 -0.00 0.00 0.00 177.43 178.58 2pyl h ASP 169 N 0.13 0.35 0.44 1.15 3.32 -1.04 -0.38 116.42 120.38 2pyl h ASP 169 Ca 0.06 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 2pyl h ASP 169 Cb 0.32 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2pyl h ASP 169 CO 0.00 0.23 -0.71 0.16 -1.72 0.00 0.00 179.24 177.20 2pyl h ILE 170 N 0.49 1.43 -0.07 0.35 3.07 -1.42 -3.06 117.51 118.30 2pyl h ILE 170 Ca 0.25 -2.23 -0.17 0.00 1.55 0.00 0.00 64.86 64.25 2pyl h ILE 170 Cb 0.19 2.18 -0.01 0.00 -0.27 0.00 0.00 36.82 38.92 2pyl h ILE 170 CO -0.19 0.66 -0.70 -0.61 -1.05 0.00 0.00 178.15 176.25 2pyl h GLN 171 N 0.16 0.34 0.03 0.16 4.15 -1.07 -1.76 115.11 117.12 2pyl h GLN 171 Ca -0.02 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.12 2pyl h GLN 171 Cb 1.27 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.02 2pyl h GLN 171 CO 0.11 0.91 -0.01 0.82 -1.93 0.00 0.00 178.83 178.73 2pyl h ILE 172 N 0.24 1.04 -0.68 2.39 2.04 -1.08 -0.23 117.51 121.23 2pyl h ILE 172 Ca -0.02 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 2pyl h ILE 172 Cb 1.26 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 2pyl h ILE 172 CO 0.12 0.05 0.19 0.40 0.00 0.00 0.00 178.15 178.91 2pyl h ILE 173 N -0.13 1.26 -0.34 -0.67 1.08 -1.55 -1.30 117.51 115.85 2pyl h ILE 173 Ca -0.00 -0.91 0.06 0.00 -0.39 0.00 0.00 64.86 63.61 2pyl h ILE 173 Cb 0.12 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.37 2pyl h ILE 173 CO 0.01 0.35 0.03 0.00 -0.69 0.00 0.00 178.15 177.85 2pyl h ALA 174 N 1.08 0.33 -0.31 1.87 0.00 -1.10 0.92 119.26 122.06 2pyl h ALA 174 Ca 0.22 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2pyl h ALA 174 Cb 0.33 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2pyl h ALA 174 CO -0.00 -0.37 -0.13 0.93 0.00 0.00 0.00 179.25 179.67 2pyl h GLU 175 N 0.14 0.64 -0.47 0.00 5.08 -0.82 -1.56 114.58 117.59 2pyl h GLU 175 Ca 0.16 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2pyl h GLU 175 Cb 0.21 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2pyl h GLU 175 CO -0.25 0.85 0.01 0.00 -1.00 0.00 0.00 179.01 178.63 2pyl h ALA 176 N 0.77 0.63 -0.60 3.43 0.00 -1.08 -1.75 119.26 120.66 2pyl h ALA 176 Ca 0.07 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2pyl h ALA 176 Cb 0.65 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2pyl h ALA 176 CO 0.04 0.42 0.07 -0.07 0.00 0.00 0.00 179.25 179.71 2pyl h LEU 177 N 0.68 0.95 -0.81 0.00 3.38 -0.81 -2.67 115.31 116.03 2pyl h LEU 177 Ca 0.13 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 2pyl h LEU 177 Cb 0.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2pyl h LEU 177 CO 0.02 0.96 -0.14 0.25 0.09 0.00 0.00 178.44 179.62 2pyl h LEU 178 N 0.92 0.74 -0.60 1.67 5.85 -1.12 -0.97 115.31 121.80 2pyl h LEU 178 Ca 0.18 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2pyl h LEU 178 Cb 0.44 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2pyl h LEU 178 CO 0.01 0.89 0.35 0.40 -0.34 0.00 0.00 178.44 179.75 2pyl h ILE 179 N 0.67 1.02 -0.03 4.05 2.04 -1.02 -1.98 117.51 122.26 2pyl h ILE 179 Ca 0.11 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2pyl h ILE 179 Cb 0.62 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2pyl h ILE 179 CO 0.04 0.12 -0.02 1.56 0.00 0.00 0.00 178.15 179.86 2pyl h GLN 180 N 0.67 0.06 -0.90 2.37 1.08 -1.28 -3.25 115.11 113.85 2pyl h GLN 180 Ca 0.25 -0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.56 2pyl h GLN 180 Cb 0.09 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.43 2pyl h GLN 180 CO -0.14 0.47 0.52 0.74 -0.95 0.00 0.00 178.83 179.47 2pyl h PHE 181 N -0.36 0.92 0.00 2.96 0.05 -1.08 -1.70 116.94 117.73 2pyl h PHE 181 Ca 0.01 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.83 2pyl h PHE 181 Cb 0.46 -0.28 0.00 0.00 2.00 0.00 0.00 35.95 38.13 2pyl h PHE 181 CO 0.08 0.30 0.00 1.63 -0.18 0.00 0.00 178.31 180.13 2pyl n LYS 182 N -4.76 0.04 0.00 1.51 4.76 -0.75 -1.62 118.16 117.34 2pyl n LYS 182 Ca 0.17 0.26 0.12 0.00 -2.87 0.00 0.00 58.31 55.99 2pyl n LYS 182 Cb 0.39 -1.58 0.21 0.00 -1.84 0.00 0.00 35.03 32.21 2pyl n LYS 182 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2pyl n GLN 183 N -1.65 0.32 -0.14 1.97 6.02 -0.68 -4.95 117.38 118.26 2pyl n GLN 183 Ca 0.04 -0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2pyl n GLN 183 Cb 0.20 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2pyl n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pyl n GLY 184 N 1.45 0.81 2.79 1.08 0.00 -0.64 -5.00 105.19 105.69 2pyl n GLY 184 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2pyl n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pyl n LEU 185 N 0.00 6.87 -0.56 0.99 4.77 -0.97 -4.68 117.00 123.43 2pyl n LEU 185 Ca 0.00 -4.57 0.06 0.00 -0.03 0.00 0.00 56.01 51.48 2pyl n LEU 185 Cb 0.00 -1.50 0.08 0.00 -2.33 0.00 0.00 43.42 39.67 2pyl n LEU 185 CO 0.00 1.41 0.50 -0.90 -1.33 0.00 0.00 177.39 177.06 2pyl n ASP 186 N 4.09 2.30 -3.52 -1.43 5.68 -1.26 -3.82 116.55 118.58 2pyl n ASP 186 Ca 0.45 -1.64 -0.24 0.00 -0.50 0.00 0.00 54.79 52.85 2pyl n ASP 186 Cb 0.35 -0.07 0.18 0.00 -1.14 0.00 0.00 41.12 40.44 2pyl n ASP 186 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2pyl n ARG 187 N 0.69 -1.40 -0.16 0.11 1.74 -1.26 -4.97 116.66 111.40 2pyl n ARG 187 Ca 0.09 -1.63 -0.05 0.00 -0.77 0.00 0.00 57.85 55.48 2pyl n ARG 187 Cb 0.35 -1.17 0.13 0.00 -1.02 0.00 0.00 32.46 30.75 2pyl n ARG 187 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 2pyl h MET 188 N 0.00 0.91 -4.55 5.56 -1.53 -1.95 -3.46 114.93 109.90 2pyl h MET 188 Ca -0.35 -0.23 -0.22 0.00 -3.44 0.00 0.00 59.70 55.45 2pyl h MET 188 Cb 0.98 -0.11 -0.15 0.00 -0.55 0.00 0.00 31.60 31.77 2pyl h MET 188 CO 0.24 0.86 -0.63 0.95 0.14 0.00 0.00 176.91 178.47 2pyl s THR 189 N -5.10 0.10 0.24 -0.77 -4.23 -1.26 -4.49 115.64 100.13 2pyl s THR 189 Ca -0.10 -1.96 -0.03 0.00 -1.18 0.00 0.00 61.69 58.42 2pyl s THR 189 Cb 0.15 -2.30 0.06 0.00 1.34 0.00 0.00 72.50 71.75 2pyl s THR 189 CO 0.82 -0.21 1.68 0.00 -0.54 0.00 0.00 174.62 176.36 2pyl h ALA 190 N 2.71 0.97 -0.27 3.99 0.00 -1.68 -2.64 119.26 122.34 2pyl h ALA 190 Ca -0.36 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.07 2pyl h ALA 190 Cb 1.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2pyl h ALA 190 CO 0.56 0.61 -0.42 0.78 0.00 0.00 0.00 179.25 180.78 2pyl h GLY 191 N 0.98 0.72 1.00 0.00 0.00 -1.90 -2.44 103.07 101.43 2pyl h GLY 191 Ca 0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 2pyl h GLY 191 CO 0.05 0.67 0.28 0.23 0.00 0.00 0.00 176.54 177.76 2pyl h SER 192 N 0.54 0.85 -0.08 0.19 0.87 -1.92 -1.96 113.55 112.03 2pyl h SER 192 Ca 0.04 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 2pyl h SER 192 Cb 0.95 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2pyl h SER 192 CO 0.09 0.76 -0.01 0.44 -0.53 0.00 0.00 176.83 177.58 2pyl h ASP 193 N 0.88 0.24 0.02 6.23 3.32 -1.38 -1.55 116.42 124.17 2pyl h ASP 193 Ca 0.21 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2pyl h ASP 193 Cb 0.16 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2pyl h ASP 193 CO -0.02 0.30 -0.01 -1.28 -1.72 0.00 0.00 179.24 176.50 2pyl h SER 194 N 0.26 -0.02 -0.67 6.45 0.87 -0.99 0.11 113.55 119.55 2pyl h SER 194 Ca 0.06 -0.43 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 2pyl h SER 194 Cb 0.20 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 2pyl h SER 194 CO 0.01 0.42 0.28 0.25 -0.53 0.00 0.00 176.83 177.26 2pyl h LEU 195 N -0.47 0.92 -0.73 2.23 5.85 -1.34 -0.81 115.31 120.96 2pyl h LEU 195 Ca -0.00 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2pyl h LEU 195 Cb 0.45 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2pyl h LEU 195 CO 0.00 0.83 0.23 0.50 -0.34 0.00 0.00 178.44 179.67 2pyl h LYS 196 N 0.95 1.14 -0.35 1.25 3.64 -1.28 -1.46 116.57 120.47 2pyl h LYS 196 Ca 0.23 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2pyl h LYS 196 Cb 0.19 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2pyl h LYS 196 CO -0.02 0.97 -0.10 0.78 -2.27 0.00 0.00 179.45 178.81 2pyl h GLY 197 N 1.09 0.64 0.93 5.01 0.00 -0.53 -1.91 103.07 108.29 2pyl h GLY 197 Ca 0.24 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 2pyl h GLY 197 CO -0.01 0.41 -0.16 -2.75 0.00 0.00 0.00 176.54 174.03 2pyl h PHE 198 N 0.55 0.75 -0.02 5.60 3.57 -0.89 -3.05 116.94 123.45 2pyl h PHE 198 Ca 0.10 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 2pyl h PHE 198 Cb 0.50 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2pyl h PHE 198 CO 0.02 0.88 -0.17 0.87 -2.23 0.00 0.00 178.31 177.68 2pyl h LYS 199 N 0.41 0.03 -0.69 1.11 1.57 -1.11 -2.29 116.57 115.61 2pyl h LYS 199 Ca 0.07 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2pyl h LYS 199 Cb 0.69 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 2pyl h LYS 199 CO 0.05 0.20 0.21 -0.44 -0.57 0.00 0.00 179.45 178.90 2pyl h ASP 200 N 0.03 0.98 0.37 0.86 3.32 -1.26 -0.82 116.42 119.90 2pyl h ASP 200 Ca 0.00 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 2pyl h ASP 200 Cb 0.32 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2pyl h ASP 200 CO 0.02 0.92 -0.18 0.40 -1.72 0.00 0.00 179.24 178.68 2pyl h ILE 201 N 1.02 0.15 0.00 0.35 2.04 -1.32 -3.33 117.51 116.42 2pyl h ILE 201 Ca 0.22 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2pyl h ILE 201 Cb 0.29 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2pyl h ILE 201 CO -0.01 0.04 0.00 2.30 0.00 0.00 0.00 178.15 180.48 2pyl n ILE 202 N -5.11 0.52 0.00 -0.67 -5.35 -0.95 -5.02 119.36 102.78 2pyl n ILE 202 Ca -0.07 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 2pyl n ILE 202 Cb 0.23 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.41 2pyl n ILE 202 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2pyl n THR 203 N -1.96 -0.71 -0.21 7.28 -1.04 -0.32 -4.33 114.28 112.99 2pyl n THR 203 Ca 0.05 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.00 2pyl n THR 203 Cb 0.34 -0.03 0.08 0.00 -1.82 0.00 0.00 70.33 68.91 2pyl n THR 203 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2pyl h THR 204 N 0.00 1.26 -0.45 12.58 2.02 -1.88 -0.67 112.91 125.76 2pyl h THR 204 Ca 0.00 -0.99 0.09 0.00 0.77 0.00 0.00 66.41 66.28 2pyl h THR 204 Cb 0.00 0.65 -0.09 0.00 -1.74 0.00 0.00 68.15 66.96 2pyl h THR 204 CO 0.00 0.37 -0.19 0.50 0.37 0.00 0.00 175.52 176.57 2pyl h LYS 205 N 0.97 -0.09 0.00 6.66 3.64 -1.91 -1.81 116.57 124.02 2pyl h LYS 205 Ca 0.20 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 2pyl h LYS 205 Cb 0.41 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2pyl h LYS 205 CO 0.01 -0.06 -0.34 -0.22 -2.27 0.00 0.00 179.45 176.56 2pyl h LYS 206 N -0.10 0.00 0.15 1.90 3.64 -1.70 -3.23 116.57 117.24 2pyl h LYS 206 Ca 0.22 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2pyl h LYS 206 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2pyl h LYS 206 CO -0.52 0.34 -0.07 0.35 -2.27 0.00 0.00 179.45 177.28 2pyl h PHE 207 N 0.00 -0.19 0.00 1.91 3.57 -0.27 -1.81 116.94 120.14 2pyl h PHE 207 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2pyl h PHE 207 Cb 1.03 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2pyl h PHE 207 CO 0.00 0.06 0.00 0.36 -2.23 0.00 0.00 178.31 176.50 2pyl n LYS 208 N -5.08 0.02 0.06 1.11 2.85 -0.98 0.15 118.16 116.29 2pyl n LYS 208 Ca -0.09 0.02 -0.21 0.00 -1.05 0.00 0.00 58.31 56.97 2pyl n LYS 208 Cb 0.19 -1.52 -0.15 0.00 -0.65 0.00 0.00 35.03 32.90 2pyl n LYS 208 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2pyl h LYS 209 N 0.00 0.34 0.03 -1.58 3.11 -1.57 -3.28 116.57 113.63 2pyl h LYS 209 Ca 0.00 -0.59 -0.27 0.00 -2.81 0.00 0.00 60.65 56.99 2pyl h LYS 209 Cb 0.51 0.22 -0.03 0.00 -1.00 0.00 0.00 32.23 31.93 2pyl h LYS 209 CO 0.00 1.28 -1.40 0.28 -2.81 0.00 0.00 179.45 176.80 2pyl h VAL 210 N -0.23 1.25 -2.29 2.00 2.07 -1.21 -3.40 116.25 114.45 2pyl h VAL 210 Ca -0.21 -3.00 -0.59 0.00 0.82 0.00 0.00 66.70 63.72 2pyl h VAL 210 Cb 1.80 2.67 -0.41 0.00 -1.52 0.00 0.00 31.29 33.83 2pyl h VAL 210 CO 0.16 0.76 -0.70 0.49 0.02 0.00 0.00 177.57 178.30 2pyl n PHE 211 N -3.27 2.67 -2.00 1.57 0.99 0.12 -0.18 117.46 117.35 2pyl n PHE 211 Ca -0.10 -4.03 -0.35 0.00 -0.00 0.00 0.00 57.45 52.96 2pyl n PHE 211 Cb 1.01 -0.50 0.03 0.00 -1.00 0.00 0.00 39.48 39.02 2pyl n PHE 211 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2pyl s PRO 212 N -1.99 3.00 -0.15 -1.08 0.04 -1.24 -4.51 135.00 129.08 2pyl s PRO 212 Ca 0.37 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 2pyl s PRO 212 Cb 0.12 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2pyl s PRO 212 CO -0.06 -1.14 1.31 0.99 0.04 0.00 0.00 177.00 178.14 2pyl s THR 213 N -1.83 4.19 0.36 1.26 2.01 -1.26 -4.84 115.64 115.53 2pyl s THR 213 Ca 0.74 1.44 -0.08 0.00 0.31 0.00 0.00 61.69 64.10 2pyl s THR 213 Cb -0.26 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 2pyl s THR 213 CO 0.33 -0.12 0.68 -0.76 -0.69 0.00 0.00 174.62 174.06 2pyl s LEU 214 N 3.49 3.91 0.71 4.42 1.43 -1.26 -5.04 118.68 126.33 2pyl s LEU 214 Ca 0.57 0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.44 2pyl s LEU 214 Cb -0.23 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.19 2pyl s LEU 214 CO 0.17 -0.33 0.90 -1.54 0.23 0.00 0.00 176.35 175.78 2pyl n SER 215 N -1.25 0.25 -0.35 2.29 3.41 -1.26 -4.63 113.62 112.08 2pyl n SER 215 Ca 0.00 0.67 0.04 0.00 -0.26 0.00 0.00 58.87 59.32 2pyl n SER 215 Cb 0.54 -1.37 0.20 0.00 -0.26 0.00 0.00 64.21 63.32 2pyl n SER 215 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2pyl h LEU 216 N -0.19 0.99 -0.21 1.04 3.38 -1.98 -1.93 115.31 116.42 2pyl h LEU 216 Ca -0.47 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 2pyl h LEU 216 Cb 1.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2pyl h LEU 216 CO 0.47 0.62 -0.06 1.23 0.09 0.00 0.00 178.44 180.78 2pyl h GLY 217 N 1.11 0.44 0.99 0.83 0.00 -2.00 -1.75 103.07 102.69 2pyl h GLY 217 Ca 0.43 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 2pyl h GLY 217 CO -0.18 0.33 0.33 -2.00 0.00 0.00 0.00 176.54 175.02 2pyl h LEU 218 N 0.12 0.65 -1.38 3.11 5.85 -1.89 -2.53 115.31 119.23 2pyl h LEU 218 Ca 0.05 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2pyl h LEU 218 Cb 0.51 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2pyl h LEU 218 CO 0.02 0.51 0.31 -0.78 -0.34 0.00 0.00 178.44 178.17 2pyl h ASP 219 N 0.73 0.65 -0.77 1.25 1.82 -1.32 -1.53 116.42 117.25 2pyl h ASP 219 Ca 0.19 -0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.74 2pyl h ASP 219 Cb -0.02 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 39.80 2pyl h ASP 219 CO -0.04 0.51 0.26 0.50 -1.61 0.00 0.00 179.24 178.86 2pyl h LYS 220 N 0.74 1.18 0.02 0.28 3.64 -0.91 -1.34 116.57 120.18 2pyl h LYS 220 Ca 0.19 -0.24 -0.25 0.00 -1.27 0.00 0.00 60.65 59.08 2pyl h LYS 220 Cb -0.01 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 2pyl h LYS 220 CO -0.04 0.99 -1.27 1.05 -2.27 0.00 0.00 179.45 177.91 2pyl h GLU 221 N 1.13 0.04 -0.59 1.90 4.11 -1.15 -2.80 114.58 117.23 2pyl h GLU 221 Ca 0.25 -0.07 0.08 0.00 0.07 0.00 0.00 59.36 59.69 2pyl h GLU 221 Cb 0.29 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 2pyl h GLU 221 CO -0.01 0.88 0.24 0.28 0.07 0.00 0.00 179.01 180.47 2pyl h VAL 222 N 0.01 0.81 0.00 -1.06 2.07 -1.29 -2.57 116.25 114.22 2pyl h VAL 222 Ca -0.12 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2pyl h VAL 222 Cb 1.88 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2pyl h VAL 222 CO 0.12 0.08 -0.04 -0.09 0.02 0.00 0.00 177.57 177.66 2pyl h ARG 223 N 0.43 0.00 -0.51 1.57 2.43 -1.01 -1.65 114.38 115.63 2pyl h ARG 223 Ca 0.29 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.59 2pyl h ARG 223 Cb 0.33 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2pyl h ARG 223 CO -0.28 0.04 0.36 1.88 -1.51 0.00 0.00 179.97 180.47 2pyl h TYR 224 N 0.00 0.12 -0.43 2.20 0.99 -1.20 -1.19 116.97 117.45 2pyl h TYR 224 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2pyl h TYR 224 Cb 0.14 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 37.83 2pyl h TYR 224 CO 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 178.16 178.21 2pyl n ALA 225 N -2.60 2.43 -2.63 3.88 0.00 -0.62 -4.63 120.51 116.33 2pyl n ALA 225 Ca 0.09 -0.76 -0.41 0.00 0.00 0.00 0.00 53.44 52.36 2pyl n ALA 225 Cb 0.51 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 2pyl n ALA 225 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2pyl s TYR 226 N -1.42 3.22 0.17 0.00 5.04 -0.45 -4.67 117.35 119.25 2pyl s TYR 226 Ca 0.29 -0.53 0.01 0.00 -2.44 0.00 0.00 57.07 54.41 2pyl s TYR 226 Cb 0.15 -2.48 -0.05 0.00 0.35 0.00 0.00 41.96 39.94 2pyl s TYR 226 CO 0.20 -0.50 0.02 1.03 -1.34 0.00 0.00 175.55 174.96 2pyl s ARG 227 N 1.66 1.11 0.00 4.97 0.52 -1.26 -5.05 118.95 120.89 2pyl s ARG 227 Ca 0.05 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 53.72 2pyl s ARG 227 Cb -0.18 -0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.11 2pyl s ARG 227 CO 0.09 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.65 2pyl n GLY 228 N -0.24 1.71 3.87 -3.53 0.00 -1.26 -4.78 105.19 100.96 2pyl n GLY 228 Ca -0.06 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 2pyl n GLY 228 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pyl s GLY 229 N 0.00 2.28 -0.40 -0.02 0.00 -1.26 -4.90 107.32 103.02 2pyl s GLY 229 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.18 2pyl s GLY 229 CO 0.00 -0.11 1.35 -0.12 0.00 0.00 0.00 173.10 174.22 2pyl s PHE 230 N -1.83 2.52 -0.26 1.90 5.36 -1.26 -4.77 117.98 119.63 2pyl s PHE 230 Ca 0.48 0.72 0.02 0.00 -0.96 0.00 0.00 56.93 57.19 2pyl s PHE 230 Cb -0.11 -4.24 0.07 0.00 -0.34 0.00 0.00 43.02 38.39 2pyl s PHE 230 CO 0.21 -1.83 -0.07 0.99 -1.46 0.00 0.00 175.22 173.06 2pyl s THR 231 N 5.07 1.91 -0.17 0.12 2.01 -1.26 -0.38 115.64 122.95 2pyl s THR 231 Ca 0.58 -1.56 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 2pyl s THR 231 Cb -0.13 -2.13 0.07 0.00 0.01 0.00 0.00 72.50 70.32 2pyl s THR 231 CO 0.30 -0.14 0.38 0.86 -0.69 0.00 0.00 174.62 175.33 2pyl s TRP 232 N 1.20 -0.64 -0.33 4.92 -0.00 -0.11 -4.98 118.94 119.00 2pyl s TRP 232 Ca -0.05 1.31 -0.09 0.00 -0.00 0.00 0.00 56.10 57.26 2pyl s TRP 232 Cb -0.19 0.21 0.01 0.00 -0.00 0.00 0.00 33.47 33.50 2pyl s TRP 232 CO -0.06 -0.40 0.15 -1.17 -0.00 0.00 0.00 176.95 175.47 2pyl s LEU 233 N 2.16 4.26 -0.27 5.86 2.96 -1.26 -1.31 118.68 131.09 2pyl s LEU 233 Ca -0.04 -0.74 -0.39 0.00 -0.22 0.00 0.00 54.13 52.74 2pyl s LEU 233 Cb -0.11 -1.98 -0.15 0.00 0.50 0.00 0.00 46.19 44.45 2pyl s LEU 233 CO -0.12 -0.26 1.81 -3.20 -1.32 0.00 0.00 176.35 173.26 2pyl n ASN 234 N 4.96 2.46 0.23 3.68 2.85 -0.77 -4.85 115.26 123.82 2pyl n ASN 234 Ca -0.13 1.00 0.14 0.00 -0.11 0.00 0.00 54.58 55.48 2pyl n ASN 234 Cb 0.48 -1.17 0.78 0.00 1.24 0.00 0.00 39.78 41.11 2pyl n ASN 234 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2pyl h ASP 235 N 7.90 0.00 -0.97 1.20 3.32 -1.97 -1.43 116.42 124.47 2pyl h ASP 235 Ca -0.44 0.00 0.21 0.00 0.02 0.00 0.00 57.03 56.81 2pyl h ASP 235 Cb 1.32 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.78 2pyl h ASP 235 CO 0.97 0.00 0.62 -0.09 -1.72 0.00 0.00 179.24 179.02 2pyl h ARG 236 N 0.00 0.56 -0.02 3.56 2.43 -1.96 -2.81 114.38 116.14 2pyl h ARG 236 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2pyl h ARG 236 Cb 0.22 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2pyl h ARG 236 CO -0.00 0.37 -0.37 1.19 -1.51 0.00 0.00 179.97 179.64 2pyl n PHE 237 N -4.64 0.00 -1.68 2.20 3.01 -0.54 -4.95 117.46 110.86 2pyl n PHE 237 Ca 0.22 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.21 2pyl n PHE 237 Cb 0.67 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.10 2pyl n PHE 237 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2pyl n LYS 238 N 0.20 2.36 -1.34 -1.08 4.81 -1.06 -1.99 118.16 120.05 2pyl n LYS 238 Ca 0.10 0.86 -0.12 0.00 -0.87 0.00 0.00 58.31 58.28 2pyl n LYS 238 Cb 0.47 -2.73 -0.05 0.00 0.02 0.00 0.00 35.03 32.74 2pyl n LYS 238 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2pyl n GLU 239 N 6.69 -0.91 -4.33 1.64 1.02 0.81 -4.99 120.64 120.58 2pyl n GLU 239 Ca 0.22 0.90 -0.35 0.00 -0.02 0.00 0.00 57.16 57.91 2pyl n GLU 239 Cb 0.32 -4.93 -0.10 0.00 -0.02 0.00 0.00 31.44 26.71 2pyl n GLU 239 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2pyl s LYS 240 N -2.94 3.20 -0.03 3.49 1.02 -0.84 -4.97 119.74 118.66 2pyl s LYS 240 Ca 0.00 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 2pyl s LYS 240 Cb 0.00 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 2pyl s LYS 240 CO 0.00 0.60 1.17 -2.00 -0.92 0.00 0.00 175.35 174.20 2pyl s GLU 241 N -0.58 4.38 0.29 1.68 2.12 -1.26 -4.24 118.70 121.09 2pyl s GLU 241 Ca 0.10 1.65 0.09 0.00 0.36 0.00 0.00 54.97 57.17 2pyl s GLU 241 Cb -0.12 -3.51 -0.06 0.00 0.26 0.00 0.00 34.13 30.70 2pyl s GLU 241 CO 0.02 -0.38 -0.10 0.96 -0.54 0.00 0.00 175.26 175.22 2pyl s ILE 242 N 1.91 1.98 0.00 -3.70 -4.36 0.42 -4.98 121.20 112.47 2pyl s ILE 242 Ca 0.56 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 2pyl s ILE 242 Cb -0.25 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.03 2pyl s ILE 242 CO 0.23 -0.32 0.00 0.61 0.24 0.00 0.00 174.94 175.70 2pyl n GLY 243 N -0.63 1.12 3.77 6.27 0.00 -1.26 -1.32 105.19 113.14 2pyl n GLY 243 Ca -0.06 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 2pyl n GLY 243 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pyl s GLU 244 N 1.13 3.92 0.22 1.61 2.02 -1.01 -3.90 118.70 122.69 2pyl s GLU 244 Ca 0.00 1.96 -0.10 0.00 0.02 0.00 0.00 54.97 56.85 2pyl s GLU 244 Cb 0.00 -2.64 0.04 0.00 0.10 0.00 0.00 34.13 31.63 2pyl s GLU 244 CO 0.00 -0.47 0.51 0.41 0.02 0.00 0.00 175.26 175.73 2pyl n GLY 245 N 0.63 1.27 3.19 -1.39 0.00 -0.97 -0.88 105.19 107.04 2pyl n GLY 245 Ca 0.05 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 2pyl n GLY 245 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2pyl s MET 246 N -2.05 0.71 -0.11 1.61 0.23 -0.15 -0.73 119.30 118.81 2pyl s MET 246 Ca 0.11 -0.63 0.04 0.00 -1.03 0.00 0.00 55.69 54.17 2pyl s MET 246 Cb -0.03 0.30 0.00 0.00 -1.53 0.00 0.00 34.83 33.57 2pyl s MET 246 CO 0.07 -0.21 -0.23 0.08 -2.03 0.00 0.00 175.02 172.70 2pyl s VAL 247 N -2.61 2.12 -0.10 5.16 1.01 -0.57 -0.34 120.40 125.06 2pyl s VAL 247 Ca -0.05 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 2pyl s VAL 247 Cb -0.01 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2pyl s VAL 247 CO -0.04 0.56 -0.03 -0.36 0.00 0.00 0.00 175.10 175.22 2pyl s PHE 248 N 0.40 3.04 -0.08 5.22 0.40 0.05 -0.60 117.98 126.41 2pyl s PHE 248 Ca -0.17 -0.03 -0.00 0.00 -0.60 0.00 0.00 56.93 56.13 2pyl s PHE 248 Cb -0.18 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.55 2pyl s PHE 248 CO 0.07 0.25 -0.05 0.34 0.70 0.00 0.00 175.22 176.53 2pyl s ASP 249 N -0.42 1.70 0.30 1.36 2.15 0.12 -1.21 116.67 120.66 2pyl s ASP 249 Ca 0.07 -0.20 -0.29 0.00 0.43 0.00 0.00 52.55 52.56 2pyl s ASP 249 Cb -0.12 -0.64 -0.10 0.00 -0.30 0.00 0.00 42.92 41.76 2pyl s ASP 249 CO 0.02 -0.11 1.38 -0.69 -0.17 0.00 0.00 175.17 175.61 2pyl s VAL 250 N 1.50 2.63 -0.66 1.11 1.01 0.92 -0.53 120.40 126.39 2pyl s VAL 250 Ca -0.01 0.58 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 2pyl s VAL 250 Cb -0.13 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2pyl s VAL 250 CO -0.04 0.12 1.45 0.20 0.00 0.00 0.00 175.10 176.83 2pyl s ASN 251 N -0.06 5.95 -0.58 3.32 0.01 -0.04 -4.26 114.94 119.29 2pyl s ASN 251 Ca 0.54 -0.05 -0.15 0.00 -0.71 0.00 0.00 52.86 52.49 2pyl s ASN 251 Cb -0.41 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 38.72 2pyl s ASN 251 CO 0.49 -1.92 0.64 -1.20 -1.51 0.00 0.00 177.10 173.61 2pyl n SER 252 N 10.19 -6.74 -0.02 -1.22 7.64 -1.26 -1.11 113.62 121.10 2pyl n SER 252 Ca 0.10 -0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.80 2pyl n SER 252 Cb 0.50 -3.77 -0.07 0.00 -1.01 0.00 0.00 64.21 59.86 2pyl n SER 252 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2pyl h LEU 253 N 1.22 0.12 -0.02 -3.43 5.85 -1.96 -0.97 115.31 116.13 2pyl h LEU 253 Ca -0.26 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 2pyl h LEU 253 Cb 1.18 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2pyl h LEU 253 CO 0.26 0.35 -0.01 1.88 -0.34 0.00 0.00 178.44 180.58 2pyl h TYR 254 N -0.11 0.05 -0.73 1.25 0.99 -1.92 -2.48 116.97 114.01 2pyl h TYR 254 Ca 0.02 -0.01 0.13 0.00 2.00 0.00 0.00 58.73 60.88 2pyl h TYR 254 Cb 0.28 -0.01 -0.05 0.00 1.00 0.00 0.00 36.73 37.95 2pyl h TYR 254 CO 0.01 0.47 0.49 -1.35 -0.00 0.00 0.00 178.16 177.78 2pyl h PRO 255 N -0.39 0.43 -0.87 4.88 0.11 -1.88 -1.52 132.00 132.76 2pyl h PRO 255 Ca 0.00 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.12 2pyl h PRO 255 Cb 0.46 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.42 2pyl h PRO 255 CO 0.00 0.29 0.56 0.00 -0.21 0.00 0.00 178.00 178.64 2pyl h ALA 256 N 1.65 1.14 -0.26 -0.75 0.00 -0.93 0.48 119.26 120.59 2pyl h ALA 256 Ca 0.35 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2pyl h ALA 256 Cb 0.76 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2pyl h ALA 256 CO -0.11 0.41 -0.06 1.96 0.00 0.00 0.00 179.25 181.44 2pyl h GLN 257 N 1.09 0.51 -0.80 0.00 1.08 -0.85 -2.93 115.11 113.20 2pyl h GLN 257 Ca 0.34 -0.20 0.11 0.00 -1.45 0.00 0.00 58.65 57.46 2pyl h GLN 257 Cb 0.00 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.35 2pyl h GLN 257 CO -0.12 0.72 0.52 0.52 -0.95 0.00 0.00 178.83 179.53 2pyl h MET 258 N 0.26 0.66 -0.27 1.46 2.86 -1.02 -0.73 114.93 118.15 2pyl h MET 258 Ca 0.07 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.48 2pyl h MET 258 Cb 0.54 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2pyl h MET 258 CO 0.03 0.44 -0.56 -0.92 1.06 0.00 0.00 176.91 176.95 2pyl h TYR 259 N 0.68 1.05 0.00 -0.22 5.03 -0.73 -3.40 116.97 119.38 2pyl h TYR 259 Ca 0.38 -0.38 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2pyl h TYR 259 Cb 0.54 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.63 2pyl h TYR 259 CO -0.00 1.20 -0.38 -1.13 -1.32 0.00 0.00 178.16 176.53 2pyl n SER 260 N -4.00 1.88 -4.81 -2.11 3.41 -1.13 -4.20 113.62 102.67 2pyl n SER 260 Ca -0.04 -0.06 -0.34 0.00 -0.26 0.00 0.00 58.87 58.17 2pyl n SER 260 Cb 0.63 0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 65.03 2pyl n SER 260 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2pyl s ARG 261 N -0.87 3.94 0.02 4.33 1.81 -0.30 -4.86 118.95 123.02 2pyl s ARG 261 Ca 0.00 1.26 -0.30 0.00 -1.72 0.00 0.00 55.73 54.96 2pyl s ARG 261 Cb 0.00 -2.12 -0.06 0.00 -0.45 0.00 0.00 34.95 32.31 2pyl s ARG 261 CO 0.00 -0.30 1.53 -1.17 -0.68 0.00 0.00 175.30 174.68 2pyl s LEU 262 N -3.44 4.33 0.03 2.53 2.96 -1.26 -4.58 118.68 119.25 2pyl s LEU 262 Ca 0.65 2.27 0.02 0.00 -0.22 0.00 0.00 54.13 56.84 2pyl s LEU 262 Cb -0.13 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 2pyl s LEU 262 CO 0.18 -0.81 -0.06 -0.76 -1.32 0.00 0.00 176.35 173.58 2pyl s LEU 263 N 2.75 2.20 0.48 -0.68 1.43 -0.41 -4.91 118.68 119.54 2pyl s LEU 263 Ca 0.69 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 53.14 2pyl s LEU 263 Cb -0.35 -0.14 -0.09 0.00 0.03 0.00 0.00 46.19 45.65 2pyl s LEU 263 CO 0.29 -0.16 1.04 -2.16 0.23 0.00 0.00 176.35 175.59 2pyl s PRO 264 N -1.25 3.83 0.17 1.29 0.04 -1.26 -1.71 135.00 136.12 2pyl s PRO 264 Ca -0.08 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 62.25 2pyl s PRO 264 Cb -0.08 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 2pyl s PRO 264 CO 0.00 -0.41 0.29 1.52 0.04 0.00 0.00 177.00 178.44 2pyl s TYR 265 N -1.95 0.46 0.00 0.56 -0.85 -0.69 -4.69 117.35 110.18 2pyl s TYR 265 Ca 0.66 -0.81 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 2pyl s TYR 265 Cb -0.17 -0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.09 2pyl s TYR 265 CO 0.20 -0.73 0.00 0.41 -1.52 0.00 0.00 175.55 173.91 2pyl n GLY 266 N -0.23 -1.82 3.74 5.49 0.00 0.75 -3.67 105.19 109.46 2pyl n GLY 266 Ca -0.06 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 2pyl n GLY 266 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pyl s GLU 267 N 0.00 4.61 0.67 1.61 0.41 -1.26 -4.65 118.70 120.09 2pyl s GLU 267 Ca 0.00 1.25 -0.12 0.00 -0.41 0.00 0.00 54.97 55.70 2pyl s GLU 267 Cb 0.00 -3.35 -0.00 0.00 -1.78 0.00 0.00 34.13 29.00 2pyl s GLU 267 CO 0.00 0.31 1.06 -1.25 -0.49 0.00 0.00 175.26 174.89 2pyl s PRO 268 N -0.27 3.04 -0.16 0.39 0.04 -1.26 -4.68 135.00 132.11 2pyl s PRO 268 Ca 0.41 0.98 -0.03 0.00 0.04 0.00 0.00 61.00 62.41 2pyl s PRO 268 Cb -0.22 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2pyl s PRO 268 CO 0.27 -1.02 -0.05 0.42 0.04 0.00 0.00 177.00 176.66 2pyl s ILE 269 N -2.95 3.70 0.30 0.56 1.01 -0.67 -4.94 121.20 118.21 2pyl s ILE 269 Ca 0.59 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.53 2pyl s ILE 269 Cb -0.14 -2.62 -0.10 0.00 0.01 0.00 0.00 42.46 39.61 2pyl s ILE 269 CO 0.52 0.49 1.18 -0.69 0.00 0.00 0.00 174.94 176.44 2pyl s VAL 270 N 0.48 3.18 0.11 2.92 1.01 -1.26 -1.43 120.40 125.41 2pyl s VAL 270 Ca -0.04 1.19 0.03 0.00 0.00 0.00 0.00 61.98 63.16 2pyl s VAL 270 Cb -0.15 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2pyl s VAL 270 CO 0.03 0.28 -0.09 0.72 0.00 0.00 0.00 175.10 176.04 2pyl s PHE 271 N -1.16 1.06 0.10 5.22 -0.12 -0.59 -4.95 117.98 117.55 2pyl s PHE 271 Ca 0.46 -0.75 0.05 0.00 -0.05 0.00 0.00 56.93 56.64 2pyl s PHE 271 Cb -0.35 -0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 41.43 2pyl s PHE 271 CO 0.46 -0.02 0.03 -1.21 -0.05 0.00 0.00 175.22 174.43 2pyl s GLU 272 N -3.29 2.64 4.70 1.99 0.41 -1.26 -1.83 118.70 122.06 2pyl s GLU 272 Ca 0.10 -0.84 0.00 0.00 -0.41 0.00 0.00 54.97 53.82 2pyl s GLU 272 Cb 0.01 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 2pyl s GLU 272 CO -0.01 0.53 0.00 0.41 -0.49 0.00 0.00 175.26 175.70 2pyl n GLY 273 N 0.37 1.60 3.69 -1.39 0.00 -0.18 -4.75 105.19 104.53 2pyl n GLY 273 Ca -0.10 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2pyl n GLY 273 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pyl s LYS 274 N 0.00 4.44 0.14 1.61 2.20 -1.26 -3.86 119.74 123.02 2pyl s LYS 274 Ca 0.00 1.30 -0.35 0.00 -0.36 0.00 0.00 55.97 56.56 2pyl s LYS 274 Cb 0.00 -3.51 -0.15 0.00 -1.51 0.00 0.00 37.83 32.65 2pyl s LYS 274 CO 0.00 -0.20 1.36 0.98 -0.36 0.00 0.00 175.35 177.12 2pyl n TYR 275 N 4.61 1.70 -4.07 4.03 9.36 -1.26 -4.97 117.16 126.55 2pyl n TYR 275 Ca 0.06 0.55 -0.35 0.00 3.32 0.00 0.00 57.90 61.48 2pyl n TYR 275 Cb 0.50 -2.38 -0.09 0.00 -0.63 0.00 0.00 39.34 36.73 2pyl n TYR 275 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2pyl s VAL 276 N 0.35 4.74 0.05 2.97 1.01 -1.26 -5.04 120.40 123.23 2pyl s VAL 276 Ca 0.79 -0.06 -0.35 0.00 0.00 0.00 0.00 61.98 62.35 2pyl s VAL 276 Cb -0.84 -3.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.29 2pyl s VAL 276 CO 0.46 0.50 1.57 1.87 0.00 0.00 0.00 175.10 179.50 2pyl n TRP 277 N 3.17 2.03 -3.73 5.22 -0.00 -1.26 -4.97 117.44 117.91 2pyl n TRP 277 Ca -0.17 0.37 -0.28 0.00 -0.00 0.00 0.00 57.50 57.41 2pyl n TRP 277 Cb 0.53 -2.49 -0.16 0.00 -0.00 0.00 0.00 31.31 29.19 2pyl n TRP 277 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2pyl s ASP 278 N 1.54 3.17 0.50 5.87 -1.08 -1.26 -5.03 116.67 120.37 2pyl s ASP 278 Ca 0.85 -1.00 0.17 0.00 -0.52 0.00 0.00 52.55 52.05 2pyl s ASP 278 Cb -0.81 -0.64 1.22 0.00 -1.46 0.00 0.00 42.92 41.23 2pyl s ASP 278 CO 0.46 -0.33 2.07 1.05 0.52 0.00 0.00 175.17 178.93 2pyl h GLU 279 N 8.22 0.13 0.00 4.34 4.11 -1.97 -0.68 114.58 128.73 2pyl h GLU 279 Ca -0.16 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.20 2pyl h GLU 279 Cb 1.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2pyl h GLU 279 CO 0.37 0.08 -0.31 -0.44 0.07 0.00 0.00 179.01 178.78 2pyl h ASP 280 N 0.13 0.00 -2.16 3.06 3.32 -1.96 -3.34 116.42 115.47 2pyl h ASP 280 Ca 0.13 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.60 2pyl h ASP 280 Cb 0.37 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.50 2pyl h ASP 280 CO -0.02 0.31 -0.74 -1.22 -1.72 0.00 0.00 179.24 175.85 2pyl n TYR 281 N -3.18 2.75 0.47 4.55 4.02 -0.33 -4.23 117.16 121.21 2pyl n TYR 281 Ca 0.03 -3.99 0.13 0.00 -0.01 0.00 0.00 57.90 54.06 2pyl n TYR 281 Cb 0.65 -0.50 0.45 0.00 -0.02 0.00 0.00 39.34 39.92 2pyl n TYR 281 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pyl h PRO 282 N 3.80 0.00 -6.12 -0.72 0.13 -1.25 -3.39 132.00 124.45 2pyl h PRO 282 Ca 0.15 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.62 2pyl h PRO 282 Cb 0.69 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.70 2pyl h PRO 282 CO 0.74 0.00 -0.62 -0.51 -0.23 0.00 0.00 178.00 177.38 2pyl s LEU 283 N -4.80 3.63 0.14 1.56 1.43 -1.13 -4.97 118.68 114.54 2pyl s LEU 283 Ca 0.07 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 2pyl s LEU 283 Cb 0.10 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2pyl s LEU 283 CO 0.52 0.27 0.30 -1.38 0.23 0.00 0.00 176.35 176.29 2pyl s HIS 284 N -1.14 0.22 -0.09 0.29 -3.43 -1.26 0.66 115.29 110.54 2pyl s HIS 284 Ca 0.21 -0.59 0.03 0.00 -0.80 0.00 0.00 55.06 53.90 2pyl s HIS 284 Cb -0.12 0.03 -0.01 0.00 -1.43 0.00 0.00 32.58 31.04 2pyl s HIS 284 CO 0.12 -0.70 -0.17 0.42 -2.00 0.00 0.00 174.74 172.41 2pyl s ILE 285 N -3.91 2.71 -0.11 -5.38 1.01 0.14 -1.57 121.20 114.08 2pyl s ILE 285 Ca 0.12 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.98 2pyl s ILE 285 Cb 0.03 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.43 2pyl s ILE 285 CO -0.04 0.56 -0.19 -1.58 0.00 0.00 0.00 174.94 173.68 2pyl s GLN 286 N -0.02 2.62 -0.22 2.79 2.00 0.47 -1.03 119.66 126.26 2pyl s GLN 286 Ca -0.05 -0.72 -0.24 0.00 -2.00 0.00 0.00 55.36 52.35 2pyl s GLN 286 Cb -0.14 -2.12 -0.01 0.00 0.80 0.00 0.00 33.01 31.54 2pyl s GLN 286 CO 0.04 0.01 0.81 -1.58 -0.50 0.00 0.00 175.29 174.08 2pyl s HIS 287 N 0.77 3.34 -0.01 1.67 5.65 0.13 -1.09 115.29 125.74 2pyl s HIS 287 Ca -0.10 1.14 0.03 0.00 0.25 0.00 0.00 55.06 56.38 2pyl s HIS 287 Cb -0.16 -3.02 -0.01 0.00 -1.18 0.00 0.00 32.58 28.22 2pyl s HIS 287 CO 0.01 -0.35 -0.12 -1.50 -0.65 0.00 0.00 174.74 172.13 2pyl s ILE 288 N 2.63 0.93 -0.11 0.89 2.07 0.15 -1.41 121.20 126.36 2pyl s ILE 288 Ca 0.35 -0.49 -0.02 0.00 -1.41 0.00 0.00 60.65 59.08 2pyl s ILE 288 Cb -0.16 -0.79 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 2pyl s ILE 288 CO 0.09 0.27 -0.03 -0.13 -1.91 0.00 0.00 174.94 173.23 2pyl s ARG 289 N -0.16 3.21 0.04 3.50 0.52 0.01 -0.70 118.95 125.36 2pyl s ARG 289 Ca 0.03 -0.48 -0.28 0.00 -0.52 0.00 0.00 55.73 54.47 2pyl s ARG 289 Cb -0.06 -2.80 0.09 0.00 0.52 0.00 0.00 34.95 32.71 2pyl s ARG 289 CO -0.00 0.52 1.03 0.00 0.02 0.00 0.00 175.30 176.86 2pyl s GLU 291 N -2.98 2.75 -0.05 0.00 2.02 0.44 -0.57 118.70 120.31 2pyl s GLU 291 Ca 0.10 -1.05 -0.13 0.00 0.02 0.00 0.00 54.97 53.91 2pyl s GLU 291 Cb -0.00 -2.51 0.03 0.00 0.10 0.00 0.00 34.13 31.75 2pyl s GLU 291 CO -0.03 0.43 0.31 -0.59 0.02 0.00 0.00 175.26 175.41 2pyl s PHE 292 N -1.96 -0.24 -0.07 1.61 -0.12 -1.26 -0.44 117.98 115.49 2pyl s PHE 292 Ca 0.31 0.48 0.01 0.00 -0.05 0.00 0.00 56.93 57.69 2pyl s PHE 292 Cb -0.09 0.10 0.02 0.00 -0.63 0.00 0.00 43.02 42.42 2pyl s PHE 292 CO 0.23 -0.31 -0.10 -1.21 -0.05 0.00 0.00 175.22 173.78 2pyl s GLU 293 N -0.78 1.51 0.29 1.99 0.41 -0.43 -1.88 118.70 119.80 2pyl s GLU 293 Ca -0.09 -0.33 -0.30 0.00 -0.41 0.00 0.00 54.97 53.85 2pyl s GLU 293 Cb -0.04 -1.35 -0.11 0.00 -1.78 0.00 0.00 34.13 30.86 2pyl s GLU 293 CO 0.03 -0.05 1.48 -1.17 -0.49 0.00 0.00 175.26 175.05 2pyl s LEU 294 N 0.93 4.37 0.42 1.80 2.96 0.14 -0.82 118.68 128.48 2pyl s LEU 294 Ca -0.10 2.80 -0.23 0.00 -0.22 0.00 0.00 54.13 56.39 2pyl s LEU 294 Cb -0.15 -3.63 -0.09 0.00 0.50 0.00 0.00 46.19 42.81 2pyl s LEU 294 CO 0.01 -0.77 1.02 -0.54 -1.32 0.00 0.00 176.35 174.75 2pyl s LYS 295 N -0.75 4.10 0.21 1.98 1.02 -0.17 -4.82 119.74 121.31 2pyl s LYS 295 Ca 0.59 1.39 -0.32 0.00 0.02 0.00 0.00 55.97 57.65 2pyl s LYS 295 Cb -0.44 -2.37 -0.13 0.00 -0.52 0.00 0.00 37.83 34.37 2pyl s LYS 295 CO 0.48 -0.18 1.62 -1.91 -0.92 0.00 0.00 175.35 174.45 2pyl n GLU 296 N -0.38 2.47 -0.95 1.68 2.13 -1.26 -2.46 120.64 121.87 2pyl n GLU 296 Ca 0.06 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.77 2pyl n GLU 296 Cb 0.51 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.54 2pyl n GLU 296 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pyl n GLY 297 N 3.35 0.49 3.48 8.31 0.00 -1.26 -5.05 105.19 114.51 2pyl n GLY 297 Ca 0.15 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2pyl n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pyl s TYR 298 N -2.00 2.62 0.18 1.61 1.51 -1.03 -5.04 117.35 115.20 2pyl s TYR 298 Ca 0.00 -0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 55.54 2pyl s TYR 298 Cb 0.00 -1.50 -0.08 0.00 -0.11 0.00 0.00 41.96 40.27 2pyl s TYR 298 CO 0.00 0.26 1.18 0.42 -1.11 0.00 0.00 175.55 176.30 2pyl s ILE 299 N -0.92 3.62 0.22 2.71 1.01 -1.26 -4.87 121.20 121.72 2pyl s ILE 299 Ca 0.15 1.36 -0.30 0.00 0.00 0.00 0.00 60.65 61.86 2pyl s ILE 299 Cb -0.11 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.40 2pyl s ILE 299 CO 0.05 0.22 1.31 -2.16 0.00 0.00 0.00 174.94 174.36 2pyl s PRO 300 N -0.24 4.39 0.00 2.79 0.04 -1.26 -4.94 135.00 135.78 2pyl s PRO 300 Ca 0.52 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2pyl s PRO 300 Cb -0.32 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2pyl s PRO 300 CO 0.36 -0.23 0.42 0.25 0.04 0.00 0.00 177.00 177.85 2pyl n THR 301 N 2.28 0.00 -3.67 1.26 -2.24 -1.26 -4.85 114.28 105.80 2pyl n THR 301 Ca 0.05 -0.44 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 2pyl n THR 301 Cb 0.43 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 69.66 2pyl n THR 301 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2pyl s ILE 302 N -0.04 5.18 -0.12 2.28 1.01 -1.26 -4.98 121.20 123.26 2pyl s ILE 302 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.79 2pyl s ILE 302 Cb 0.00 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 39.05 2pyl s ILE 302 CO 0.00 0.32 -0.20 -1.58 0.00 0.00 0.00 174.94 173.48 2pyl s GLN 303 N 1.34 2.71 -0.21 2.79 0.74 -1.26 -0.33 119.66 125.44 2pyl s GLN 303 Ca 0.07 -0.74 -0.01 0.00 0.05 0.00 0.00 55.36 54.72 2pyl s GLN 303 Cb -0.15 -2.21 0.01 0.00 1.10 0.00 0.00 33.01 31.76 2pyl s GLN 303 CO 0.07 -0.02 -0.11 0.42 -0.55 0.00 0.00 175.29 175.09 2pyl s ILE 304 N 0.85 2.74 0.19 -2.34 1.01 -1.26 -5.07 121.20 117.30 2pyl s ILE 304 Ca -0.08 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.86 2pyl s ILE 304 Cb -0.15 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2pyl s ILE 304 CO -0.01 0.44 0.22 -0.54 0.00 0.00 0.00 174.94 175.05 2pyl s LYS 305 N 1.38 3.14 -1.32 2.79 1.02 -1.26 -4.18 119.74 121.31 2pyl s LYS 305 Ca 0.05 -0.81 -0.07 0.00 0.02 0.00 0.00 55.97 55.16 2pyl s LYS 305 Cb -0.14 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 2pyl s LYS 305 CO -0.08 0.47 1.13 0.54 -0.92 0.00 0.00 175.35 176.50 2pyl n ARG 306 N -0.71 -7.57 -4.71 1.68 1.74 -1.26 -5.01 116.66 100.81 2pyl n ARG 306 Ca -0.08 0.83 -0.23 0.00 -0.77 0.00 0.00 57.85 57.60 2pyl n ARG 306 Cb 0.55 -5.87 -0.15 0.00 -1.02 0.00 0.00 32.46 25.97 2pyl n ARG 306 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2pyl s SER 307 N -3.61 1.78 0.20 0.55 0.15 -1.26 -5.03 113.70 106.47 2pyl s SER 307 Ca 0.42 -0.27 0.25 0.00 0.70 0.00 0.00 55.95 57.05 2pyl s SER 307 Cb -0.19 -0.22 0.89 0.00 -1.71 0.00 0.00 66.02 64.79 2pyl s SER 307 CO 0.73 0.18 1.76 -2.11 1.20 0.00 0.00 173.24 175.01 2pyl n ARG 308 N 2.74 0.21 0.07 5.44 1.85 -1.26 -3.57 116.66 122.15 2pyl n ARG 308 Ca -0.15 0.25 -0.17 0.00 -1.00 0.00 0.00 57.85 56.79 2pyl n ARG 308 Cb 0.55 -1.79 -0.14 0.00 -1.05 0.00 0.00 32.46 30.03 2pyl n ARG 308 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 2pyl h PHE 309 N 0.00 0.48 -4.13 2.89 -1.00 -1.98 -3.47 116.94 109.73 2pyl h PHE 309 Ca 0.00 -0.35 -0.59 0.00 2.81 0.00 0.00 57.97 59.84 2pyl h PHE 309 Cb 0.60 -0.02 -0.25 0.00 3.61 0.00 0.00 35.95 39.89 2pyl h PHE 309 CO 0.00 1.37 -0.84 0.71 -1.61 0.00 0.00 178.31 177.94 2pyl s TYR 310 N -2.62 1.85 0.11 -0.55 1.51 -1.23 -5.11 117.35 111.30 2pyl s TYR 310 Ca -0.08 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.29 2pyl s TYR 310 Cb 0.07 -1.08 -0.08 0.00 -0.11 0.00 0.00 41.96 40.76 2pyl s TYR 310 CO 0.86 0.12 1.37 0.15 -1.11 0.00 0.00 175.55 176.95 2pyl s LYS 311 N -1.33 4.33 0.45 -0.62 1.02 -1.26 -4.50 119.74 117.82 2pyl s LYS 311 Ca 0.08 2.04 0.11 0.00 0.02 0.00 0.00 55.97 58.22 2pyl s LYS 311 Cb -0.09 -3.27 1.00 0.00 -0.52 0.00 0.00 37.83 34.95 2pyl s LYS 311 CO 0.02 -0.43 2.05 0.78 -0.92 0.00 0.00 175.35 176.86 2pyl h GLY 312 N 6.85 0.26 1.69 -3.33 0.00 -1.90 -2.49 103.07 104.15 2pyl h GLY 312 Ca -0.42 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2pyl h GLY 312 CO 0.86 0.11 -0.24 3.45 0.00 0.00 0.00 176.54 180.72 2pyl h ASN 313 N 0.24 0.00 -3.34 0.19 -1.07 -1.92 -3.40 115.58 106.28 2pyl h ASN 313 Ca 0.06 -0.07 -0.56 0.00 0.07 0.00 0.00 56.30 55.80 2pyl h ASN 313 Cb 0.09 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.30 2pyl h ASN 313 CO -0.00 0.04 0.36 -1.61 0.07 0.00 0.00 177.43 176.28 2pyl s GLU 314 N -3.14 4.44 0.04 4.14 2.02 -0.94 -5.03 118.70 120.23 2pyl s GLU 314 Ca 0.08 1.21 -0.30 0.00 0.02 0.00 0.00 54.97 55.98 2pyl s GLU 314 Cb 0.12 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 2pyl s GLU 314 CO 0.65 -0.15 0.97 0.71 0.02 0.00 0.00 175.26 177.46 2pyl s TYR 315 N 1.45 3.71 -0.22 1.61 1.51 -1.26 -4.49 117.35 119.67 2pyl s TYR 315 Ca 0.45 1.73 -0.10 0.00 -1.01 0.00 0.00 57.07 58.14 2pyl s TYR 315 Cb -0.19 -3.09 -0.05 0.00 -0.11 0.00 0.00 41.96 38.53 2pyl s TYR 315 CO 0.20 0.07 0.13 -0.51 -1.11 0.00 0.00 175.55 174.33 2pyl s LEU 316 N 0.64 4.08 0.38 -1.29 1.43 0.55 -4.95 118.68 119.52 2pyl s LEU 316 Ca 0.50 0.14 0.21 0.00 -1.03 0.00 0.00 54.13 53.95 2pyl s LEU 316 Cb -0.22 -2.07 0.24 0.00 0.03 0.00 0.00 46.19 44.17 2pyl s LEU 316 CO 0.28 0.12 1.52 0.11 0.23 0.00 0.00 176.35 178.62 2pyl h LYS 317 N 7.10 0.00 -2.45 1.70 1.57 -1.95 -3.42 116.57 119.13 2pyl h LYS 317 Ca -0.39 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.31 2pyl h LYS 317 Cb 1.16 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.28 2pyl h LYS 317 CO 0.70 0.15 -0.01 0.45 -0.57 0.00 0.00 179.45 180.17 2pyl s SER 318 N -6.23 -0.46 0.00 0.86 0.15 -1.26 0.25 113.70 107.00 2pyl s SER 318 Ca 0.06 0.44 0.22 0.00 0.70 0.00 0.00 55.95 57.37 2pyl s SER 318 Cb 0.06 0.44 1.01 0.00 -1.71 0.00 0.00 66.02 65.82 2pyl s SER 318 CO 0.70 -0.54 1.70 -1.54 1.20 0.00 0.00 173.24 174.75 2pyl n SER 319 N 1.06 0.00 -0.35 5.45 3.41 -0.79 -4.91 113.62 117.50 2pyl n SER 319 Ca -0.20 0.24 -0.05 0.00 -0.26 0.00 0.00 58.87 58.60 2pyl n SER 319 Cb 0.57 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 2pyl n SER 319 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pyl n GLY 320 N 0.64 0.69 0.40 5.00 0.00 -1.26 -2.53 105.19 108.13 2pyl n GLY 320 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2pyl n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyl n GLY 321 N -1.60 0.89 3.36 -0.02 0.00 -1.26 -5.09 105.19 101.48 2pyl n GLY 321 Ca -0.05 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 2pyl n GLY 321 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pyl s GLU 322 N -0.69 1.41 -0.15 1.61 0.41 -1.05 -5.11 118.70 115.12 2pyl s GLU 322 Ca 0.00 -1.28 -0.28 0.00 -0.41 0.00 0.00 54.97 53.00 2pyl s GLU 322 Cb 0.00 -1.82 -0.01 0.00 -1.78 0.00 0.00 34.13 30.52 2pyl s GLU 322 CO 0.00 0.44 0.95 0.42 -0.49 0.00 0.00 175.26 176.58 2pyl s ILE 323 N -1.04 4.80 -0.10 -1.63 1.01 -1.26 -4.72 121.20 118.26 2pyl s ILE 323 Ca 0.12 1.90 -0.19 0.00 0.00 0.00 0.00 60.65 62.49 2pyl s ILE 323 Cb -0.10 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 2pyl s ILE 323 CO 0.05 -0.02 0.51 0.00 0.00 0.00 0.00 174.94 175.48 2pyl s ALA 324 N 2.26 3.47 -0.28 9.38 0.00 0.27 -4.90 121.76 131.96 2pyl s ALA 324 Ca 0.44 -0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.10 2pyl s ALA 324 Cb -0.17 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 2pyl s ALA 324 CO 0.14 0.01 0.44 -0.51 0.00 0.00 0.00 175.76 175.84 2pyl s ASP 325 N 0.55 6.32 -0.01 0.00 1.01 -1.26 -1.33 116.67 121.94 2pyl s ASP 325 Ca 0.27 0.31 0.03 0.00 0.71 0.00 0.00 52.55 53.87 2pyl s ASP 325 Cb -0.16 -2.24 -0.00 0.00 1.01 0.00 0.00 42.92 41.53 2pyl s ASP 325 CO 0.12 -0.26 -0.09 -0.76 0.21 0.00 0.00 175.17 174.38 2pyl s LEU 326 N 2.19 1.93 -0.21 1.23 1.43 0.13 -5.01 118.68 120.36 2pyl s LEU 326 Ca 0.17 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2pyl s LEU 326 Cb -0.16 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.53 2pyl s LEU 326 CO 0.10 0.10 -0.02 0.26 0.23 0.00 0.00 176.35 177.02 2pyl s TRP 327 N -0.07 2.99 -0.01 0.29 0.52 -1.26 -0.67 118.94 120.73 2pyl s TRP 327 Ca 0.01 -0.71 0.00 0.00 0.02 0.00 0.00 56.10 55.43 2pyl s TRP 327 Cb -0.06 -2.10 0.02 0.00 -1.15 0.00 0.00 33.47 30.18 2pyl s TRP 327 CO -0.00 -0.41 0.02 -0.51 0.02 0.00 0.00 176.95 176.07 2pyl s LEU 328 N 1.28 1.39 0.85 2.99 1.43 -0.25 -4.22 118.68 122.14 2pyl s LEU 328 Ca 0.04 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 2pyl s LEU 328 Cb -0.14 -0.05 0.10 0.00 0.03 0.00 0.00 46.19 46.13 2pyl s LEU 328 CO -0.00 -0.08 1.13 -0.94 0.23 0.00 0.00 176.35 176.68 2pyl s SER 329 N 0.71 3.63 0.50 2.29 1.04 -1.26 -0.40 113.70 120.22 2pyl s SER 329 Ca -0.06 2.04 0.15 0.00 0.48 0.00 0.00 55.95 58.56 2pyl s SER 329 Cb -0.09 -2.55 1.20 0.00 0.10 0.00 0.00 66.02 64.68 2pyl s SER 329 CO -0.02 -2.63 2.12 -0.55 0.98 0.00 0.00 173.24 173.14 2pyl h ASN 330 N -1.50 0.03 -0.33 7.02 -1.07 -1.68 -0.49 115.58 117.56 2pyl h ASN 330 Ca -0.43 -0.00 -0.09 0.00 0.07 0.00 0.00 56.30 55.84 2pyl h ASN 330 Cb 1.25 -0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 37.49 2pyl h ASN 330 CO 0.46 0.05 -0.16 0.58 0.07 0.00 0.00 177.43 178.43 2pyl h VAL 331 N 0.04 1.29 -0.29 6.14 2.07 -1.91 -1.98 116.25 121.60 2pyl h VAL 331 Ca 0.01 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.17 2pyl h VAL 331 Cb 0.05 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2pyl h VAL 331 CO 0.00 0.41 -0.16 0.44 0.02 0.00 0.00 177.57 178.29 2pyl h ASP 332 N 0.46 0.64 -0.53 0.57 3.32 -1.76 -2.37 116.42 116.75 2pyl h ASP 332 Ca 0.07 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 2pyl h ASP 332 Cb 0.70 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 2pyl h ASP 332 CO 0.05 0.92 0.32 0.25 -1.72 0.00 0.00 179.24 179.06 2pyl h LEU 333 N 0.37 0.63 -0.67 1.55 5.85 -1.13 0.59 115.31 122.50 2pyl h LEU 333 Ca 0.06 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2pyl h LEU 333 Cb 0.69 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2pyl h LEU 333 CO 0.05 0.50 0.37 -0.08 -0.34 0.00 0.00 178.44 178.94 2pyl h GLU 334 N 0.71 0.93 -0.42 1.25 4.81 -1.38 -1.62 114.58 118.85 2pyl h GLU 334 Ca 0.19 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2pyl h GLU 334 Cb -0.02 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2pyl h GLU 334 CO -0.04 0.69 0.14 1.25 -0.73 0.00 0.00 179.01 180.32 2pyl h LEU 335 N 0.91 0.62 -0.59 1.64 5.85 -1.13 -2.49 115.31 120.11 2pyl h LEU 335 Ca 0.24 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2pyl h LEU 335 Cb 0.03 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2pyl h LEU 335 CO -0.04 0.65 0.36 -0.03 -0.34 0.00 0.00 178.44 179.04 2pyl h MET 336 N 0.54 0.69 0.00 1.25 4.05 -0.72 -2.16 114.93 118.59 2pyl h MET 336 Ca 0.14 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 2pyl h MET 336 Cb 0.26 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 2pyl h MET 336 CO -0.01 0.46 -0.20 0.87 0.23 0.00 0.00 176.91 178.26 2pyl h LYS 337 N 0.71 0.00 -0.03 0.39 1.57 -1.21 -0.39 116.57 117.61 2pyl h LYS 337 Ca 0.24 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.82 2pyl h LYS 337 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2pyl h LYS 337 CO -0.10 0.20 -0.84 1.49 -0.57 0.00 0.00 179.45 179.63 2pyl h GLU 338 N 0.00 0.34 0.00 3.15 4.81 -0.93 -3.35 114.58 118.59 2pyl h GLU 338 Ca -0.00 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 2pyl h GLU 338 Cb 0.39 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2pyl h GLU 338 CO 0.03 1.00 -1.36 0.72 -0.73 0.00 0.00 179.01 178.67 2pyl n HIS 339 N -3.76 0.69 -4.45 0.92 8.25 -0.93 -4.96 115.22 110.99 2pyl n HIS 339 Ca -0.05 0.20 -0.21 0.00 -0.26 0.00 0.00 57.72 57.40 2pyl n HIS 339 Cb 0.77 -0.85 -0.14 0.00 1.12 0.00 0.00 29.99 30.89 2pyl n HIS 339 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2pyl s TYR 340 N -3.33 1.34 0.00 4.41 1.51 -0.18 -1.00 117.35 120.11 2pyl s TYR 340 Ca -0.03 -0.34 -0.26 0.00 -1.01 0.00 0.00 57.07 55.42 2pyl s TYR 340 Cb 0.11 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 2pyl s TYR 340 CO 0.83 0.04 0.82 -0.51 -1.11 0.00 0.00 175.55 175.62 2pyl s ASP 341 N -1.04 7.21 -0.04 2.29 1.01 -0.00 -4.58 116.67 121.51 2pyl s ASP 341 Ca 0.03 1.45 -0.00 0.00 0.71 0.00 0.00 52.55 54.74 2pyl s ASP 341 Cb -0.08 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 2pyl s ASP 341 CO 0.01 -0.11 0.00 -0.76 0.21 0.00 0.00 175.17 174.52 2pyl s LEU 342 N 0.52 3.54 0.03 1.23 1.43 -1.26 -1.31 118.68 122.86 2pyl s LEU 342 Ca 0.43 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 2pyl s LEU 342 Cb -0.20 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2pyl s LEU 342 CO 0.23 0.33 -0.10 -0.31 0.23 0.00 0.00 176.35 176.73 2pyl s TYR 343 N -0.99 0.91 -1.31 0.29 1.51 0.41 -4.87 117.35 113.30 2pyl s TYR 343 Ca 0.17 -0.32 -0.07 0.00 -1.01 0.00 0.00 57.07 55.84 2pyl s TYR 343 Cb -0.11 -0.55 -0.00 0.00 -0.11 0.00 0.00 41.96 41.19 2pyl s TYR 343 CO 0.06 -0.01 0.58 0.09 -1.11 0.00 0.00 175.55 175.16 2pyl n ASN 344 N 2.08 -1.98 -4.71 2.29 3.02 -1.26 -0.42 115.26 114.28 2pyl n ASN 344 Ca -0.18 -0.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.97 2pyl n ASN 344 Cb 0.56 -3.29 -0.03 0.00 -0.61 0.00 0.00 39.78 36.40 2pyl n ASN 344 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pyl s VAL 345 N -3.76 4.55 -0.15 2.41 1.01 -1.26 -4.19 120.40 119.01 2pyl s VAL 345 Ca 0.15 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.99 2pyl s VAL 345 Cb -0.05 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.16 2pyl s VAL 345 CO 0.87 0.15 -0.15 -1.61 0.00 0.00 0.00 175.10 174.37 2pyl s GLU 346 N 0.95 2.34 -0.44 2.72 2.02 0.88 -4.99 118.70 122.17 2pyl s GLU 346 Ca 0.54 -0.57 -0.22 0.00 0.02 0.00 0.00 54.97 54.74 2pyl s GLU 346 Cb -0.24 -2.12 0.02 0.00 0.10 0.00 0.00 34.13 31.89 2pyl s GLU 346 CO 0.29 -0.22 0.70 0.71 0.02 0.00 0.00 175.26 176.76 2pyl s TYR 347 N 1.44 3.04 -0.10 1.61 1.51 -1.26 -0.81 117.35 122.77 2pyl s TYR 347 Ca 0.04 0.07 -0.06 0.00 -1.01 0.00 0.00 57.07 56.11 2pyl s TYR 347 Cb -0.13 -3.47 -0.02 0.00 -0.11 0.00 0.00 41.96 38.23 2pyl s TYR 347 CO -0.10 -0.90 -0.12 0.82 -1.11 0.00 0.00 175.55 174.13 2pyl h ILE 348 N 5.91 0.00 -2.68 2.71 1.08 -1.43 -3.37 117.51 119.73 2pyl h ILE 348 Ca -0.25 -0.74 0.05 0.00 -0.39 0.00 0.00 64.86 63.53 2pyl h ILE 348 Cb 1.09 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 2pyl h ILE 348 CO 0.92 0.00 0.37 -1.54 -0.69 0.00 0.00 178.15 177.20 2pyl n SER 349 N -4.01 -1.81 -0.96 1.72 3.41 -1.22 -1.01 113.62 109.74 2pyl n SER 349 Ca -0.05 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 2pyl n SER 349 Cb 0.18 2.98 0.00 0.00 -0.26 0.00 0.00 64.21 67.11 2pyl n SER 349 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pyl n GLY 350 N -0.54 0.81 2.90 5.00 0.00 -0.76 0.22 105.19 112.81 2pyl n GLY 350 Ca -0.05 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 2pyl n GLY 350 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyl s LEU 351 N 0.00 1.60 0.06 0.99 1.43 -0.20 -1.54 118.68 121.02 2pyl s LEU 351 Ca 0.00 -0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.10 2pyl s LEU 351 Cb 0.00 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 2pyl s LEU 351 CO 0.00 -0.02 -0.18 -1.59 0.23 0.00 0.00 176.35 174.79 2pyl s LYS 352 N 0.47 2.01 0.01 1.70 -2.85 -0.52 0.26 119.74 120.82 2pyl s LYS 352 Ca -0.05 -1.02 0.06 0.00 -1.00 0.00 0.00 55.97 53.96 2pyl s LYS 352 Cb -0.08 -2.17 -0.02 0.00 -2.06 0.00 0.00 37.83 33.49 2pyl s LYS 352 CO -0.01 0.53 -0.19 -0.06 0.10 0.00 0.00 175.35 175.72 2pyl s PHE 353 N -0.97 1.72 0.85 1.78 0.40 0.21 -1.67 117.98 120.30 2pyl s PHE 353 Ca 0.15 -0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 56.01 2pyl s PHE 353 Cb -0.10 -1.07 0.07 0.00 0.51 0.00 0.00 43.02 42.42 2pyl s PHE 353 CO 0.06 0.02 0.90 1.63 0.70 0.00 0.00 175.22 178.54 2pyl n LYS 354 N 2.27 -0.04 -3.76 0.44 5.02 -1.24 -2.84 118.16 118.01 2pyl n LYS 354 Ca -0.16 0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 56.06 2pyl n LYS 354 Cb 0.53 -2.20 -0.08 0.00 -0.02 0.00 0.00 35.03 33.26 2pyl n LYS 354 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pyl s ALA 355 N -2.26 -0.75 0.33 7.82 0.00 -1.26 -1.70 121.76 123.94 2pyl s ALA 355 Ca 0.67 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 2pyl s ALA 355 Cb -0.27 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.01 2pyl s ALA 355 CO 0.57 -0.30 0.63 -0.08 0.00 0.00 0.00 175.76 176.59 2pyl s THR 356 N -1.62 0.00 0.23 0.00 -1.32 -0.69 -4.90 115.64 107.32 2pyl s THR 356 Ca -0.12 -1.24 0.11 0.00 -1.21 0.00 0.00 61.69 59.24 2pyl s THR 356 Cb -0.04 -2.55 -0.05 0.00 -1.51 0.00 0.00 72.50 68.35 2pyl s THR 356 CO 0.02 0.00 -0.20 0.42 -2.21 0.00 0.00 174.62 172.65 2pyl s THR 357 N -3.09 2.51 0.00 5.08 -4.23 -1.26 -1.28 115.64 113.37 2pyl s THR 357 Ca 0.20 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2pyl s THR 357 Cb -0.03 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.55 2pyl s THR 357 CO 0.13 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 2pyl n GLY 358 N -0.11 0.53 0.21 3.99 0.00 -1.26 -4.95 105.19 103.60 2pyl n GLY 358 Ca -0.09 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.30 2pyl n GLY 358 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pyl h LEU 359 N 0.00 0.00 -2.90 0.99 3.38 -1.89 -3.24 115.31 111.65 2pyl h LEU 359 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pyl h LEU 359 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2pyl h LEU 359 CO 0.00 0.30 0.00 0.49 0.09 0.00 0.00 178.44 179.32 2pyl n PHE 360 N -3.57 0.90 0.20 1.13 3.01 -1.26 -4.77 117.46 113.10 2pyl n PHE 360 Ca -0.01 -0.54 -0.13 0.00 1.01 0.00 0.00 57.45 57.78 2pyl n PHE 360 Cb 0.44 -0.07 -0.07 0.00 -0.01 0.00 0.00 39.48 39.76 2pyl n PHE 360 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2pyl h LYS 361 N 3.36 -0.69 -0.55 -1.08 3.64 -1.87 -1.54 116.57 117.83 2pyl h LYS 361 Ca 0.00 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 2pyl h LYS 361 Cb 1.02 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2pyl h LYS 361 CO 0.06 -0.46 0.04 -0.44 -2.27 0.00 0.00 179.45 176.38 2pyl h ASP 362 N -0.72 0.88 -0.53 4.20 3.32 -1.87 0.17 116.42 121.87 2pyl h ASP 362 Ca -0.04 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 2pyl h ASP 362 Cb 0.63 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2pyl h ASP 362 CO -0.07 0.91 0.18 0.15 -1.72 0.00 0.00 179.24 178.69 2pyl h PHE 363 N 0.86 0.84 -0.12 4.55 3.57 -1.88 -1.85 116.94 122.91 2pyl h PHE 363 Ca 0.17 -0.08 -0.22 0.00 3.53 0.00 0.00 57.97 61.37 2pyl h PHE 363 Cb 0.44 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.95 2pyl h PHE 363 CO 0.03 0.71 -0.79 0.82 -2.23 0.00 0.00 178.31 176.85 2pyl h ILE 364 N 0.72 1.30 -0.91 1.41 2.04 -0.76 -2.66 117.51 118.66 2pyl h ILE 364 Ca 0.17 -2.05 0.08 0.00 1.00 0.00 0.00 64.86 64.06 2pyl h ILE 364 Cb 0.26 2.05 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 2pyl h ILE 364 CO -0.01 0.64 0.59 0.44 0.00 0.00 0.00 178.15 179.81 2pyl h ASP 365 N 0.46 0.87 0.04 1.72 3.32 -0.64 -0.44 116.42 121.74 2pyl h ASP 365 Ca -0.05 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 2pyl h ASP 365 Cb 1.41 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2pyl h ASP 365 CO 0.16 0.54 -0.02 0.50 -1.72 0.00 0.00 179.24 178.70 2pyl h LYS 366 N 0.98 -0.05 0.00 3.56 3.64 -1.23 -3.03 116.57 120.45 2pyl h LYS 366 Ca 0.40 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.71 2pyl h LYS 366 Cb 0.28 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2pyl h LYS 366 CO -0.16 0.32 -0.72 -1.49 -2.27 0.00 0.00 179.45 175.13 2pyl h TRP 367 N -0.42 0.00 -0.13 1.91 4.06 -1.37 -2.31 115.95 117.69 2pyl h TRP 367 Ca -0.00 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.79 2pyl h TRP 367 Cb 0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.54 2pyl h TRP 367 CO 0.05 0.32 -0.57 1.79 -3.56 0.00 0.00 178.44 176.47 2pyl h THR 368 N 0.00 1.35 -0.26 1.49 1.35 -1.20 -0.98 112.91 114.65 2pyl h THR 368 Ca -0.04 -1.86 -0.07 0.00 -0.55 0.00 0.00 66.41 63.88 2pyl h THR 368 Cb 1.28 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.56 2pyl h THR 368 CO 0.03 0.57 -0.12 0.22 -0.25 0.00 0.00 175.52 175.97 2pyl h TYR 369 N 0.31 0.62 -0.66 4.73 3.20 -1.47 -1.65 116.97 122.06 2pyl h TYR 369 Ca 0.00 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 2pyl h TYR 369 Cb 1.09 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 2pyl h TYR 369 CO 0.03 0.79 0.37 0.82 -1.64 0.00 0.00 178.16 178.54 2pyl h ILE 370 N 0.28 1.20 -0.52 1.81 2.04 -1.42 -2.10 117.51 118.80 2pyl h ILE 370 Ca 0.06 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.43 2pyl h ILE 370 Cb 0.62 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2pyl h ILE 370 CO 0.04 0.22 0.33 0.50 0.00 0.00 0.00 178.15 179.24 2pyl h LYS 371 N 0.90 0.66 -0.38 2.37 3.64 -1.13 -2.57 116.57 120.05 2pyl h LYS 371 Ca 0.23 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 2pyl h LYS 371 Cb 0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2pyl h LYS 371 CO -0.04 0.43 -0.17 1.15 -2.27 0.00 0.00 179.45 178.55 2pyl h THR 372 N 0.67 1.26 -0.42 1.00 2.02 -1.14 -3.07 112.91 113.24 2pyl h THR 372 Ca 0.20 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.14 2pyl h THR 372 Cb -0.05 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2pyl h THR 372 CO -0.06 0.41 0.00 0.35 0.37 0.00 0.00 175.52 176.60 2pyl n THR 373 N -4.14 0.55 -4.58 3.16 -2.24 -0.80 -4.94 114.28 101.29 2pyl n THR 373 Ca 0.01 -0.60 -0.27 0.00 -2.27 0.00 0.00 64.05 60.92 2pyl n THR 373 Cb 0.39 0.39 -0.11 0.00 -2.10 0.00 0.00 70.33 68.90 2pyl n THR 373 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2pyl s SER 374 N -1.14 3.71 0.11 3.42 0.01 -0.97 -5.05 113.70 113.78 2pyl s SER 374 Ca 0.33 -1.31 0.04 0.00 1.31 0.00 0.00 55.95 56.31 2pyl s SER 374 Cb 0.17 -0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 2pyl s SER 374 CO 0.23 -0.38 -0.10 -0.70 0.41 0.00 0.00 173.24 172.71 2pyl s GLU 375 N -3.69 0.90 4.20 12.44 2.12 -1.26 -4.61 118.70 128.80 2pyl s GLU 375 Ca 0.34 -1.25 0.00 0.00 0.36 0.00 0.00 54.97 54.42 2pyl s GLU 375 Cb 0.07 -0.52 0.00 0.00 0.26 0.00 0.00 34.13 33.94 2pyl s GLU 375 CO 0.17 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.37 2pyl n GLY 376 N 0.30 2.78 0.36 -1.50 0.00 -1.26 -2.19 105.19 103.69 2pyl n GLY 376 Ca -0.14 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.78 2pyl n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyl h ALA 377 N -0.59 1.73 -0.64 4.61 0.00 -1.92 -1.03 119.26 121.42 2pyl h ALA 377 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2pyl h ALA 377 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2pyl h ALA 377 CO 0.00 0.10 0.07 0.82 0.00 0.00 0.00 179.25 180.25 2pyl h ILE 378 N 0.77 1.26 -0.34 0.00 1.08 -1.77 -0.26 117.51 118.25 2pyl h ILE 378 Ca 0.38 -1.06 -0.04 0.00 -0.39 0.00 0.00 64.86 63.74 2pyl h ILE 378 Cb 0.43 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 2pyl h ILE 378 CO -0.15 0.39 0.06 0.50 -0.69 0.00 0.00 178.15 178.27 2pyl h LYS 379 N 0.99 0.56 0.00 2.37 3.64 -0.89 -2.76 116.57 120.48 2pyl h LYS 379 Ca 0.19 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2pyl h LYS 379 Cb 0.47 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2pyl h LYS 379 CO 0.02 0.63 -0.18 1.96 -2.27 0.00 0.00 179.45 179.60 2pyl h GLN 380 N 0.39 0.00 -0.31 1.90 1.08 -0.86 -1.05 115.11 116.27 2pyl h GLN 380 Ca 0.10 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.13 2pyl h GLN 380 Cb 0.33 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2pyl h GLN 380 CO 0.00 0.18 -0.50 -0.07 -0.95 0.00 0.00 178.83 177.49 2pyl h LEU 381 N 0.00 0.95 -0.41 1.46 3.38 -0.98 -0.52 115.31 119.19 2pyl h LEU 381 Ca -0.00 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 2pyl h LEU 381 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2pyl h LEU 381 CO 0.02 1.28 -0.04 0.00 0.09 0.00 0.00 178.44 179.80 2pyl h ALA 382 N 0.74 0.55 -0.77 1.53 0.00 -1.16 -1.25 119.26 118.91 2pyl h ALA 382 Ca 0.03 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.77 2pyl h ALA 382 Cb 1.10 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 2pyl h ALA 382 CO 0.11 0.37 0.38 -0.22 0.00 0.00 0.00 179.25 179.89 2pyl h LYS 383 N 0.57 0.58 -0.26 0.00 3.64 -1.15 -2.63 116.57 117.32 2pyl h LYS 383 Ca 0.11 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 2pyl h LYS 383 Cb 0.53 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2pyl h LYS 383 CO 0.03 0.38 -0.38 1.25 -2.27 0.00 0.00 179.45 178.47 2pyl h LEU 384 N 0.60 0.62 -0.34 5.20 5.85 -0.67 -1.59 115.31 124.99 2pyl h LEU 384 Ca 0.40 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2pyl h LEU 384 Cb 0.49 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2pyl h LEU 384 CO -0.32 0.94 0.09 0.24 -0.34 0.00 0.00 178.44 179.06 2pyl h MET 385 N 0.49 0.22 -0.09 1.25 2.86 -0.91 0.11 114.93 118.86 2pyl h MET 385 Ca 0.05 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2pyl h MET 385 Cb 0.87 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 2pyl h MET 385 CO 0.08 0.14 0.05 -0.07 1.06 0.00 0.00 176.91 178.17 2pyl h LEU 386 N 0.22 0.11 -0.40 1.22 3.38 -1.22 -2.78 115.31 115.85 2pyl h LEU 386 Ca 0.15 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 2pyl h LEU 386 Cb 0.15 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2pyl h LEU 386 CO -0.18 0.15 -0.80 0.78 0.09 0.00 0.00 178.44 178.48 2pyl h ASN 387 N 0.06 0.16 1.59 -0.43 2.35 -1.13 -3.18 115.58 115.00 2pyl h ASN 387 Ca 0.03 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2pyl h ASN 387 Cb 0.06 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 2pyl h ASN 387 CO -0.01 0.89 -0.12 0.77 -1.65 0.00 0.00 177.43 177.32 2pyl h SER 388 N 0.07 0.00 -0.20 5.81 4.64 -0.82 -2.86 113.55 120.19 2pyl h SER 388 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2pyl h SER 388 Cb 1.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 2pyl h SER 388 CO 0.12 0.12 0.08 0.25 -0.87 0.00 0.00 176.83 176.52 2pyl h LEU 389 N 0.00 0.27 -0.33 5.97 5.85 -1.47 0.42 115.31 126.03 2pyl h LEU 389 Ca -0.00 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2pyl h LEU 389 Cb 0.94 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2pyl h LEU 389 CO 0.02 0.36 0.16 0.22 -0.34 0.00 0.00 178.44 178.86 2pyl h TYR 390 N 0.17 0.30 -0.54 1.25 3.20 -1.62 -2.77 116.97 116.96 2pyl h TYR 390 Ca 0.07 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2pyl h TYR 390 Cb 0.17 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 2pyl h TYR 390 CO -0.01 0.16 0.30 0.78 -1.64 0.00 0.00 178.16 177.75 2pyl h GLY 391 N 0.34 0.81 0.57 1.82 0.00 -1.34 -2.79 103.07 102.47 2pyl h GLY 391 Ca 0.14 -0.36 0.10 0.00 0.00 0.00 0.00 47.33 47.21 2pyl h GLY 391 CO -0.10 0.35 0.62 0.50 0.00 0.00 0.00 176.54 177.91 2pyl h LYS 392 N 0.73 1.02 -0.69 4.80 1.79 0.05 -0.86 116.57 123.41 2pyl h LYS 392 Ca 0.19 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2pyl h LYS 392 Cb 0.04 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.42 2pyl h LYS 392 CO -0.03 0.67 0.39 0.74 -1.08 0.00 0.00 179.45 180.14 2pyl h PHE 393 N 1.05 0.92 -0.49 -1.35 -1.00 -1.23 -2.13 116.94 112.71 2pyl h PHE 393 Ca 0.47 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.24 2pyl h PHE 393 Cb 0.36 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.62 2pyl h PHE 393 CO -0.01 0.63 0.00 0.00 -1.61 0.00 0.00 178.31 177.32 2pyl n ALA 394 N -2.43 3.54 -1.68 2.45 0.00 -0.46 -1.98 120.51 119.95 2pyl n ALA 394 Ca 0.07 -1.54 -0.55 0.00 0.00 0.00 0.00 53.44 51.42 2pyl n ALA 394 Cb 0.09 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 2pyl n ALA 394 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2pyl n SER 395 N 0.59 2.33 -4.66 0.00 7.64 -0.46 -4.91 113.62 114.16 2pyl n SER 395 Ca 0.23 1.08 -0.43 0.00 1.01 0.00 0.00 58.87 60.76 2pyl n SER 395 Cb 0.99 -1.18 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 2pyl n SER 395 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2pyl s ASN 396 N 2.80 6.79 0.29 6.43 3.04 -1.26 -4.58 114.94 128.45 2pyl s ASN 396 Ca 0.94 2.00 0.23 0.00 0.04 0.00 0.00 52.86 56.06 2pyl s ASN 396 Cb -1.00 -2.54 1.06 0.00 -1.54 0.00 0.00 41.25 37.24 2pyl s ASN 396 CO 0.59 -0.85 1.69 -0.81 -3.04 0.00 0.00 177.10 174.68 2pyl n PRO 397 N 6.85 0.17 -2.12 0.43 -0.04 -1.26 -4.45 135.00 134.58 2pyl n PRO 397 Ca 0.16 0.52 -0.39 0.00 -0.04 0.00 0.00 63.50 63.74 2pyl n PRO 397 Cb 0.44 -1.91 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 2pyl n PRO 397 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2pyl s ASP 398 N -4.16 5.46 -0.21 3.54 -1.08 -1.26 -1.10 116.67 117.86 2pyl s ASP 398 Ca 0.01 0.28 0.15 0.00 -0.52 0.00 0.00 52.55 52.47 2pyl s ASP 398 Cb 0.08 -2.53 0.48 0.00 -1.46 0.00 0.00 42.92 39.49 2pyl s ASP 398 CO 0.31 -2.24 1.39 1.33 0.52 0.00 0.00 175.17 176.47 2pyl n VAL 399 N 7.10 2.31 -1.68 1.11 0.24 -0.33 -5.00 118.33 122.07 2pyl n VAL 399 Ca 0.18 -2.23 -0.46 0.00 -2.04 0.00 0.00 64.34 59.79 2pyl n VAL 399 Cb 0.51 -0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 32.57 2pyl n VAL 399 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2pyl n THR 400 N -0.85 0.34 -2.91 3.34 -1.04 -1.08 -4.76 114.28 107.31 2pyl n THR 400 Ca 0.24 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2pyl n THR 400 Cb 0.90 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 2pyl n THR 400 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pyl n GLY 401 N 4.03 7.19 3.72 3.41 0.00 -1.26 -3.84 105.19 118.43 2pyl n GLY 401 Ca 0.20 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 2pyl n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pyl s LYS 402 N 1.16 3.02 -0.23 1.61 1.02 0.03 -0.71 119.74 125.64 2pyl s LYS 402 Ca 0.00 -0.42 -0.05 0.00 0.02 0.00 0.00 55.97 55.52 2pyl s LYS 402 Cb 0.00 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 2pyl s LYS 402 CO 0.00 0.69 0.01 0.08 -0.92 0.00 0.00 175.35 175.21 2pyl s VAL 403 N -0.98 3.84 0.41 3.17 1.01 0.13 -4.50 120.40 123.48 2pyl s VAL 403 Ca 0.16 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 2pyl s VAL 403 Cb -0.12 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 2pyl s VAL 403 CO 0.06 0.39 1.05 -2.16 0.00 0.00 0.00 175.10 174.44 2pyl s PRO 404 N 1.46 4.12 0.09 2.72 0.04 -1.26 -1.07 135.00 141.09 2pyl s PRO 404 Ca 0.05 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.52 2pyl s PRO 404 Cb -0.15 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 2pyl s PRO 404 CO 0.00 -0.18 0.16 1.52 0.04 0.00 0.00 177.00 178.55 2pyl s TYR 405 N -1.69 0.21 -0.34 0.56 -0.85 -0.22 -4.81 117.35 110.22 2pyl s TYR 405 Ca 0.59 -0.66 -0.18 0.00 -0.52 0.00 0.00 57.07 56.30 2pyl s TYR 405 Cb -0.22 -0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.01 2pyl s TYR 405 CO 0.27 -0.53 0.51 -1.17 -1.52 0.00 0.00 175.55 173.11 2pyl s LEU 406 N -2.87 4.30 0.96 -3.49 2.96 -1.26 -0.04 118.68 119.22 2pyl s LEU 406 Ca 0.06 0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.90 2pyl s LEU 406 Cb 0.05 -2.59 0.16 0.00 0.50 0.00 0.00 46.19 44.32 2pyl s LEU 406 CO -0.10 -0.44 1.09 -0.54 -1.32 0.00 0.00 176.35 175.04 2pyl s LYS 407 N 2.37 0.78 0.54 1.98 1.02 0.01 -4.92 119.74 121.52 2pyl s LYS 407 Ca 0.19 0.63 0.29 0.00 0.02 0.00 0.00 55.97 57.09 2pyl s LYS 407 Cb -0.15 -1.77 1.55 0.00 -0.52 0.00 0.00 37.83 36.94 2pyl s LYS 407 CO 0.13 -2.52 2.11 1.49 -0.92 0.00 0.00 175.35 175.64 2pyl h GLU 408 N -1.74 0.00 -0.01 1.68 4.81 -1.98 -2.68 114.58 114.66 2pyl h GLU 408 Ca -0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2pyl h GLU 408 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2pyl h GLU 408 CO 0.56 0.09 -0.16 0.27 -0.73 0.00 0.00 179.01 179.05 2pyl n ASN 409 N -3.63 1.07 0.00 1.04 2.04 -1.26 -4.94 115.26 109.58 2pyl n ASN 409 Ca -0.02 -1.03 0.00 0.00 -0.44 0.00 0.00 54.58 53.09 2pyl n ASN 409 Cb 0.21 0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.52 2pyl n ASN 409 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2pyl n GLY 410 N 1.28 0.37 3.91 4.83 0.00 -1.01 -4.70 105.19 109.87 2pyl n GLY 410 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2pyl n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyl s ALA 411 N -2.00 3.90 0.17 4.61 0.00 -1.26 -3.69 121.76 123.49 2pyl s ALA 411 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 2pyl s ALA 411 Cb 0.00 -1.97 -0.08 0.00 0.00 0.00 0.00 23.12 21.07 2pyl s ALA 411 CO 0.00 0.71 1.26 -0.51 0.00 0.00 0.00 175.76 177.22 2pyl s LEU 412 N -2.69 4.42 0.36 0.00 1.43 -1.26 -0.81 118.68 120.12 2pyl s LEU 412 Ca 0.38 2.29 0.08 0.00 -1.03 0.00 0.00 54.13 55.85 2pyl s LEU 412 Cb -0.12 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 2pyl s LEU 412 CO 0.27 -0.48 0.10 -0.83 0.23 0.00 0.00 176.35 175.64 2pyl s GLY 413 N 0.43 2.08 -0.01 -3.19 0.00 0.94 -4.86 107.32 102.71 2pyl s GLY 413 Ca 0.56 -1.94 0.03 0.00 0.00 0.00 0.00 44.72 43.37 2pyl s GLY 413 CO 0.36 -1.85 -0.09 -1.36 0.00 0.00 0.00 173.10 170.16 2pyl s PHE 414 N -2.50 0.83 0.12 1.90 0.40 -1.26 -1.06 117.98 116.40 2pyl s PHE 414 Ca 0.37 -0.17 0.11 0.00 -0.60 0.00 0.00 56.93 56.64 2pyl s PHE 414 Cb -0.00 -0.55 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 2pyl s PHE 414 CO 0.21 -0.04 -0.26 1.03 0.70 0.00 0.00 175.22 176.86 2pyl s ARG 415 N -0.08 1.48 0.17 0.44 0.52 -0.23 -4.93 118.95 116.33 2pyl s ARG 415 Ca 0.01 -1.30 -0.31 0.00 -0.52 0.00 0.00 55.73 53.61 2pyl s ARG 415 Cb -0.05 -1.92 -0.10 0.00 0.52 0.00 0.00 34.95 33.40 2pyl s ARG 415 CO -0.00 0.46 1.54 -1.17 0.02 0.00 0.00 175.30 176.15 2pyl s LEU 416 N -1.93 4.37 0.00 2.53 2.96 -1.26 0.20 118.68 125.55 2pyl s LEU 416 Ca 0.14 2.60 -0.14 0.00 -0.22 0.00 0.00 54.13 56.52 2pyl s LEU 416 Cb -0.10 -3.60 0.20 0.00 0.50 0.00 0.00 46.19 43.20 2pyl s LEU 416 CO 0.06 -0.79 1.23 0.61 -1.32 0.00 0.00 176.35 176.13 2pyl n GLY 417 N 3.49 -1.20 3.76 7.98 0.00 0.11 -4.79 105.19 114.54 2pyl n GLY 417 Ca 0.13 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 2pyl n GLY 417 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pyl s GLU 418 N -5.67 4.13 0.16 1.61 0.41 -1.26 -4.83 118.70 113.25 2pyl s GLU 418 Ca 0.71 2.56 -0.34 0.00 -0.41 0.00 0.00 54.97 57.49 2pyl s GLU 418 Cb -0.02 -3.01 -0.14 0.00 -1.78 0.00 0.00 34.13 29.18 2pyl s GLU 418 CO 0.49 -0.58 1.58 0.39 -0.49 0.00 0.00 175.26 176.66 2pyl n GLU 419 N 1.49 2.16 -3.88 1.61 -0.58 -1.26 -4.68 120.64 115.50 2pyl n GLU 419 Ca 0.05 0.78 -0.10 0.00 -0.42 0.00 0.00 57.16 57.47 2pyl n GLU 419 Cb 0.38 -2.55 -0.09 0.00 -0.57 0.00 0.00 31.44 28.61 2pyl n GLU 419 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2pyl s GLU 420 N 0.95 0.65 0.14 3.49 -1.05 -1.26 -4.96 118.70 116.65 2pyl s GLU 420 Ca 0.79 -0.67 0.07 0.00 -0.15 0.00 0.00 54.97 55.01 2pyl s GLU 420 Cb -0.68 0.26 -0.04 0.00 -0.44 0.00 0.00 34.13 33.24 2pyl s GLU 420 CO 0.38 -0.18 -0.16 0.95 0.95 0.00 0.00 175.26 177.20 2pyl s THR 421 N -2.55 1.57 0.33 1.83 -4.23 -1.26 -1.19 115.64 110.14 2pyl s THR 421 Ca -0.05 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 58.76 2pyl s THR 421 Cb -0.01 -1.66 -0.06 0.00 1.34 0.00 0.00 72.50 72.11 2pyl s THR 421 CO -0.04 -0.33 -0.07 -1.59 -0.54 0.00 0.00 174.62 172.04 2pyl s LYS 422 N -2.63 1.74 0.42 3.99 -2.85 -0.26 -4.91 119.74 115.24 2pyl s LYS 422 Ca 0.11 -1.90 -0.26 0.00 -1.00 0.00 0.00 55.97 52.92 2pyl s LYS 422 Cb -0.06 -1.50 -0.09 0.00 -2.06 0.00 0.00 37.83 34.12 2pyl s LYS 422 CO 0.05 0.09 1.37 -0.51 0.10 0.00 0.00 175.35 176.44 2pyl s ASP 423 N -3.56 6.16 0.92 0.03 1.01 -1.26 -4.58 116.67 115.39 2pyl s ASP 423 Ca 0.32 2.79 -0.11 0.00 0.71 0.00 0.00 52.55 56.27 2pyl s ASP 423 Cb 0.03 -2.65 0.15 0.00 1.01 0.00 0.00 42.92 41.46 2pyl s ASP 423 CO 0.15 -0.97 1.12 -2.84 0.21 0.00 0.00 175.17 172.84 2pyl s PRO 424 N -2.29 0.99 0.00 8.23 0.02 -1.26 -4.81 135.00 135.87 2pyl s PRO 424 Ca 0.58 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.93 2pyl s PRO 424 Cb -0.41 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.37 2pyl s PRO 424 CO 0.53 -2.58 0.00 0.28 -0.33 0.00 0.00 177.00 174.90 2pyl n VAL 425 N -4.18 0.00 -2.87 3.83 0.31 -1.26 -4.76 118.33 109.39 2pyl n VAL 425 Ca 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.40 2pyl n VAL 425 Cb 0.53 -0.53 0.01 0.00 -0.91 0.00 0.00 33.84 32.93 2pyl n VAL 425 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2pyl s TYR 426 N 0.00 -1.53 0.40 3.52 5.04 -0.84 -4.59 117.35 119.36 2pyl s TYR 426 Ca 0.00 -0.30 0.20 0.00 -2.44 0.00 0.00 57.07 54.53 2pyl s TYR 426 Cb 0.00 0.30 1.12 0.00 0.35 0.00 0.00 41.96 43.73 2pyl s TYR 426 CO 0.00 -1.15 1.98 1.15 -1.34 0.00 0.00 175.55 176.18 2pyl h THR 427 N 4.79 0.89 -0.93 4.34 2.02 -1.86 -2.43 112.91 119.73 2pyl h THR 427 Ca 0.05 -0.77 0.15 0.00 0.77 0.00 0.00 66.41 66.61 2pyl h THR 427 Cb 1.14 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 68.92 2pyl h THR 427 CO 0.02 0.20 0.59 -0.65 0.37 0.00 0.00 175.52 176.06 2pyl h PRO 428 N 0.00 0.71 -0.26 6.66 0.11 -1.93 -2.21 132.00 135.07 2pyl h PRO 428 Ca -0.00 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.12 2pyl h PRO 428 Cb 0.43 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.33 2pyl h PRO 428 CO 0.03 0.47 -0.11 0.52 -0.21 0.00 0.00 178.00 178.70 2pyl h MET 429 N 0.73 -0.06 -0.83 1.05 2.86 -1.71 -2.23 114.93 114.74 2pyl h MET 429 Ca 0.48 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.20 2pyl h MET 429 Cb 0.74 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.35 2pyl h MET 429 CO -0.24 -0.04 0.49 0.78 1.06 0.00 0.00 176.91 178.96 2pyl h GLY 430 N -0.07 1.27 0.71 8.32 0.00 -1.55 -1.06 103.07 110.70 2pyl h GLY 430 Ca 0.13 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.16 2pyl h GLY 430 CO -0.30 0.17 0.01 -2.08 0.00 0.00 0.00 176.54 174.34 2pyl h VAL 431 N 0.84 0.87 0.00 4.60 2.07 -0.86 -2.83 116.25 120.93 2pyl h VAL 431 Ca 0.39 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.84 2pyl h VAL 431 Cb 0.30 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2pyl h VAL 431 CO -0.22 0.02 -0.57 -0.26 0.02 0.00 0.00 177.57 176.55 2pyl h PHE 432 N 0.08 0.00 0.07 1.57 -1.00 -1.20 -2.54 116.94 113.92 2pyl h PHE 432 Ca 0.10 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 2pyl h PHE 432 Cb 0.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.67 2pyl h PHE 432 CO -0.17 0.16 -0.03 0.82 -1.61 0.00 0.00 178.31 177.48 2pyl h ILE 433 N 0.00 1.15 -0.22 -0.55 2.04 -1.17 -0.33 117.51 118.43 2pyl h ILE 433 Ca -0.02 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 2pyl h ILE 433 Cb 1.14 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2pyl h ILE 433 CO 0.02 0.20 -0.16 0.71 0.00 0.00 0.00 178.15 178.92 2pyl h THR 434 N -0.47 1.22 0.22 -0.27 1.35 -1.58 -1.84 112.91 111.54 2pyl h THR 434 Ca -0.01 -1.01 -0.01 0.00 -0.55 0.00 0.00 66.41 64.83 2pyl h THR 434 Cb 0.41 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2pyl h THR 434 CO 0.02 0.32 -0.10 0.00 -0.25 0.00 0.00 175.52 175.50 2pyl h ALA 435 N 1.49 -0.29 0.00 6.62 0.00 -1.44 0.26 119.26 125.90 2pyl h ALA 435 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2pyl h ALA 435 Cb 0.50 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2pyl h ALA 435 CO 0.03 -0.57 -0.08 -1.49 0.00 0.00 0.00 179.25 177.14 2pyl h TRP 436 N -0.49 0.00 0.02 0.00 4.06 -0.96 -1.44 115.95 117.16 2pyl h TRP 436 Ca -0.03 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.69 2pyl h TRP 436 Cb 0.37 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.55 2pyl h TRP 436 CO -0.01 0.08 -0.90 0.00 -3.56 0.00 0.00 178.44 174.06 2pyl h ALA 437 N 1.92 0.08 -0.62 1.49 0.00 -1.13 -1.34 119.26 119.65 2pyl h ALA 437 Ca -0.00 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.26 2pyl h ALA 437 Cb 0.16 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2pyl h ALA 437 CO 0.01 0.55 0.40 0.00 0.00 0.00 0.00 179.25 180.21 2pyl h ARG 438 N 0.16 0.79 0.19 0.00 3.08 -0.70 -1.51 114.38 116.39 2pyl h ARG 438 Ca -0.12 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.89 2pyl h ARG 438 Cb 1.59 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 2pyl h ARG 438 CO 0.18 0.52 -0.30 -0.92 -1.07 0.00 0.00 179.97 178.38 2pyl h TYR 439 N 0.82 -0.81 -0.48 3.04 3.20 -1.24 0.22 116.97 121.72 2pyl h TYR 439 Ca 0.23 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.21 2pyl h TYR 439 Cb -0.07 0.33 -0.10 0.00 1.54 0.00 0.00 36.73 38.44 2pyl h TYR 439 CO -0.04 -0.42 -0.23 1.15 -1.64 0.00 0.00 178.16 176.99 2pyl h THR 440 N -0.57 0.34 -0.09 1.81 2.02 -1.01 -1.65 112.91 113.76 2pyl h THR 440 Ca 0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.08 2pyl h THR 440 Cb 0.56 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2pyl h THR 440 CO -0.13 0.00 -0.40 0.74 0.37 0.00 0.00 175.52 176.10 2pyl h THR 441 N -0.13 1.40 -0.51 3.16 2.02 -1.03 -3.09 112.91 114.73 2pyl h THR 441 Ca 0.22 -1.77 -0.12 0.00 0.77 0.00 0.00 66.41 65.51 2pyl h THR 441 Cb 0.47 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 2pyl h THR 441 CO -0.56 0.52 -0.14 0.40 0.37 0.00 0.00 175.52 176.11 2pyl h ILE 442 N -0.02 1.27 -0.17 3.11 2.04 -0.47 -1.40 117.51 121.87 2pyl h ILE 442 Ca -0.03 -1.30 -0.10 0.00 1.00 0.00 0.00 64.86 64.43 2pyl h ILE 442 Cb 1.05 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2pyl h ILE 442 CO 0.08 0.45 -0.34 0.71 0.00 0.00 0.00 178.15 179.06 2pyl h THR 443 N 0.88 1.29 -0.16 -0.27 1.35 -1.38 0.16 112.91 114.77 2pyl h THR 443 Ca 0.13 -1.40 -0.11 0.00 -0.55 0.00 0.00 66.41 64.48 2pyl h THR 443 Cb 0.71 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2pyl h THR 443 CO 0.05 0.43 -0.35 0.00 -0.25 0.00 0.00 175.52 175.41 2pyl h ALA 444 N 1.35 0.26 -0.62 6.62 0.00 -1.44 -1.12 119.26 124.31 2pyl h ALA 444 Ca 0.04 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.55 2pyl h ALA 444 Cb 0.75 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2pyl h ALA 444 CO 0.06 0.32 0.37 0.00 0.00 0.00 0.00 179.25 180.00 2pyl h ALA 445 N 0.56 0.81 -0.38 0.00 0.00 -1.00 -2.45 119.26 116.81 2pyl h ALA 445 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2pyl h ALA 445 Cb 0.95 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2pyl h ALA 445 CO 0.08 0.10 -0.12 0.37 0.00 0.00 0.00 179.25 179.68 2pyl h GLN 446 N 0.73 0.66 0.00 0.00 5.75 -0.64 -2.41 115.11 119.20 2pyl h GLN 446 Ca 0.25 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 2pyl h GLN 446 Cb 0.05 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 2pyl h GLN 446 CO -0.12 0.76 -0.24 0.00 -2.65 0.00 0.00 178.83 176.59 2pyl h ALA 447 N 1.27 1.24 -0.65 3.38 0.00 -0.92 -2.84 119.26 120.74 2pyl h ALA 447 Ca 0.11 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 2pyl h ALA 447 Cb 0.56 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.15 2pyl h ALA 447 CO 0.03 0.30 0.26 0.00 0.00 0.00 0.00 179.25 179.84 2pyl h TYR 449 N 1.60 0.12 0.00 0.00 3.20 -1.20 0.19 116.97 120.87 2pyl h TYR 449 Ca 0.33 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.26 2pyl h TYR 449 Cb 2.21 0.09 0.00 0.00 1.54 0.00 0.00 36.73 40.56 2pyl h TYR 449 CO 1.22 -0.28 0.00 0.38 -1.64 0.00 0.00 178.16 177.84 2pyl h ASP 450 N 0.12 0.00 0.00 -2.11 -0.00 -1.88 -3.20 116.42 109.35 2pyl h ASP 450 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.55 2pyl h ASP 450 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.35 2pyl h ASP 450 CO -0.73 0.00 -0.53 0.54 -0.00 0.00 0.00 179.24 178.52 2pyl n ARG 451 N -2.90 3.71 -1.69 4.15 1.74 0.42 -5.00 116.66 117.09 2pyl n ARG 451 Ca -0.01 -0.01 -0.44 0.00 -0.77 0.00 0.00 57.85 56.62 2pyl n ARG 451 Cb 0.17 -0.81 -0.04 0.00 -1.02 0.00 0.00 32.46 30.76 2pyl n ARG 451 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 2pyl n ILE 452 N -1.28 0.25 -0.12 0.55 0.13 0.21 -1.62 119.36 117.48 2pyl n ILE 452 Ca 0.00 -0.04 -0.19 0.00 -1.10 0.00 0.00 62.75 61.41 2pyl n ILE 452 Cb 0.06 -1.91 -0.10 0.00 -0.84 0.00 0.00 39.64 36.85 2pyl n ILE 452 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 2pyl n ILE 453 N 4.33 1.32 -3.62 9.51 5.41 0.70 -4.85 119.36 132.16 2pyl n ILE 453 Ca 0.18 -0.45 -0.10 0.00 1.00 0.00 0.00 62.75 63.38 2pyl n ILE 453 Cb 0.34 -1.48 -0.06 0.00 -0.71 0.00 0.00 39.64 37.72 2pyl n ILE 453 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 2pyl s TYR 454 N -2.45 -0.48 -0.01 1.39 5.04 -1.17 -1.85 117.35 117.82 2pyl s TYR 454 Ca -0.32 1.08 0.03 0.00 -2.44 0.00 0.00 57.07 55.42 2pyl s TYR 454 Cb 0.10 0.38 -0.01 0.00 0.35 0.00 0.00 41.96 42.78 2pyl s TYR 454 CO 0.49 -0.29 -0.09 0.00 -1.34 0.00 0.00 175.55 174.32 2pyl s ASP 456 N -0.15 3.26 0.00 0.00 -1.08 -1.20 -0.93 116.67 116.57 2pyl s ASP 456 Ca 0.02 -1.88 0.00 0.00 -0.52 0.00 0.00 52.55 50.17 2pyl s ASP 456 Cb -0.04 -0.45 0.00 0.00 -1.46 0.00 0.00 42.92 40.97 2pyl s ASP 456 CO -0.00 -0.36 0.00 0.41 0.52 0.00 0.00 175.17 175.74 2pyl n THR 457 N 4.46 0.00 -1.22 1.71 -1.04 0.49 -3.64 114.28 115.04 2pyl n THR 457 Ca 0.05 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.13 2pyl n THR 457 Cb 0.39 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 68.99 2pyl n THR 457 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2pyl n ASP 458 N 3.05 1.75 -3.74 8.00 3.85 -1.26 -4.69 116.55 123.50 2pyl n ASP 458 Ca 0.00 -2.74 -0.13 0.00 -0.71 0.00 0.00 54.79 51.21 2pyl n ASP 458 Cb 0.00 -0.34 -0.09 0.00 -1.35 0.00 0.00 41.12 39.33 2pyl n ASP 458 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2pyl s SER 459 N -2.28 -0.28 -0.06 -1.12 1.04 -1.24 -0.05 113.70 109.70 2pyl s SER 459 Ca 0.22 0.36 0.03 0.00 0.48 0.00 0.00 55.95 57.04 2pyl s SER 459 Cb 0.19 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2pyl s SER 459 CO 0.02 -0.34 -0.15 0.27 0.98 0.00 0.00 173.24 174.02 2pyl s ILE 460 N -0.75 1.34 -0.22 -1.02 -4.36 -0.35 -3.24 121.20 112.59 2pyl s ILE 460 Ca -0.08 -0.63 -0.07 0.00 -0.26 0.00 0.00 60.65 59.61 2pyl s ILE 460 Cb -0.04 -1.18 -0.03 0.00 1.25 0.00 0.00 42.46 42.46 2pyl s ILE 460 CO 0.03 0.39 0.05 -1.00 0.24 0.00 0.00 174.94 174.66 2pyl s HIS 461 N 0.34 3.11 0.16 1.37 3.76 0.20 -0.77 115.29 123.45 2pyl s HIS 461 Ca -0.10 -0.29 0.11 0.00 -0.15 0.00 0.00 55.06 54.62 2pyl s HIS 461 Cb -0.14 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 2pyl s HIS 461 CO 0.03 -0.20 -0.24 -0.51 -0.85 0.00 0.00 174.74 172.97 2pyl s LEU 462 N 1.18 2.38 0.56 0.89 1.43 0.54 -0.21 118.68 125.45 2pyl s LEU 462 Ca 0.04 -0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 52.17 2pyl s LEU 462 Cb -0.14 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 2pyl s LEU 462 CO 0.03 0.12 1.04 0.42 0.23 0.00 0.00 176.35 178.18 2pyl s THR 463 N -1.45 4.00 0.09 5.49 -4.23 -0.64 -0.98 115.64 117.92 2pyl s THR 463 Ca 0.16 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 2pyl s THR 463 Cb -0.09 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.28 2pyl s THR 463 CO 0.08 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 2pyl n GLY 464 N -1.07 -1.69 0.00 3.99 0.00 -0.06 -4.73 105.19 101.62 2pyl n GLY 464 Ca 0.08 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2pyl n GLY 464 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pyl n THR 465 N -2.20 0.17 -4.11 2.61 -2.24 -1.26 -3.12 114.28 104.11 2pyl n THR 465 Ca -0.00 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.05 2pyl n THR 465 Cb 0.15 1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 69.50 2pyl n THR 465 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pyl s GLU 466 N -0.17 3.06 0.08 -0.78 0.41 -1.26 -5.01 118.70 115.04 2pyl s GLU 466 Ca 0.00 -0.48 -0.31 0.00 -0.41 0.00 0.00 54.97 53.78 2pyl s GLU 466 Cb 0.00 -2.86 -0.08 0.00 -1.78 0.00 0.00 34.13 29.41 2pyl s GLU 466 CO 0.00 0.65 1.57 0.42 -0.49 0.00 0.00 175.26 177.41 2pyl s ILE 467 N -1.17 3.09 0.35 -1.63 1.01 -1.26 -4.95 121.20 116.64 2pyl s ILE 467 Ca 0.22 0.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.20 2pyl s ILE 467 Cb -0.12 -3.40 -0.11 0.00 0.01 0.00 0.00 42.46 38.84 2pyl s ILE 467 CO 0.13 0.01 1.54 -2.65 0.00 0.00 0.00 174.94 173.97 2pyl n PRO 468 N 5.10 2.70 0.24 2.79 -0.02 -1.26 -4.88 135.00 139.67 2pyl n PRO 468 Ca 0.15 0.95 0.07 0.00 -2.02 0.00 0.00 63.50 62.65 2pyl n PRO 468 Cb 0.41 -2.71 0.59 0.00 -0.02 0.00 0.00 33.50 31.77 2pyl n PRO 468 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2pyl h ASP 469 N 3.68 0.00 0.59 2.55 3.32 -2.00 -2.71 116.42 121.84 2pyl h ASP 469 Ca -0.49 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 2pyl h ASP 469 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2pyl h ASP 469 CO 0.70 0.11 -0.19 1.62 -1.72 0.00 0.00 179.24 179.77 2pyl h VAL 470 N 0.00 0.61 -0.15 -1.35 3.04 -1.94 -3.09 116.25 113.38 2pyl h VAL 470 Ca -0.00 -0.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 2pyl h VAL 470 Cb 0.21 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 2pyl h VAL 470 CO 0.01 0.18 0.00 2.30 -1.01 0.00 0.00 177.57 179.06 2pyl n ILE 471 N -3.56 0.37 -0.30 3.17 -5.35 -1.04 -4.74 119.36 107.90 2pyl n ILE 471 Ca -0.01 -0.69 0.14 0.00 -0.27 0.00 0.00 62.75 61.93 2pyl n ILE 471 Cb 0.33 0.97 0.39 0.00 -1.74 0.00 0.00 39.64 39.59 2pyl n ILE 471 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 2pyl h LYS 472 N 2.26 0.63 0.00 6.28 1.79 -1.41 -1.06 116.57 125.06 2pyl h LYS 472 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2pyl h LYS 472 Cb 0.59 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2pyl h LYS 472 CO 0.00 0.42 0.00 -0.25 -1.08 0.00 0.00 179.45 178.54 2pyl n ASP 473 N -4.62 0.00 -0.19 0.86 8.00 -1.26 -3.14 116.55 116.19 2pyl n ASP 473 Ca 0.20 0.10 0.06 0.00 0.71 0.00 0.00 54.79 55.86 2pyl n ASP 473 Cb 0.58 -0.36 0.10 0.00 -0.02 0.00 0.00 41.12 41.42 2pyl n ASP 473 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2pyl n ILE 474 N -1.36 1.52 -3.67 0.53 -5.35 -0.42 -4.99 119.36 105.62 2pyl n ILE 474 Ca 0.11 -1.64 -0.36 0.00 -0.27 0.00 0.00 62.75 60.60 2pyl n ILE 474 Cb 0.27 0.10 -0.07 0.00 -1.74 0.00 0.00 39.64 38.20 2pyl n ILE 474 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2pyl s VAL 475 N -2.00 5.36 -0.27 7.28 1.01 -1.10 -1.00 120.40 129.67 2pyl s VAL 475 Ca 0.21 0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 2pyl s VAL 475 Cb 0.17 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 33.10 2pyl s VAL 475 CO 0.04 0.47 0.85 -0.62 0.00 0.00 0.00 175.10 175.83 2pyl s ASP 476 N 0.01 -0.63 0.03 3.32 -1.08 0.16 -4.88 116.67 113.61 2pyl s ASP 476 Ca 0.14 1.21 0.20 0.00 -0.52 0.00 0.00 52.55 53.58 2pyl s ASP 476 Cb -0.12 1.23 0.84 0.00 -1.46 0.00 0.00 42.92 43.41 2pyl s ASP 476 CO 0.03 -0.21 1.64 -0.81 0.52 0.00 0.00 175.17 176.33 2pyl n PRO 477 N 2.50 0.03 0.00 4.34 -0.04 -1.26 -3.34 135.00 137.23 2pyl n PRO 477 Ca -0.13 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2pyl n PRO 477 Cb 0.55 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2pyl n PRO 477 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2pyl n LYS 478 N -1.60 0.22 -1.66 0.54 5.02 -1.26 -4.92 118.16 114.51 2pyl n LYS 478 Ca 0.04 0.00 -0.48 0.00 -2.02 0.00 0.00 58.31 55.85 2pyl n LYS 478 Cb 0.24 -0.60 -0.05 0.00 -0.02 0.00 0.00 35.03 34.60 2pyl n LYS 478 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pyl n LYS 479 N -1.44 1.89 -1.66 1.97 5.02 -1.26 -4.89 118.16 117.79 2pyl n LYS 479 Ca 0.00 0.69 -0.47 0.00 -2.02 0.00 0.00 58.31 56.50 2pyl n LYS 479 Cb 0.10 -2.44 -0.05 0.00 -0.02 0.00 0.00 35.03 32.62 2pyl n LYS 479 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2pyl n LEU 480 N 4.07 2.95 0.00 -0.35 7.94 -1.26 -1.88 117.00 128.47 2pyl n LEU 480 Ca 0.19 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 2pyl n LEU 480 Cb 0.26 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 42.83 2pyl n LEU 480 CO 0.66 -0.35 0.00 0.61 -1.11 0.00 0.00 177.39 177.20 2pyl n GLY 481 N 3.47 2.44 3.90 -3.96 0.00 -0.27 -4.98 105.19 105.79 2pyl n GLY 481 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2pyl n GLY 481 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pyl s TYR 482 N -2.23 3.31 -0.11 1.61 2.02 -0.79 -4.72 117.35 116.44 2pyl s TYR 482 Ca 0.00 0.90 -0.20 0.00 -0.37 0.00 0.00 57.07 57.40 2pyl s TYR 482 Cb 0.00 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.59 2pyl s TYR 482 CO 0.00 -1.02 0.58 -1.58 -1.57 0.00 0.00 175.55 171.96 2pyl s TRP 483 N -3.21 3.52 -0.19 2.71 0.52 -0.17 -0.86 118.94 121.26 2pyl s TRP 483 Ca 0.56 1.03 -0.12 0.00 0.02 0.00 0.00 56.10 57.59 2pyl s TRP 483 Cb -0.11 -2.68 -0.05 0.00 -1.15 0.00 0.00 33.47 29.49 2pyl s TRP 483 CO 0.49 0.09 0.24 0.00 0.02 0.00 0.00 176.95 177.79 2pyl s ALA 484 N 0.86 3.62 -0.55 0.98 0.00 0.31 0.40 121.76 127.38 2pyl s ALA 484 Ca 0.31 -0.58 -0.27 0.00 0.00 0.00 0.00 51.96 51.42 2pyl s ALA 484 Cb -0.16 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 2pyl s ALA 484 CO 0.13 0.04 1.95 -1.58 0.00 0.00 0.00 175.76 176.30 2pyl s HIS 485 N 0.58 1.58 -0.13 0.00 2.46 -1.26 0.10 115.29 118.62 2pyl s HIS 485 Ca 0.13 0.90 -0.20 0.00 0.47 0.00 0.00 55.06 56.36 2pyl s HIS 485 Cb -0.13 -4.01 -0.26 0.00 -0.13 0.00 0.00 32.58 28.06 2pyl s HIS 485 CO 0.02 -2.44 0.55 1.49 -2.47 0.00 0.00 174.74 171.90 2pyl h GLU 486 N 15.47 0.16 -3.67 2.88 4.81 -1.21 -3.49 114.58 129.53 2pyl h GLU 486 Ca -0.27 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 2pyl h GLU 486 Cb 1.18 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 30.55 2pyl h GLU 486 CO 1.18 1.13 -0.16 -1.54 -0.73 0.00 0.00 179.01 178.89 2pyl s SER 487 N -6.85 -0.08 -0.03 1.04 1.04 -1.19 -4.88 113.70 102.74 2pyl s SER 487 Ca -0.21 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.43 2pyl s SER 487 Cb 0.03 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2pyl s SER 487 CO 0.72 -1.04 -0.11 -0.89 0.98 0.00 0.00 173.24 172.90 2pyl s THR 488 N -3.97 0.98 0.14 2.02 2.01 -1.26 -1.51 115.64 114.04 2pyl s THR 488 Ca 0.18 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 61.80 2pyl s THR 488 Cb 0.01 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 2pyl s THR 488 CO 0.04 0.30 -0.06 0.72 -0.69 0.00 0.00 174.62 174.93 2pyl s PHE 489 N 0.21 2.78 -0.02 4.92 -0.12 0.09 -1.59 117.98 124.25 2pyl s PHE 489 Ca -0.04 -0.15 -0.17 0.00 -0.05 0.00 0.00 56.93 56.52 2pyl s PHE 489 Cb -0.10 -1.40 -0.33 0.00 -0.63 0.00 0.00 43.02 40.56 2pyl s PHE 489 CO 0.01 0.48 0.86 -0.22 -0.05 0.00 0.00 175.22 176.29 2pyl h LYS 490 N 3.20 0.41 -3.54 1.99 3.64 -0.42 -2.57 116.57 119.28 2pyl h LYS 490 Ca -0.48 -0.71 -0.06 0.00 -1.27 0.00 0.00 60.65 58.14 2pyl h LYS 490 Cb 1.18 0.26 -0.12 0.00 -0.41 0.00 0.00 32.23 33.15 2pyl h LYS 490 CO 0.55 1.34 -0.13 -0.98 -2.27 0.00 0.00 179.45 177.96 2pyl s ARG 491 N -2.53 1.19 0.18 1.90 1.70 -1.25 -2.41 118.95 117.73 2pyl s ARG 491 Ca -0.13 -0.93 -0.17 0.00 -0.47 0.00 0.00 55.73 54.03 2pyl s ARG 491 Cb 0.03 0.45 0.03 0.00 -0.57 0.00 0.00 34.95 34.90 2pyl s ARG 491 CO 0.88 -0.47 0.49 0.00 -1.08 0.00 0.00 175.30 175.12 2pyl s ALA 492 N -3.88 -0.94 -0.15 7.88 0.00 -0.44 -1.30 121.76 122.93 2pyl s ALA 492 Ca 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 2pyl s ALA 492 Cb 0.01 0.82 0.07 0.00 0.00 0.00 0.00 23.12 24.03 2pyl s ALA 492 CO -0.05 -0.76 0.25 0.21 0.00 0.00 0.00 175.76 175.41 2pyl s LYS 493 N -3.85 0.15 -0.28 0.00 2.20 -0.86 -0.44 119.74 116.66 2pyl s LYS 493 Ca 0.08 0.57 -0.08 0.00 -0.36 0.00 0.00 55.97 56.18 2pyl s LYS 493 Cb -0.00 -0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 35.91 2pyl s LYS 493 CO -0.05 -0.40 0.11 0.71 -0.36 0.00 0.00 175.35 175.35 2pyl s TYR 494 N 2.39 3.14 -0.05 4.03 1.51 -1.26 -1.39 117.35 125.71 2pyl s TYR 494 Ca 0.04 -0.53 0.06 0.00 -1.01 0.00 0.00 57.07 55.62 2pyl s TYR 494 Cb -0.13 -2.29 -0.24 0.00 -0.11 0.00 0.00 41.96 39.18 2pyl s TYR 494 CO -0.09 -0.42 0.62 -0.07 -1.11 0.00 0.00 175.55 174.48 2pyl h LEU 495 N 8.29 0.15 0.00 -1.29 3.38 -1.34 0.23 115.31 124.73 2pyl h LEU 495 Ca -0.35 -0.32 0.28 0.00 0.09 0.00 0.00 57.88 57.58 2pyl h LEU 495 Cb 1.16 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 2pyl h LEU 495 CO 0.59 1.28 0.72 -2.11 0.09 0.00 0.00 178.44 179.01 2pyl n ARG 496 N -3.21 0.13 -1.65 1.13 1.85 -1.18 -4.40 116.66 109.34 2pyl n ARG 496 Ca -0.20 -0.59 -0.46 0.00 -1.00 0.00 0.00 57.85 55.60 2pyl n ARG 496 Cb 1.05 0.99 -0.03 0.00 -1.05 0.00 0.00 32.46 33.41 2pyl n ARG 496 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2pyl n GLN 497 N -0.73 1.82 -1.80 2.89 6.02 -1.26 -2.46 117.38 121.87 2pyl n GLN 497 Ca 0.04 0.65 -0.17 0.00 -0.01 0.00 0.00 57.00 57.51 2pyl n GLN 497 Cb 0.45 -2.27 -0.05 0.00 1.02 0.00 0.00 30.24 29.40 2pyl n GLN 497 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2pyl n LYS 498 N 1.97 -1.56 -3.44 -1.09 5.02 -1.26 -4.84 118.16 112.96 2pyl n LYS 498 Ca 0.12 0.92 -0.26 0.00 -2.02 0.00 0.00 58.31 57.08 2pyl n LYS 498 Cb 0.30 -5.34 -0.11 0.00 -0.02 0.00 0.00 35.03 29.86 2pyl n LYS 498 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2pyl s THR 499 N -2.55 -0.00 0.16 -0.18 2.01 -1.03 -1.18 115.64 112.87 2pyl s THR 499 Ca 0.00 -1.46 -0.22 0.00 0.31 0.00 0.00 61.69 60.32 2pyl s THR 499 Cb 0.00 -0.99 0.06 0.00 0.01 0.00 0.00 72.50 71.58 2pyl s THR 499 CO 0.00 -0.87 0.59 -0.72 -0.69 0.00 0.00 174.62 172.93 2pyl s TYR 500 N 1.24 -0.49 0.07 4.92 -0.85 0.11 -0.86 117.35 121.49 2pyl s TYR 500 Ca 0.17 0.26 0.05 0.00 -0.52 0.00 0.00 57.07 57.03 2pyl s TYR 500 Cb -0.21 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.65 2pyl s TYR 500 CO -0.03 -0.86 -0.14 0.96 -1.52 0.00 0.00 175.55 173.97 2pyl s ILE 501 N -3.76 1.07 -0.02 -3.49 -4.36 -0.48 -0.57 121.20 109.58 2pyl s ILE 501 Ca 0.02 -1.25 -0.03 0.00 -0.26 0.00 0.00 60.65 59.13 2pyl s ILE 501 Cb -0.01 -1.03 0.00 0.00 1.25 0.00 0.00 42.46 42.67 2pyl s ILE 501 CO -0.12 -0.21 0.07 -1.10 0.24 0.00 0.00 174.94 173.83 2pyl s GLN 502 N -1.65 0.21 -0.57 0.37 -0.21 -0.22 -2.04 119.66 115.56 2pyl s GLN 502 Ca -0.02 -0.12 -0.16 0.00 0.02 0.00 0.00 55.36 55.08 2pyl s GLN 502 Cb -0.10 0.09 0.14 0.00 1.00 0.00 0.00 33.01 34.14 2pyl s GLN 502 CO 0.02 -0.04 0.53 -0.51 -2.12 0.00 0.00 175.29 173.17 2pyl s ASP 503 N -0.52 6.24 -0.03 5.90 1.01 -0.42 -0.64 116.67 128.22 2pyl s ASP 503 Ca -0.06 -1.86 -0.18 0.00 0.71 0.00 0.00 52.55 51.16 2pyl s ASP 503 Cb -0.04 -2.21 -0.05 0.00 1.01 0.00 0.00 42.92 41.63 2pyl s ASP 503 CO 0.00 -0.84 0.50 -0.63 0.21 0.00 0.00 175.17 174.41 2pyl s ILE 504 N 1.51 5.01 -0.14 0.77 1.01 0.44 0.33 121.20 130.13 2pyl s ILE 504 Ca 0.05 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.43 2pyl s ILE 504 Cb -0.28 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2pyl s ILE 504 CO 0.02 0.45 1.50 -0.31 0.00 0.00 0.00 174.94 176.60 2pyl s TYR 505 N -0.30 2.32 0.25 3.97 1.51 -0.62 -0.77 117.35 123.70 2pyl s TYR 505 Ca 0.27 0.56 0.11 0.00 -1.01 0.00 0.00 57.07 57.01 2pyl s TYR 505 Cb -0.17 -3.79 -0.05 0.00 -0.11 0.00 0.00 41.96 37.84 2pyl s TYR 505 CO 0.14 -2.87 -0.19 -1.64 -1.11 0.00 0.00 175.55 169.88 2pyl s MET 506 N 4.00 1.69 0.03 -0.62 -1.94 0.59 -0.56 119.30 122.49 2pyl s MET 506 Ca 0.66 -1.64 -0.01 0.00 -1.71 0.00 0.00 55.69 52.99 2pyl s MET 506 Cb -0.27 -1.84 -0.02 0.00 2.01 0.00 0.00 34.83 34.70 2pyl s MET 506 CO 0.24 0.36 -0.00 -1.59 -0.01 0.00 0.00 175.02 174.02 2pyl s LYS 507 N -3.21 0.46 0.12 2.03 -2.85 0.26 -0.75 119.74 115.80 2pyl s LYS 507 Ca 0.27 -0.82 -0.11 0.00 -1.00 0.00 0.00 55.97 54.31 2pyl s LYS 507 Cb -0.06 0.16 -0.06 0.00 -2.06 0.00 0.00 37.83 35.81 2pyl s LYS 507 CO 0.14 -0.09 0.45 -2.00 0.10 0.00 0.00 175.35 173.95 2pyl s GLU 508 N -2.43 3.81 0.00 1.78 2.12 -1.26 0.93 118.70 123.65 2pyl s GLU 508 Ca -0.07 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.51 2pyl s GLU 508 Cb -0.03 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.43 2pyl s GLU 508 CO -0.04 0.51 0.00 1.55 -0.54 0.00 0.00 175.26 176.73 2pyl n VAL 509 N 0.72 0.00 -3.29 3.70 3.14 -0.40 -4.89 118.33 117.30 2pyl n VAL 509 Ca -0.06 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 60.94 2pyl n VAL 509 Cb 0.52 -0.12 -0.03 0.00 -1.06 0.00 0.00 33.84 33.15 2pyl n VAL 509 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2pyl n ASP 510 N 0.00 5.18 0.00 6.55 8.00 -1.26 -4.77 116.55 130.25 2pyl n ASP 510 Ca 0.00 -3.31 0.00 0.00 0.71 0.00 0.00 54.79 52.19 2pyl n ASP 510 Cb 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 2pyl n ASP 510 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pyl n GLY 511 N 1.60 0.09 3.37 0.44 0.00 -1.26 -4.96 105.19 104.48 2pyl n GLY 511 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 2pyl n GLY 511 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pyl s LYS 512 N -1.52 2.89 -0.11 1.61 1.02 -1.26 -5.10 119.74 117.28 2pyl s LYS 512 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 54.95 2pyl s LYS 512 Cb 0.00 -2.43 -0.02 0.00 -0.52 0.00 0.00 37.83 34.87 2pyl s LYS 512 CO 0.00 0.38 1.11 -0.51 -0.92 0.00 0.00 175.35 175.41 2pyl s LEU 513 N -0.12 4.23 0.11 3.17 1.43 -1.26 -1.28 118.68 124.96 2pyl s LEU 513 Ca -0.02 1.63 0.08 0.00 -1.03 0.00 0.00 54.13 54.79 2pyl s LEU 513 Cb -0.14 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2pyl s LEU 513 CO 0.04 -0.56 -0.20 -0.69 0.23 0.00 0.00 176.35 175.16 2pyl s VAL 514 N 2.42 1.72 0.16 -1.59 1.01 0.27 -4.92 120.40 119.46 2pyl s VAL 514 Ca 0.51 -1.59 -0.32 0.00 0.00 0.00 0.00 61.98 60.58 2pyl s VAL 514 Cb -0.20 -1.59 -0.12 0.00 0.00 0.00 0.00 36.38 34.47 2pyl s VAL 514 CO 0.17 -0.10 1.78 -0.62 0.00 0.00 0.00 175.10 176.33 2pyl n GLU 515 N 0.98 2.74 -1.88 2.72 4.71 -1.26 0.92 120.64 129.57 2pyl n GLU 515 Ca -0.19 0.99 0.00 0.00 -0.01 0.00 0.00 57.16 57.96 2pyl n GLU 515 Cb 0.54 -2.86 0.00 0.00 -1.01 0.00 0.00 31.44 28.11 2pyl n GLU 515 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2pyl n GLY 516 N 4.07 4.38 3.59 0.62 0.00 0.27 -4.72 105.19 113.42 2pyl n GLY 516 Ca 0.17 -2.13 -0.27 0.00 0.00 0.00 0.00 46.02 43.80 2pyl n GLY 516 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pyl s SER 517 N -0.88 3.86 0.50 1.61 1.04 -0.84 -4.37 113.70 114.61 2pyl s SER 517 Ca 0.00 -1.25 0.27 0.00 0.48 0.00 0.00 55.95 55.45 2pyl s SER 517 Cb 0.00 -0.39 1.47 0.00 0.10 0.00 0.00 66.02 67.20 2pyl s SER 517 CO 0.00 -0.32 1.80 -0.65 0.98 0.00 0.00 173.24 175.05 2pyl h PRO 518 N 1.88 0.00 0.00 4.02 0.11 -1.96 -2.29 132.00 133.76 2pyl h PRO 518 Ca -0.43 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.55 2pyl h PRO 518 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 2pyl h PRO 518 CO 0.75 0.00 -1.76 -0.40 -0.21 0.00 0.00 178.00 176.38 2pyl n ASP 519 N -2.56 1.93 -3.76 -2.05 5.68 -1.26 -4.76 116.55 109.76 2pyl n ASP 519 Ca -0.02 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 53.94 2pyl n ASP 519 Cb 0.21 1.13 -0.06 0.00 -1.14 0.00 0.00 41.12 41.26 2pyl n ASP 519 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2pyl n ASP 520 N -2.26 4.39 -3.79 -1.12 2.03 -0.87 -5.02 116.55 109.91 2pyl n ASP 520 Ca -0.13 -3.34 -0.13 0.00 0.52 0.00 0.00 54.79 51.71 2pyl n ASP 520 Cb 0.68 -0.90 -0.09 0.00 -0.72 0.00 0.00 41.12 40.09 2pyl n ASP 520 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2pyl s TYR 521 N -2.20 -0.13 -0.00 -0.67 -0.85 -1.19 -1.99 117.35 110.32 2pyl s TYR 521 Ca 0.34 0.21 0.00 0.00 -0.52 0.00 0.00 57.07 57.10 2pyl s TYR 521 Cb 0.06 0.06 -0.00 0.00 0.38 0.00 0.00 41.96 42.45 2pyl s TYR 521 CO -0.03 -0.33 0.00 0.25 -1.52 0.00 0.00 175.55 173.92 2pyl n THR 522 N 1.53 0.01 -4.23 -3.49 -2.24 0.08 -4.97 114.28 100.96 2pyl n THR 522 Ca -0.21 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 2pyl n THR 522 Cb 0.56 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 2pyl n THR 522 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2pyl s ASP 523 N -2.46 1.57 -0.19 3.42 1.11 -0.58 -5.01 116.67 114.53 2pyl s ASP 523 Ca -0.00 -1.02 0.01 0.00 0.18 0.00 0.00 52.55 51.72 2pyl s ASP 523 Cb 0.00 0.03 0.03 0.00 1.07 0.00 0.00 42.92 44.05 2pyl s ASP 523 CO 0.01 -0.38 -0.15 -0.63 1.18 0.00 0.00 175.17 175.20 2pyl s ILE 524 N -3.43 1.85 -0.21 0.77 -1.09 -1.26 -0.30 121.20 117.52 2pyl s ILE 524 Ca 0.15 -0.96 -0.15 0.00 -2.23 0.00 0.00 60.65 57.46 2pyl s ILE 524 Cb 0.04 -1.78 -0.04 0.00 -1.58 0.00 0.00 42.46 39.10 2pyl s ILE 524 CO -0.01 0.36 0.37 -0.75 -1.23 0.00 0.00 174.94 173.68 2pyl s LYS 525 N 1.34 4.15 -0.28 2.79 2.20 0.05 -4.88 119.74 125.11 2pyl s LYS 525 Ca 0.02 0.13 -0.27 0.00 -0.36 0.00 0.00 55.97 55.48 2pyl s LYS 525 Cb -0.15 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 2pyl s LYS 525 CO -0.10 -0.05 0.96 0.12 -0.36 0.00 0.00 175.35 175.92 2pyl s PHE 526 N 1.36 3.25 -0.09 4.03 5.36 -1.26 -0.42 117.98 130.20 2pyl s PHE 526 Ca 0.17 1.19 0.03 0.00 -0.96 0.00 0.00 56.93 57.36 2pyl s PHE 526 Cb -0.15 -3.36 -0.01 0.00 -0.34 0.00 0.00 43.02 39.16 2pyl s PHE 526 CO 0.08 -0.58 -0.18 0.45 -1.46 0.00 0.00 175.22 173.54 2pyl s SER 527 N 1.46 3.68 -0.16 6.13 0.15 0.19 -5.00 113.70 120.14 2pyl s SER 527 Ca 0.40 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.70 2pyl s SER 527 Cb -0.14 -1.23 0.01 0.00 -1.71 0.00 0.00 66.02 62.95 2pyl s SER 527 CO 0.11 0.23 -0.20 -0.69 1.20 0.00 0.00 173.24 173.89 2pyl s VAL 528 N -0.03 2.21 -0.21 4.45 1.01 -1.26 -1.06 120.40 125.52 2pyl s VAL 528 Ca -0.05 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2pyl s VAL 528 Cb -0.14 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.35 2pyl s VAL 528 CO 0.04 0.54 -0.15 -0.54 0.00 0.00 0.00 175.10 174.99 2pyl s LYS 529 N 0.99 2.77 -0.28 2.72 -0.14 0.26 -5.03 119.74 121.04 2pyl s LYS 529 Ca -0.02 -0.99 0.02 0.00 -1.36 0.00 0.00 55.97 53.62 2pyl s LYS 529 Cb -0.15 -2.73 0.17 0.00 -1.68 0.00 0.00 37.83 33.44 2pyl s LYS 529 CO -0.05 -0.34 0.47 0.00 -0.76 0.00 0.00 175.35 174.68 2pyl n ALA 531 N 5.38 -0.33 0.00 0.00 0.00 -0.33 -1.51 120.51 123.73 2pyl n ALA 531 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2pyl n ALA 531 Cb 0.51 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2pyl n ALA 531 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pyl n GLY 532 N 2.99 3.06 3.65 0.00 0.00 -1.26 -5.02 105.19 108.62 2pyl n GLY 532 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2pyl n GLY 532 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pyl s MET 533 N -0.29 4.17 0.65 1.61 0.00 -0.57 -5.02 119.30 119.85 2pyl s MET 533 Ca 0.00 1.40 -0.11 0.00 0.00 0.00 0.00 55.69 56.98 2pyl s MET 533 Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 34.83 31.08 2pyl s MET 533 CO 0.00 -0.78 1.04 0.95 0.00 0.00 0.00 175.02 176.24 2pyl s THR 534 N 3.56 4.38 0.39 10.11 -4.23 -1.26 -4.86 115.64 123.73 2pyl s THR 534 Ca 0.50 0.77 0.06 0.00 -1.18 0.00 0.00 61.69 61.84 2pyl s THR 534 Cb -0.17 -3.66 0.27 0.00 1.34 0.00 0.00 72.50 70.27 2pyl s THR 534 CO 0.13 -1.01 2.03 0.44 -0.54 0.00 0.00 174.62 175.67 2pyl h ASP 535 N -0.50 0.57 -0.47 3.99 3.32 -1.97 -2.15 116.42 119.22 2pyl h ASP 535 Ca -0.44 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.52 2pyl h ASP 535 Cb 1.20 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 2pyl h ASP 535 CO 0.60 0.41 -0.01 0.50 -1.72 0.00 0.00 179.24 179.02 2pyl h LYS 536 N 0.67 0.89 -0.22 3.56 3.64 -1.93 -2.95 116.57 120.23 2pyl h LYS 536 Ca 0.20 -0.26 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 2pyl h LYS 536 Cb -0.03 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2pyl h LYS 536 CO -0.05 0.89 -0.53 0.82 -2.27 0.00 0.00 179.45 178.31 2pyl h ILE 537 N 0.83 1.31 -0.49 2.00 2.04 -1.71 -3.13 117.51 118.36 2pyl h ILE 537 Ca 0.15 -1.76 0.09 0.00 1.00 0.00 0.00 64.86 64.34 2pyl h ILE 537 Cb 0.50 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2pyl h ILE 537 CO 0.02 0.56 0.33 0.11 0.00 0.00 0.00 178.15 179.17 2pyl h LYS 538 N 0.49 0.29 0.00 2.37 1.57 -1.26 0.23 116.57 120.26 2pyl h LYS 538 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pyl h LYS 538 Cb 1.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2pyl h LYS 538 CO 0.11 0.19 0.00 0.87 -0.57 0.00 0.00 179.45 180.05 2pyl h LYS 539 N 0.30 0.00 0.00 3.15 1.57 -1.47 -2.68 116.57 117.43 2pyl h LYS 539 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2pyl h LYS 539 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2pyl h LYS 539 CO -0.05 0.00 -0.45 0.39 -0.57 0.00 0.00 179.45 178.77 2pyl n GLU 540 N -2.39 0.13 -2.84 3.15 -0.58 0.07 -4.92 120.64 113.26 2pyl n GLU 540 Ca 0.01 0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.38 2pyl n GLU 540 Cb 0.22 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.47 2pyl n GLU 540 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2pyl s VAL 541 N -3.07 4.90 0.35 2.62 1.01 -1.01 -5.00 120.40 120.20 2pyl s VAL 541 Ca 0.10 1.79 0.09 0.00 0.00 0.00 0.00 61.98 63.96 2pyl s VAL 541 Cb 0.16 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2pyl s VAL 541 CO 0.68 0.13 0.01 0.42 0.00 0.00 0.00 175.10 176.33 2pyl s THR 542 N 1.40 2.50 0.41 3.92 -4.23 -1.26 -5.03 115.64 113.35 2pyl s THR 542 Ca 0.44 -1.99 0.13 0.00 -1.18 0.00 0.00 61.69 59.08 2pyl s THR 542 Cb -0.19 -2.80 0.33 0.00 1.34 0.00 0.00 72.50 71.19 2pyl s THR 542 CO 0.20 -0.17 1.93 -0.26 -0.54 0.00 0.00 174.62 175.77 2pyl h PHE 543 N 1.82 0.58 -0.14 3.99 -1.00 -1.96 -2.57 116.94 117.64 2pyl h PHE 543 Ca -0.43 0.02 -0.20 0.00 2.81 0.00 0.00 57.97 60.17 2pyl h PHE 543 Cb 1.25 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.63 2pyl h PHE 543 CO 0.71 0.24 -0.72 0.93 -1.61 0.00 0.00 178.31 177.86 2pyl h GLU 544 N 0.52 0.65 -0.11 1.51 3.07 -2.00 -3.32 114.58 114.89 2pyl h GLU 544 Ca 0.36 -0.51 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 2pyl h GLU 544 Cb 0.68 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 2pyl h GLU 544 CO -0.13 1.13 0.00 0.27 -1.40 0.00 0.00 179.01 178.88 2pyl n ASN 545 N -3.91 2.77 -4.54 1.42 0.23 -1.14 -4.78 115.26 105.31 2pyl n ASN 545 Ca -0.06 -1.90 -0.43 0.00 -0.53 0.00 0.00 54.58 51.67 2pyl n ASN 545 Cb 0.71 -0.06 -0.01 0.00 -2.08 0.00 0.00 39.78 38.34 2pyl n ASN 545 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2pyl s PHE 546 N -1.88 2.89 0.28 -2.53 5.36 -0.98 -4.56 117.98 116.54 2pyl s PHE 546 Ca 0.32 -1.52 -0.14 0.00 -0.96 0.00 0.00 56.93 54.63 2pyl s PHE 546 Cb 0.21 -4.62 0.01 0.00 -0.34 0.00 0.00 43.02 38.27 2pyl s PHE 546 CO 0.31 -1.74 0.57 -1.59 -1.46 0.00 0.00 175.22 171.31 2pyl s LYS 547 N 3.78 1.71 0.20 10.12 -2.85 -1.26 -5.02 119.74 126.42 2pyl s LYS 547 Ca 0.48 -1.25 -0.32 0.00 -1.00 0.00 0.00 55.97 53.89 2pyl s LYS 547 Cb 0.01 0.52 -0.12 0.00 -2.06 0.00 0.00 37.83 36.18 2pyl s LYS 547 CO 0.01 -0.74 1.72 0.08 0.10 0.00 0.00 175.35 176.52 2pyl s VAL 548 N -3.74 2.06 0.00 1.79 1.01 -1.26 -2.06 120.40 118.19 2pyl s VAL 548 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2pyl s VAL 548 Cb -0.02 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2pyl s VAL 548 CO 0.10 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2pyl n GLY 549 N 3.98 1.17 3.67 4.51 0.00 0.14 -5.04 105.19 113.62 2pyl n GLY 549 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2pyl n GLY 549 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pyl s PHE 550 N -2.17 1.57 -0.02 1.61 5.36 -0.87 -4.82 117.98 118.64 2pyl s PHE 550 Ca 0.00 -0.27 -0.01 0.00 -0.96 0.00 0.00 56.93 55.69 2pyl s PHE 550 Cb 0.00 -4.19 0.02 0.00 -0.34 0.00 0.00 43.02 38.51 2pyl s PHE 550 CO 0.00 -5.18 0.03 0.45 -1.46 0.00 0.00 175.22 169.06 2pyl s SER 551 N 3.90 0.01 -0.01 6.13 0.15 -1.26 -1.28 113.70 121.33 2pyl s SER 551 Ca 0.85 0.06 0.01 0.00 0.70 0.00 0.00 55.95 57.57 2pyl s SER 551 Cb -0.42 0.01 0.01 0.00 -1.71 0.00 0.00 66.02 63.91 2pyl s SER 551 CO 0.39 -0.07 -0.03 -0.13 1.20 0.00 0.00 173.24 174.61 2pyl s ARG 552 N 0.52 0.32 -1.31 5.44 1.81 -0.94 -4.99 118.95 119.79 2pyl s ARG 552 Ca -0.04 -0.07 -0.09 0.00 -1.72 0.00 0.00 55.73 53.81 2pyl s ARG 552 Cb -0.06 -0.36 0.14 0.00 -0.45 0.00 0.00 34.95 34.22 2pyl s ARG 552 CO -0.02 0.01 2.03 1.17 -0.68 0.00 0.00 175.30 177.82 2pyl n LYS 553 N 3.37 3.80 0.00 3.54 4.81 -1.26 -1.33 118.16 131.08 2pyl n LYS 553 Ca -0.17 -3.43 0.00 0.00 -0.87 0.00 0.00 58.31 53.84 2pyl n LYS 553 Cb 0.56 -2.87 0.00 0.00 0.02 0.00 0.00 35.03 32.73 2pyl n LYS 553 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2pyl n MET 554 N 3.49 0.32 -3.09 1.64 2.81 -1.07 -4.66 117.12 116.56 2pyl n MET 554 Ca 0.46 -0.54 -0.42 0.00 -1.81 0.00 0.00 57.70 55.39 2pyl n MET 554 Cb 0.33 -0.57 -0.06 0.00 -0.71 0.00 0.00 33.22 32.21 2pyl n MET 554 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2pyl s LYS 555 N -0.12 3.68 0.17 0.03 2.20 0.36 -4.77 119.74 121.28 2pyl s LYS 555 Ca 0.00 0.07 -0.31 0.00 -0.36 0.00 0.00 55.97 55.38 2pyl s LYS 555 Cb 0.00 -3.81 -0.09 0.00 -1.51 0.00 0.00 37.83 32.42 2pyl s LYS 555 CO 0.00 -0.76 1.42 -2.14 -0.36 0.00 0.00 175.35 173.51 2pyl s PRO 556 N 2.76 4.30 -0.03 4.03 0.02 -1.26 0.63 135.00 145.45 2pyl s PRO 556 Ca 0.25 2.18 0.02 0.00 0.02 0.00 0.00 61.00 63.47 2pyl s PRO 556 Cb -0.14 -3.19 0.01 0.00 0.02 0.00 0.00 34.50 31.19 2pyl s PRO 556 CO 0.15 -0.44 -0.10 -1.59 -0.33 0.00 0.00 177.00 174.70 2pyl s LYS 557 N 0.62 1.09 -0.28 5.54 -2.85 -0.18 -4.89 119.74 118.79 2pyl s LYS 557 Ca 0.63 -0.32 -0.29 0.00 -1.00 0.00 0.00 55.97 54.99 2pyl s LYS 557 Cb -0.39 -1.00 0.01 0.00 -2.06 0.00 0.00 37.83 34.39 2pyl s LYS 557 CO 0.34 0.09 1.10 -1.25 0.10 0.00 0.00 175.35 175.74 2pyl s PRO 558 N 0.31 4.11 -0.22 1.78 0.04 -1.26 -0.96 135.00 138.81 2pyl s PRO 558 Ca -0.05 1.21 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 2pyl s PRO 558 Cb -0.10 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 30.68 2pyl s PRO 558 CO 0.01 -0.84 0.04 0.08 0.04 0.00 0.00 177.00 176.33 2pyl s VAL 559 N 3.59 4.25 -0.13 -0.36 1.01 0.86 -4.95 120.40 124.67 2pyl s VAL 559 Ca 0.47 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 2pyl s VAL 559 Cb -0.14 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2pyl s VAL 559 CO 0.14 0.39 1.47 -1.10 0.00 0.00 0.00 175.10 176.00 2pyl s GLN 560 N 1.16 4.14 0.31 2.72 -1.52 -1.26 -1.77 119.66 123.44 2pyl s GLN 560 Ca 0.04 1.86 0.05 0.00 -1.95 0.00 0.00 55.36 55.36 2pyl s GLN 560 Cb -0.14 -3.90 -0.06 0.00 -0.22 0.00 0.00 33.01 28.69 2pyl s GLN 560 CO 0.03 -0.86 0.03 0.14 -0.25 0.00 0.00 175.29 174.37 2pyl s VAL 561 N 3.99 1.32 -0.02 1.09 -7.23 -0.27 -4.83 120.40 114.44 2pyl s VAL 561 Ca 0.65 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 2pyl s VAL 561 Cb -0.27 -2.70 -0.08 0.00 0.56 0.00 0.00 36.38 33.89 2pyl s VAL 561 CO 0.23 -0.09 2.03 -2.65 -0.31 0.00 0.00 175.10 174.31 2pyl n PRO 562 N -0.66 2.67 0.00 4.82 -0.02 -1.26 -2.24 135.00 138.30 2pyl n PRO 562 Ca -0.03 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2pyl n PRO 562 Cb 0.66 -3.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 2pyl n PRO 562 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pyl n GLY 563 N 4.82 1.94 0.00 -1.23 0.00 -1.24 -4.30 105.19 105.17 2pyl n GLY 563 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2pyl n GLY 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyl n GLY 564 N 0.00 -0.78 3.35 -0.02 0.00 -0.95 -4.34 105.19 102.44 2pyl n GLY 564 Ca 0.00 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2pyl n GLY 564 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pyl s VAL 565 N -4.00 2.50 0.01 1.61 1.01 -1.26 -1.11 120.40 119.16 2pyl s VAL 565 Ca 0.00 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.15 2pyl s VAL 565 Cb 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2pyl s VAL 565 CO 0.00 0.57 -0.24 -0.69 0.00 0.00 0.00 175.10 174.74 2pyl s VAL 566 N -0.34 2.27 -0.27 2.92 1.01 -0.73 -4.96 120.40 120.31 2pyl s VAL 566 Ca 0.02 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 2pyl s VAL 566 Cb -0.12 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2pyl s VAL 566 CO 0.02 0.46 0.50 -0.76 0.00 0.00 0.00 175.10 175.32 2pyl s LEU 567 N -1.00 4.08 -0.04 3.92 1.43 -1.26 -0.10 118.68 125.71 2pyl s LEU 567 Ca 0.11 0.43 0.07 0.00 -1.03 0.00 0.00 54.13 53.71 2pyl s LEU 567 Cb -0.10 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 2pyl s LEU 567 CO 0.01 -0.30 -0.25 -0.69 0.23 0.00 0.00 176.35 175.36 2pyl s VAL 568 N 2.29 2.11 -0.07 -1.59 1.01 -0.13 -4.87 120.40 119.15 2pyl s VAL 568 Ca 0.20 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 2pyl s VAL 568 Cb -0.16 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2pyl s VAL 568 CO 0.10 0.57 1.41 -1.81 0.00 0.00 0.00 175.10 175.38 2pyl s ASP 569 N -0.37 6.84 0.24 3.32 1.01 -1.26 -1.02 116.67 125.43 2pyl s ASP 569 Ca 0.03 1.99 0.09 0.00 0.71 0.00 0.00 52.55 55.37 2pyl s ASP 569 Cb -0.12 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 2pyl s ASP 569 CO 0.02 -0.78 -0.03 -0.62 0.21 0.00 0.00 175.17 173.97 2pyl s ASP 570 N 2.29 4.49 0.38 0.27 2.15 0.20 -4.86 116.67 121.59 2pyl s ASP 570 Ca 0.63 -0.61 -0.25 0.00 0.43 0.00 0.00 52.55 52.75 2pyl s ASP 570 Cb -0.28 -0.83 -0.09 0.00 -0.30 0.00 0.00 42.92 41.42 2pyl s ASP 570 CO 0.23 0.03 1.04 0.42 -0.17 0.00 0.00 175.17 176.72 2pyl s THR 571 N -2.13 3.79 -0.12 1.71 -4.23 -1.26 -0.49 115.64 112.90 2pyl s THR 571 Ca 0.30 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 62.22 2pyl s THR 571 Cb -0.07 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 70.03 2pyl s THR 571 CO 0.19 0.06 -0.11 0.12 -0.54 0.00 0.00 174.62 174.33 2pyl s PHE 572 N -1.61 1.75 -0.06 3.99 5.36 -0.44 -4.85 117.98 122.11 2pyl s PHE 572 Ca 0.55 -0.89 0.03 0.00 -0.96 0.00 0.00 56.93 55.66 2pyl s PHE 572 Cb -0.22 -1.35 0.01 0.00 -0.34 0.00 0.00 43.02 41.11 2pyl s PHE 572 CO 0.28 -0.54 -0.13 0.99 -1.46 0.00 0.00 175.22 174.36 2pyl s THR 573 N 1.48 1.20 -0.50 0.12 2.01 -1.26 -2.21 115.64 116.47 2pyl s THR 573 Ca 0.02 -0.54 -0.28 0.00 0.31 0.00 0.00 61.69 61.20 2pyl s THR 573 Cb -0.13 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.31 2pyl s THR 573 CO -0.07 0.36 1.55 -0.63 -0.69 0.00 0.00 174.62 175.14 2pyl s ILE 574 N 0.44 3.69 -2.90 1.82 1.01 -0.40 -4.99 121.20 119.87 2pyl s ILE 574 Ca -0.11 0.62 0.25 0.00 0.00 0.00 0.00 60.65 61.41 2pyl s ILE 574 Cb -0.14 -4.19 0.27 0.00 0.01 0.00 0.00 42.46 38.41 2pyl s ILE 574 CO 0.03 -0.93 1.36 0.29 0.00 0.00 0.00 174.94 175.70