#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n04 s SER 5 N 0.00 2.37 -0.24 3.14 0.15 -1.26 -5.05 113.70 112.80 1n04 s SER 5 Ca 0.00 -0.38 -0.08 0.00 0.70 0.00 0.00 55.95 56.19 1n04 s SER 5 Cb 0.00 -0.99 -0.03 0.00 -1.71 0.00 0.00 66.02 63.29 1n04 s SER 5 CO 0.00 -0.07 0.08 0.68 1.20 0.00 0.00 173.24 175.13 1n04 s VAL 6 N 1.49 4.46 0.05 4.45 -7.23 -1.26 -1.77 120.40 120.60 1n04 s VAL 6 Ca 0.03 -0.12 -0.31 0.00 -1.81 0.00 0.00 61.98 59.77 1n04 s VAL 6 Cb -0.13 -3.08 -0.07 0.00 0.56 0.00 0.00 36.38 33.66 1n04 s VAL 6 CO -0.08 0.35 1.42 -0.63 -0.31 0.00 0.00 175.10 175.85 1n04 s ILE 7 N 1.46 3.48 -0.41 -0.62 1.09 0.38 -4.78 121.20 121.80 1n04 s ILE 7 Ca 0.06 0.96 -0.21 0.00 -1.10 0.00 0.00 60.65 60.36 1n04 s ILE 7 Cb -0.15 -3.62 0.02 0.00 -1.06 0.00 0.00 42.46 37.65 1n04 s ILE 7 CO 0.04 0.03 0.66 -0.13 -0.10 0.00 0.00 174.94 175.44 1n04 s ARG 8 N 1.93 3.44 -0.14 2.79 0.52 -1.26 -1.37 118.95 124.84 1n04 s ARG 8 Ca 0.65 -0.19 -0.10 0.00 -0.52 0.00 0.00 55.73 55.57 1n04 s ARG 8 Cb -0.34 -3.90 -0.05 0.00 0.52 0.00 0.00 34.95 31.18 1n04 s ARG 8 CO 0.29 -0.93 0.19 -0.46 0.02 0.00 0.00 175.30 174.41 1n04 s TRP 9 N 2.84 3.53 0.12 -0.53 -0.11 0.82 0.13 118.94 125.75 1n04 s TRP 9 Ca 0.24 0.53 -0.10 0.00 1.22 0.00 0.00 56.10 57.98 1n04 s TRP 9 Cb -0.14 -2.12 -0.06 0.00 -1.50 0.00 0.00 33.47 29.65 1n04 s TRP 9 CO 0.18 0.50 0.46 0.00 -4.62 0.00 0.00 176.95 173.46 1n04 s THR 11 N -1.50 1.31 -0.40 0.00 -4.23 0.10 -4.69 115.64 106.24 1n04 s THR 11 Ca 0.37 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.97 1n04 s THR 11 Cb -0.14 -2.79 0.31 0.00 1.34 0.00 0.00 72.50 71.23 1n04 s THR 11 CO 0.19 0.00 0.76 2.30 -0.54 0.00 0.00 174.62 177.34 1n04 n ILE 12 N -0.77 -0.25 0.00 2.99 -6.64 -1.26 -1.88 119.36 111.55 1n04 n ILE 12 Ca -0.03 -3.66 0.00 0.00 -1.77 0.00 0.00 62.75 57.28 1n04 n ILE 12 Cb 0.67 -0.20 0.00 0.00 -1.44 0.00 0.00 39.64 38.67 1n04 n ILE 12 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 1n04 n SER 13 N 0.66 0.00 -0.05 7.28 3.41 -1.26 -4.87 113.62 118.78 1n04 n SER 13 Ca 0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.69 1n04 n SER 13 Cb 0.64 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.53 1n04 n SER 13 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1n04 h SER 14 N 0.00 0.28 -0.45 4.04 0.02 -1.98 -0.74 113.55 114.72 1n04 h SER 14 Ca 0.00 -0.24 0.09 0.00 -0.84 0.00 0.00 61.79 60.80 1n04 h SER 14 Cb 0.00 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.39 1n04 h SER 14 CO 0.00 0.45 -0.04 -0.65 -1.14 0.00 0.00 176.83 175.45 1n04 h PRO 15 N 0.10 0.07 0.00 3.45 0.11 -1.94 0.94 132.00 134.72 1n04 h PRO 15 Ca 0.06 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 1n04 h PRO 15 Cb 0.28 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1n04 h PRO 15 CO 0.00 0.05 -0.16 1.49 -0.21 0.00 0.00 178.00 179.17 1n04 h GLU 16 N 0.07 0.00 0.25 1.05 4.81 -1.87 -1.95 114.58 116.94 1n04 h GLU 16 Ca 0.22 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1n04 h GLU 16 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1n04 h GLU 16 CO -0.40 0.16 -0.12 1.49 -0.73 0.00 0.00 179.01 179.40 1n04 h GLU 17 N 0.00 -0.33 -0.44 1.92 4.57 0.65 -1.52 114.58 119.43 1n04 h GLU 17 Ca -0.00 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.28 1n04 h GLU 17 Cb 0.50 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.07 1n04 h GLU 17 CO 0.02 0.04 -0.38 -0.22 -1.18 0.00 0.00 179.01 177.29 1n04 h LYS 18 N -0.86 -0.26 -0.70 1.92 3.64 -0.72 -0.94 116.57 118.65 1n04 h LYS 18 Ca -0.03 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1n04 h LYS 18 Cb 0.51 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.29 1n04 h LYS 18 CO 0.06 -0.17 -0.53 -0.22 -2.27 0.00 0.00 179.45 176.31 1n04 h LYS 19 N -0.27 -0.15 -0.19 1.90 3.11 -1.35 -0.61 116.57 119.00 1n04 h LYS 19 Ca 0.17 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.05 1n04 h LYS 19 Cb 0.56 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.77 1n04 h LYS 19 CO -0.59 -0.10 -0.46 0.00 -2.81 0.00 0.00 179.45 175.50 1n04 h ASN 21 N -0.43 -0.67 -0.92 0.00 -0.26 -0.58 -0.93 115.58 111.79 1n04 h ASN 21 Ca 0.04 0.12 0.27 0.00 -0.56 0.00 0.00 56.30 56.16 1n04 h ASN 21 Cb 0.54 0.31 -0.16 0.00 -1.06 0.00 0.00 38.32 37.95 1n04 h ASN 21 CO -0.41 -0.26 0.23 0.78 -1.06 0.00 0.00 177.43 176.71 1n04 h ASN 22 N -0.25 -0.07 -0.45 5.81 2.35 -0.89 1.12 115.58 123.19 1n04 h ASN 22 Ca 0.11 0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 56.03 1n04 h ASN 22 Cb 0.42 0.32 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 1n04 h ASN 22 CO -0.32 -0.24 0.07 0.25 -1.65 0.00 0.00 177.43 175.54 1n04 h LEU 23 N 0.14 0.73 -0.15 1.61 5.85 -0.97 -3.12 115.31 119.38 1n04 h LEU 23 Ca 0.60 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 59.10 1n04 h LEU 23 Cb 1.29 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 1n04 h LEU 23 CO -0.74 0.81 -0.51 -0.09 -0.34 0.00 0.00 178.44 177.57 1n04 h ARG 24 N 0.62 -0.53 -0.81 1.25 2.43 0.25 0.39 114.38 117.98 1n04 h ARG 24 Ca 0.14 0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.50 1n04 h ARG 24 Cb 0.39 0.12 -0.15 0.00 -0.42 0.00 0.00 29.97 29.91 1n04 h ARG 24 CO 0.01 -0.35 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.43 1n04 h ASP 25 N -0.55 -0.89 0.50 -3.80 3.32 -1.13 0.84 116.42 114.71 1n04 h ASP 25 Ca 0.05 0.25 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 1n04 h ASP 25 Cb 0.67 0.54 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1n04 h ASP 25 CO -0.44 -0.28 -0.21 -0.07 -1.72 0.00 0.00 179.24 176.52 1n04 h LEU 26 N -0.02 0.00 -7.25 1.55 4.07 -1.17 -3.32 115.31 109.17 1n04 h LEU 26 Ca 0.37 0.00 -0.72 0.00 0.08 0.00 0.00 57.88 57.61 1n04 h LEU 26 Cb 0.60 0.00 -0.34 0.00 1.08 0.00 0.00 40.66 42.00 1n04 h LEU 26 CO -0.84 0.21 0.05 0.35 -1.08 0.00 0.00 178.44 177.13 1n04 n THR 27 N -3.70 3.45 0.09 0.22 -2.24 0.29 -4.67 114.28 107.73 1n04 n THR 27 Ca -0.01 -5.24 0.00 0.00 -2.27 0.00 0.00 64.05 56.53 1n04 n THR 27 Cb 0.33 -2.37 0.00 0.00 -2.10 0.00 0.00 70.33 66.18 1n04 n THR 27 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1n04 n GLN 28 N 2.18 0.00 0.00 -0.78 -0.06 -1.22 -2.86 117.38 114.64 1n04 n GLN 28 Ca 0.23 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.27 1n04 n GLN 28 Cb 0.37 -0.27 0.23 0.00 -4.06 0.00 0.00 30.24 26.52 1n04 n GLN 28 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1n04 n GLN 29 N -3.49 0.28 -2.03 3.69 3.00 -1.26 -4.67 117.38 112.90 1n04 n GLN 29 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1n04 n GLN 29 Cb 0.01 -1.44 0.01 0.00 0.00 0.00 0.00 30.24 28.82 1n04 n GLN 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1n04 s GLU 30 N -2.00 3.32 0.02 -1.09 0.41 -1.26 -4.95 118.70 113.16 1n04 s GLU 30 Ca 0.12 1.17 -0.07 0.00 -0.41 0.00 0.00 54.97 55.78 1n04 s GLU 30 Cb 0.05 -2.04 -0.03 0.00 -1.78 0.00 0.00 34.13 30.34 1n04 s GLU 30 CO 0.09 -0.80 1.11 -0.09 -0.49 0.00 0.00 175.26 175.07 1n04 h ARG 31 N 0.38 -0.12 -6.12 1.61 2.43 -1.98 -3.37 114.38 107.21 1n04 h ARG 31 Ca -0.47 0.01 -0.56 0.00 -0.81 0.00 0.00 59.98 58.16 1n04 h ARG 31 Cb 1.22 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.75 1n04 h ARG 31 CO 0.58 -0.08 0.11 0.42 -1.51 0.00 0.00 179.97 179.49 1n04 s ILE 32 N -3.53 4.96 0.47 1.20 1.09 -1.26 -4.56 121.20 119.58 1n04 s ILE 32 Ca -0.03 1.51 0.08 0.00 -1.10 0.00 0.00 60.65 61.11 1n04 s ILE 32 Cb 0.01 -4.07 0.02 0.00 -1.06 0.00 0.00 42.46 37.36 1n04 s ILE 32 CO 0.12 0.28 0.48 -0.55 -0.10 0.00 0.00 174.94 175.17 1n04 s SER 33 N 0.58 5.03 0.29 3.58 0.15 -0.73 -4.84 113.70 117.76 1n04 s SER 33 Ca 0.38 -0.84 0.11 0.00 0.70 0.00 0.00 55.95 56.30 1n04 s SER 33 Cb -0.19 -0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 63.87 1n04 s SER 33 CO 0.20 -0.89 -0.14 -0.22 1.20 0.00 0.00 173.24 173.39 1n04 s LEU 34 N -4.29 2.75 0.01 3.45 2.96 -1.14 0.14 118.68 122.57 1n04 s LEU 34 Ca 0.48 -0.96 -0.25 0.00 -0.22 0.00 0.00 54.13 53.18 1n04 s LEU 34 Cb -0.04 -1.23 0.06 0.00 0.50 0.00 0.00 46.19 45.47 1n04 s LEU 34 CO 0.29 -0.00 0.56 -0.89 -1.32 0.00 0.00 176.35 174.98 1n04 s THR 35 N -2.48 0.02 0.09 3.68 2.01 -0.47 -4.79 115.64 113.69 1n04 s THR 35 Ca 0.31 -0.17 0.08 0.00 0.31 0.00 0.00 61.69 62.22 1n04 s THR 35 Cb -0.04 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1n04 s THR 35 CO 0.16 -0.09 -0.18 0.00 -0.69 0.00 0.00 174.62 173.82 1n04 s VAL 37 N -1.06 -0.34 0.53 0.00 1.01 -0.22 -4.92 120.40 115.41 1n04 s VAL 37 Ca 0.17 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 1n04 s VAL 37 Cb -0.11 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 1n04 s VAL 37 CO 0.08 -0.52 1.04 -1.58 0.00 0.00 0.00 175.10 174.12 1n04 s GLN 38 N 2.26 3.63 0.25 2.72 0.74 -1.26 0.02 119.66 128.02 1n04 s GLN 38 Ca 0.10 1.23 -0.08 0.00 0.05 0.00 0.00 55.36 56.66 1n04 s GLN 38 Cb -0.14 -2.08 -0.01 0.00 1.10 0.00 0.00 33.01 31.88 1n04 s GLN 38 CO -0.32 -0.56 0.38 0.15 -0.55 0.00 0.00 175.29 174.39 1n04 s LYS 39 N -3.71 1.51 -0.02 1.67 -0.14 -0.79 -4.81 119.74 113.46 1n04 s LYS 39 Ca 0.64 -1.43 -0.23 0.00 -1.36 0.00 0.00 55.97 53.59 1n04 s LYS 39 Cb -0.15 0.41 -0.17 0.00 -1.68 0.00 0.00 37.83 36.24 1n04 s LYS 39 CO 0.28 -0.60 1.09 0.00 -0.76 0.00 0.00 175.35 175.36 1n04 h ALA 40 N 2.33 -0.26 -2.16 5.17 0.00 -1.96 -3.37 119.26 119.00 1n04 h ALA 40 Ca -0.29 -0.21 -0.44 0.00 0.00 0.00 0.00 54.91 53.97 1n04 h ALA 40 Cb 1.25 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 1n04 h ALA 40 CO 0.41 -0.40 -0.57 0.95 0.00 0.00 0.00 179.25 179.63 1n04 s THR 41 N -4.07 0.58 0.46 0.00 -4.23 -1.26 -4.77 115.64 102.34 1n04 s THR 41 Ca -0.14 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.48 1n04 s THR 41 Cb 0.01 -2.56 0.27 0.00 1.34 0.00 0.00 72.50 71.56 1n04 s THR 41 CO 0.53 0.00 2.10 0.10 -0.54 0.00 0.00 174.62 176.81 1n04 h TYR 42 N 2.15 0.31 -0.21 3.99 -0.00 -1.92 -1.76 116.97 119.52 1n04 h TYR 42 Ca -0.36 0.01 -0.07 0.00 -0.00 0.00 0.00 58.73 58.30 1n04 h TYR 42 Cb 1.25 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 37.87 1n04 h TYR 42 CO 0.91 0.19 -0.18 1.25 -0.00 0.00 0.00 178.16 180.33 1n04 h LEU 43 N 0.33 0.36 -0.23 0.10 5.85 -2.00 -2.14 115.31 117.57 1n04 h LEU 43 Ca 0.09 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1n04 h LEU 43 Cb -0.03 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1n04 h LEU 43 CO -0.02 0.56 -0.30 0.44 -0.34 0.00 0.00 178.44 178.78 1n04 h ASP 44 N 0.34 0.66 -0.77 1.25 5.19 -1.73 -2.89 116.42 118.46 1n04 h ASP 44 Ca 0.06 -0.50 0.07 0.00 -0.62 0.00 0.00 57.03 56.03 1n04 h ASP 44 Cb 0.52 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.80 1n04 h ASP 44 CO 0.03 1.03 0.51 0.00 -3.12 0.00 0.00 179.24 177.69 1n04 h ILE 46 N 0.81 1.25 -0.55 0.00 2.04 -1.30 -2.44 117.51 117.32 1n04 h ILE 46 Ca 0.34 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1n04 h ILE 46 Cb 0.27 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1n04 h ILE 46 CO -0.12 0.28 0.34 0.11 0.00 0.00 0.00 178.15 178.76 1n04 h LYS 47 N 0.30 0.74 0.09 2.37 1.57 -1.21 -1.52 116.57 118.90 1n04 h LYS 47 Ca 0.08 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1n04 h LYS 47 Cb 0.39 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1n04 h LYS 47 CO 0.01 0.52 -0.16 0.00 -0.57 0.00 0.00 179.45 179.25 1n04 h ALA 48 N 1.17 -0.77 -0.87 3.86 0.00 -1.12 0.38 119.26 121.92 1n04 h ALA 48 Ca 0.20 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.29 1n04 h ALA 48 Cb -0.04 0.50 -0.15 0.00 0.00 0.00 0.00 17.79 18.10 1n04 h ALA 48 CO -0.04 -0.80 0.12 0.82 0.00 0.00 0.00 179.25 179.35 1n04 h ILE 49 N -0.26 0.24 -0.45 0.00 2.04 -1.38 0.88 117.51 118.57 1n04 h ILE 49 Ca -0.01 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1n04 h ILE 49 Cb 0.25 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1n04 h ILE 49 CO -0.06 0.02 0.04 0.00 0.00 0.00 0.00 178.15 178.16 1n04 h ALA 50 N 1.82 1.23 -0.83 1.87 0.00 -0.74 -2.50 119.26 120.11 1n04 h ALA 50 Ca 0.53 -0.22 -0.55 0.00 0.00 0.00 0.00 54.91 54.67 1n04 h ALA 50 Cb 1.04 -0.19 -0.24 0.00 0.00 0.00 0.00 17.79 18.40 1n04 h ALA 50 CO -0.73 0.52 0.70 0.09 0.00 0.00 0.00 179.25 179.83 1n04 n ASN 51 N -4.26 6.77 -2.86 0.00 4.13 0.29 -4.88 115.26 114.46 1n04 n ASN 51 Ca 0.03 -3.52 -0.13 0.00 1.68 0.00 0.00 54.58 52.64 1n04 n ASN 51 Cb 0.26 -0.97 -0.01 0.00 -1.54 0.00 0.00 39.78 37.51 1n04 n ASN 51 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1n04 n ASN 52 N -0.56 -2.49 -0.01 6.41 5.15 -0.76 -4.76 115.26 118.24 1n04 n ASN 52 Ca 0.52 0.06 0.08 0.00 -0.60 0.00 0.00 54.58 54.63 1n04 n ASN 52 Cb 0.76 -2.17 -0.12 0.00 -0.53 0.00 0.00 39.78 37.72 1n04 n ASN 52 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1n04 n GLU 53 N -3.00 0.52 -4.32 1.20 1.02 -0.33 -4.99 120.64 110.73 1n04 n GLU 53 Ca -0.03 -0.14 -0.17 0.00 -0.02 0.00 0.00 57.16 56.79 1n04 n GLU 53 Cb 0.54 -1.37 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 1n04 n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n04 s ALA 54 N -3.09 1.83 0.00 0.62 0.00 -1.22 -4.83 121.76 115.07 1n04 s ALA 54 Ca -0.06 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1n04 s ALA 54 Cb 0.10 1.11 0.00 0.00 0.00 0.00 0.00 23.12 24.33 1n04 s ALA 54 CO 0.66 -0.49 0.00 -0.25 0.00 0.00 0.00 175.76 175.69 1n04 n ASP 55 N -0.68 3.35 -3.25 0.00 9.92 0.36 -4.10 116.55 122.15 1n04 n ASP 55 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.21 1n04 n ASP 55 Cb 0.66 0.65 0.02 0.00 -0.64 0.00 0.00 41.12 41.80 1n04 n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n04 s ALA 56 N -1.36 -1.27 0.00 2.24 0.00 -0.85 -4.56 121.76 115.96 1n04 s ALA 56 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1n04 s ALA 56 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1n04 s ALA 56 CO 0.00 -1.03 0.00 1.51 0.00 0.00 0.00 175.76 176.24 1n04 n ILE 57 N -0.61 0.00 -3.28 0.00 3.06 -1.23 -1.41 119.36 115.89 1n04 n ILE 57 Ca -0.05 0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.80 1n04 n ILE 57 Cb 0.60 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.70 1n04 n ILE 57 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1n04 s SER 58 N 0.00 6.46 0.34 9.51 0.15 -1.26 -1.42 113.70 127.48 1n04 s SER 58 Ca 0.00 0.55 0.08 0.00 0.70 0.00 0.00 55.95 57.28 1n04 s SER 58 Cb 0.00 -2.27 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1n04 s SER 58 CO 0.00 -0.21 0.18 -0.76 1.20 0.00 0.00 173.24 173.65 1n04 s LEU 59 N 1.89 3.33 0.50 3.45 2.01 0.78 -4.88 118.68 125.76 1n04 s LEU 59 Ca 0.21 -0.72 -0.11 0.00 0.01 0.00 0.00 54.13 53.52 1n04 s LEU 59 Cb -0.15 -1.84 -0.05 0.00 0.01 0.00 0.00 46.19 44.16 1n04 s LEU 59 CO 0.09 -0.33 0.88 -0.62 1.01 0.00 0.00 176.35 177.38 1n04 s ASP 60 N -3.89 6.41 0.27 2.29 2.15 -1.26 -1.69 116.67 120.94 1n04 s ASP 60 Ca 0.39 1.24 -0.00 0.00 0.43 0.00 0.00 52.55 54.60 1n04 s ASP 60 Cb -0.03 -2.38 0.57 0.00 -0.30 0.00 0.00 42.92 40.78 1n04 s ASP 60 CO 0.24 -0.59 1.74 1.23 -0.17 0.00 0.00 175.17 177.61 1n04 h GLY 61 N 0.57 1.36 2.00 2.66 0.00 -1.82 0.63 103.07 108.47 1n04 h GLY 61 Ca -0.46 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1n04 h GLY 61 CO 0.62 -0.12 0.00 -1.33 0.00 0.00 0.00 176.54 175.72 1n04 h GLY 62 N 0.51 0.00 0.00 4.60 0.00 -1.90 -2.21 103.07 104.08 1n04 h GLY 62 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1n04 h GLY 62 CO -0.42 0.00 -1.56 -1.06 0.00 0.00 0.00 176.54 173.50 1n04 n GLN 63 N -2.69 0.73 0.03 4.80 6.02 0.20 -4.04 117.38 122.43 1n04 n GLN 63 Ca -0.01 -0.12 -0.04 0.00 -0.01 0.00 0.00 57.00 56.81 1n04 n GLN 63 Cb 0.12 -1.39 0.18 0.00 1.02 0.00 0.00 30.24 30.17 1n04 n GLN 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n04 h ALA 64 N 1.77 1.03 -0.52 -1.58 0.00 -0.32 -0.81 119.26 118.82 1n04 h ALA 64 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1n04 h ALA 64 Cb 0.70 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1n04 h ALA 64 CO 0.00 0.59 0.32 0.35 0.00 0.00 0.00 179.25 180.51 1n04 h PHE 65 N 0.37 0.67 0.06 0.00 3.04 -1.63 -1.65 116.94 117.80 1n04 h PHE 65 Ca 0.04 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.90 1n04 h PHE 65 Cb 0.79 -0.22 0.01 0.00 2.56 0.00 0.00 35.95 39.09 1n04 h PHE 65 CO 0.02 0.44 -0.42 0.93 -2.02 0.00 0.00 178.31 177.27 1n04 h GLU 66 N 0.71 0.17 -1.05 1.11 5.08 -1.54 -3.21 114.58 115.85 1n04 h GLU 66 Ca 0.19 -0.27 0.29 0.00 -1.00 0.00 0.00 59.36 58.57 1n04 h GLU 66 Cb -0.04 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 1n04 h GLU 66 CO -0.04 1.10 0.73 0.00 -1.00 0.00 0.00 179.01 179.80 1n04 h ALA 67 N 0.09 2.68 0.00 3.43 0.00 -0.88 0.10 119.26 124.68 1n04 h ALA 67 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1n04 h ALA 67 Cb 1.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1n04 h ALA 67 CO 0.08 -1.03 -0.24 0.78 0.00 0.00 0.00 179.25 178.84 1n04 h GLY 68 N 0.17 0.00 -1.88 0.00 0.00 -1.35 0.40 103.07 100.41 1n04 h GLY 68 Ca 0.54 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.38 1n04 h GLY 68 CO -0.12 0.00 0.39 1.08 0.00 0.00 0.00 176.54 177.89 1n04 s LEU 69 N -4.74 3.60 0.58 3.11 1.02 0.35 -3.55 118.68 119.06 1n04 s LEU 69 Ca 0.08 1.98 -0.18 0.00 0.02 0.00 0.00 54.13 56.03 1n04 s LEU 69 Cb 0.11 -4.56 -0.04 0.00 0.02 0.00 0.00 46.19 41.73 1n04 s LEU 69 CO 0.66 -1.22 1.13 0.00 0.02 0.00 0.00 176.35 176.93 1n04 s ALA 70 N -2.16 2.62 -2.10 4.21 0.00 -1.26 -0.62 121.76 122.45 1n04 s ALA 70 Ca 0.67 0.75 0.15 0.00 0.00 0.00 0.00 51.96 53.53 1n04 s ALA 70 Cb -0.19 -3.35 0.68 0.00 0.00 0.00 0.00 23.12 20.25 1n04 s ALA 70 CO 0.32 -0.93 1.47 -2.30 0.00 0.00 0.00 175.76 174.32 1n04 n PRO 71 N -1.65 1.42 -0.03 0.00 -0.02 -1.26 -4.83 135.00 128.63 1n04 n PRO 71 Ca 0.11 -0.63 -0.15 0.00 -2.02 0.00 0.00 63.50 60.81 1n04 n PRO 71 Cb 0.51 -1.28 -0.11 0.00 -0.02 0.00 0.00 33.50 32.60 1n04 n PRO 71 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1n04 h TYR 72 N 1.19 0.24 -6.05 6.00 0.05 -1.56 -3.47 116.97 113.37 1n04 h TYR 72 Ca 0.00 -0.12 -0.37 0.00 0.05 0.00 0.00 58.73 58.28 1n04 h TYR 72 Cb 0.26 -0.03 -0.16 0.00 1.01 0.00 0.00 36.73 37.82 1n04 h TYR 72 CO 0.08 0.90 -0.57 1.63 -1.05 0.00 0.00 178.16 179.15 1n04 n LYS 73 N -4.53 -0.93 -1.34 4.88 5.02 0.21 -4.88 118.16 116.59 1n04 n LYS 73 Ca -0.09 0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 55.95 1n04 n LYS 73 Cb 0.48 -2.33 0.10 0.00 -0.02 0.00 0.00 35.03 33.26 1n04 n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1n04 s LEU 74 N -5.38 2.65 -0.10 -0.35 2.01 0.14 -4.74 118.68 112.90 1n04 s LEU 74 Ca 0.14 1.55 0.04 0.00 0.01 0.00 0.00 54.13 55.86 1n04 s LEU 74 Cb -0.08 -4.14 0.00 0.00 0.01 0.00 0.00 46.19 41.98 1n04 s LEU 74 CO 0.60 -2.18 -0.22 -0.75 1.01 0.00 0.00 176.35 174.81 1n04 s LYS 75 N -4.99 2.89 -0.68 1.70 2.20 0.22 -4.27 119.74 116.81 1n04 s LYS 75 Ca 0.62 -0.82 -0.26 0.00 -0.36 0.00 0.00 55.97 55.14 1n04 s LYS 75 Cb -0.16 -2.22 -0.01 0.00 -1.51 0.00 0.00 37.83 33.93 1n04 s LYS 75 CO 0.56 0.13 1.70 -2.14 -0.36 0.00 0.00 175.35 175.24 1n04 s PRO 76 N 0.47 2.80 0.05 4.03 0.02 -1.26 -0.93 135.00 140.17 1n04 s PRO 76 Ca -0.16 0.26 0.04 0.00 0.02 0.00 0.00 61.00 61.16 1n04 s PRO 76 Cb -0.17 -4.41 -0.24 0.00 0.02 0.00 0.00 34.50 29.69 1n04 s PRO 76 CO 0.06 -2.61 1.01 -0.84 -0.33 0.00 0.00 177.00 174.29 1n04 h ILE 77 N 6.68 1.35 -3.97 2.83 3.07 -1.45 -3.44 117.51 122.59 1n04 h ILE 77 Ca -0.22 -3.05 -0.24 0.00 1.55 0.00 0.00 64.86 62.89 1n04 h ILE 77 Cb 1.12 2.74 -0.21 0.00 -0.27 0.00 0.00 36.82 40.19 1n04 h ILE 77 CO 1.24 0.82 -0.72 0.00 -1.05 0.00 0.00 178.15 178.44 1n04 s ALA 78 N -2.65 0.43 -0.05 0.16 0.00 -1.17 -0.52 121.76 117.96 1n04 s ALA 78 Ca -0.04 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.27 1n04 s ALA 78 Cb 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1n04 s ALA 78 CO 0.84 -0.06 -0.20 0.00 0.00 0.00 0.00 175.76 176.34 1n04 s ALA 79 N -1.38 1.72 0.70 0.00 0.00 0.76 -0.69 121.76 122.88 1n04 s ALA 79 Ca -0.12 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 1n04 s ALA 79 Cb -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.49 1n04 s ALA 79 CO -0.00 0.33 1.21 -1.21 0.00 0.00 0.00 175.76 176.08 1n04 s GLU 80 N -0.05 2.33 -0.06 0.00 2.02 -0.77 0.21 118.70 122.37 1n04 s GLU 80 Ca -0.03 1.76 0.05 0.00 0.02 0.00 0.00 54.97 56.78 1n04 s GLU 80 Cb -0.12 -1.86 -0.01 0.00 0.10 0.00 0.00 34.13 32.25 1n04 s GLU 80 CO 0.02 -1.69 -0.24 0.08 0.02 0.00 0.00 175.26 173.45 1n04 s VAL 81 N -1.91 1.98 0.14 2.63 1.01 -0.47 -4.28 120.40 119.50 1n04 s VAL 81 Ca 0.75 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.80 1n04 s VAL 81 Cb -0.29 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1n04 s VAL 81 CO 0.43 0.55 -0.13 -0.31 0.00 0.00 0.00 175.10 175.64 1n04 s TYR 82 N -0.03 2.61 -0.07 5.22 2.02 -0.01 0.08 117.35 127.18 1n04 s TYR 82 Ca -0.07 -0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.11 1n04 s TYR 82 Cb -0.14 -1.34 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 1n04 s TYR 82 CO 0.05 0.45 1.51 -2.00 -1.57 0.00 0.00 175.55 173.99 1n04 s GLU 83 N -2.43 4.21 0.08 -0.62 2.56 -1.26 -3.22 118.70 118.01 1n04 s GLU 83 Ca 0.21 2.03 -0.06 0.00 0.00 0.00 0.00 54.97 57.15 1n04 s GLU 83 Cb -0.10 -3.85 -0.02 0.00 2.00 0.00 0.00 34.13 32.17 1n04 s GLU 83 CO 0.13 -0.76 0.11 -1.01 -0.56 0.00 0.00 175.26 173.17 1n04 s HIS 84 N 3.58 0.30 -0.08 5.30 3.76 -1.26 -4.88 115.29 122.01 1n04 s HIS 84 Ca 0.67 -0.76 -0.18 0.00 -0.15 0.00 0.00 55.06 54.64 1n04 s HIS 84 Cb -0.30 -0.18 -0.29 0.00 1.11 0.00 0.00 32.58 32.92 1n04 s HIS 84 CO 0.25 -0.49 0.70 1.79 -0.85 0.00 0.00 174.74 176.14 1n04 h THR 85 N 2.88 1.20 -0.81 1.30 1.35 -1.99 -3.22 112.91 113.62 1n04 h THR 85 Ca -0.34 -2.47 0.13 0.00 -0.55 0.00 0.00 66.41 63.19 1n04 h THR 85 Cb 1.18 2.89 -0.09 0.00 -1.73 0.00 0.00 68.15 70.40 1n04 h THR 85 CO 0.59 0.72 0.40 -0.33 -0.25 0.00 0.00 175.52 176.65 1n04 h GLU 86 N -0.29 0.58 0.00 4.72 3.07 -2.01 -3.43 114.58 117.23 1n04 h GLU 86 Ca -0.25 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1n04 h GLU 86 Cb 1.76 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.54 1n04 h GLU 86 CO 0.11 0.38 0.00 0.41 -1.40 0.00 0.00 179.01 178.51 1n04 n GLY 87 N -1.32 0.00 2.23 -3.84 0.00 -1.25 -5.10 105.19 95.91 1n04 n GLY 87 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1n04 n GLY 87 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n04 n SER 88 N 0.00 -1.72 0.00 1.61 7.64 -1.22 -4.83 113.62 115.10 1n04 n SER 88 Ca 0.00 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1n04 n SER 88 Cb 0.00 -4.04 0.00 0.00 -1.01 0.00 0.00 64.21 59.16 1n04 n SER 88 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1n04 n THR 89 N 1.23 0.00 -2.57 0.44 -2.24 -1.20 -4.79 114.28 105.16 1n04 n THR 89 Ca -0.26 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 1n04 n THR 89 Cb 0.41 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.65 1n04 n THR 89 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1n04 n THR 90 N 0.00 5.59 -3.48 4.28 -2.24 -1.26 -0.83 114.28 116.34 1n04 n THR 90 Ca 0.00 -5.49 -0.10 0.00 -2.27 0.00 0.00 64.05 56.19 1n04 n THR 90 Cb 0.00 -1.86 -0.02 0.00 -2.10 0.00 0.00 70.33 66.35 1n04 n THR 90 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n04 s SER 91 N -0.91 -0.42 0.18 3.42 1.04 -1.26 -1.94 113.70 113.81 1n04 s SER 91 Ca 0.40 0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.89 1n04 s SER 91 Cb 0.15 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1n04 s SER 91 CO -0.05 -0.70 0.18 0.00 0.98 0.00 0.00 173.24 173.65 1n04 n TYR 92 N -0.22 -0.56 -4.95 5.02 4.11 -0.45 -4.73 117.16 115.38 1n04 n TYR 92 Ca -0.11 -1.46 -0.29 0.00 -0.00 0.00 0.00 57.90 56.04 1n04 n TYR 92 Cb 0.62 0.19 -0.15 0.00 -0.00 0.00 0.00 39.34 40.01 1n04 n TYR 92 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1n04 s TYR 93 N -3.00 2.15 -0.23 -3.48 2.02 -1.26 -0.87 117.35 112.68 1n04 s TYR 93 Ca 0.20 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.39 1n04 s TYR 93 Cb 0.01 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.20 1n04 s TYR 93 CO 0.14 0.06 0.21 0.00 -1.57 0.00 0.00 175.55 174.39 1n04 s ALA 94 N -0.72 3.60 0.19 3.71 0.00 -0.85 -0.64 121.76 127.05 1n04 s ALA 94 Ca 0.10 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.31 1n04 s ALA 94 Cb -0.09 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1n04 s ALA 94 CO 0.01 -0.23 -0.14 0.14 0.00 0.00 0.00 175.76 175.54 1n04 s VAL 95 N 1.13 1.65 -0.35 0.00 -7.23 0.25 0.58 120.40 116.43 1n04 s VAL 95 Ca 0.10 -2.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.09 1n04 s VAL 95 Cb -0.14 -1.95 0.05 0.00 0.56 0.00 0.00 36.38 34.90 1n04 s VAL 95 CO 0.05 -0.56 0.13 0.00 -0.31 0.00 0.00 175.10 174.41 1n04 s ALA 96 N -2.82 3.08 -0.14 1.32 0.00 -1.26 -1.38 121.76 120.56 1n04 s ALA 96 Ca 0.20 -1.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.20 1n04 s ALA 96 Cb -0.01 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.74 1n04 s ALA 96 CO 0.06 -1.40 0.23 0.08 0.00 0.00 0.00 175.76 174.73 1n04 s VAL 97 N 1.38 5.34 0.26 0.00 1.01 0.19 -1.11 120.40 127.48 1n04 s VAL 97 Ca -0.01 0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.43 1n04 s VAL 97 Cb -0.20 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1n04 s VAL 97 CO 0.02 0.48 0.10 1.33 0.00 0.00 0.00 175.10 177.03 1n04 n VAL 98 N 2.94 0.00 -3.52 2.92 0.24 -0.29 -0.59 118.33 120.02 1n04 n VAL 98 Ca -0.15 -1.55 -0.37 0.00 -2.04 0.00 0.00 64.34 60.22 1n04 n VAL 98 Cb 0.53 0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 33.40 1n04 n VAL 98 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1n04 s LYS 99 N -3.01 4.03 0.28 7.34 1.02 -1.26 -2.38 119.74 125.76 1n04 s LYS 99 Ca 0.14 0.27 -0.30 0.00 0.02 0.00 0.00 55.97 56.10 1n04 s LYS 99 Cb 0.01 -3.31 -0.12 0.00 -0.52 0.00 0.00 37.83 33.89 1n04 s LYS 99 CO 0.10 0.49 1.63 0.21 -0.92 0.00 0.00 175.35 176.86 1n04 s LYS 100 N -0.37 4.11 0.00 1.68 2.47 -0.72 -2.46 119.74 124.45 1n04 s LYS 100 Ca 0.21 2.60 0.00 0.00 -1.56 0.00 0.00 55.97 57.22 1n04 s LYS 100 Cb -0.15 -3.03 0.00 0.00 -1.46 0.00 0.00 37.83 33.19 1n04 s LYS 100 CO 0.09 -0.67 0.00 0.41 0.16 0.00 0.00 175.35 175.34 1n04 n GLY 101 N 2.54 3.11 3.53 5.54 0.00 -1.26 -4.87 105.19 113.78 1n04 n GLY 101 Ca 0.10 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1n04 n GLY 101 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n04 n THR 102 N 0.00 0.00 -0.03 2.61 -2.24 -1.03 -4.94 114.28 108.65 1n04 n THR 102 Ca 0.00 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1n04 n THR 102 Cb 0.00 -0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 67.35 1n04 n THR 102 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n04 n GLU 103 N -3.06 2.15 -1.24 -0.78 -0.58 -1.26 -5.01 120.64 110.85 1n04 n GLU 103 Ca 0.09 -0.02 -0.36 0.00 -0.42 0.00 0.00 57.16 56.44 1n04 n GLU 103 Cb 0.53 -1.20 0.06 0.00 -0.57 0.00 0.00 31.44 30.27 1n04 n GLU 103 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1n04 n PHE 104 N -2.17 -1.16 -3.56 -0.32 1.16 -1.26 -5.03 117.46 105.13 1n04 n PHE 104 Ca -0.10 0.34 -0.21 0.00 -1.87 0.00 0.00 57.45 55.61 1n04 n PHE 104 Cb 0.63 -1.88 -0.02 0.00 -1.61 0.00 0.00 39.48 36.60 1n04 n PHE 104 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1n04 s THR 105 N -1.93 2.48 0.63 1.97 -4.23 -1.26 -4.95 115.64 108.35 1n04 s THR 105 Ca 0.64 -1.33 0.28 0.00 -1.18 0.00 0.00 61.69 60.10 1n04 s THR 105 Cb -0.35 -2.81 0.33 0.00 1.34 0.00 0.00 72.50 71.01 1n04 s THR 105 CO 0.60 0.00 1.88 1.62 -0.54 0.00 0.00 174.62 178.18 1n04 h VAL 106 N 0.91 0.19 0.00 2.29 3.04 -1.80 0.24 116.25 121.12 1n04 h VAL 106 Ca -0.40 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1n04 h VAL 106 Cb 1.27 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1n04 h VAL 106 CO 0.56 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.71 1n04 n ASN 107 N -3.31 0.00 -0.26 3.17 3.02 -1.26 -3.08 115.26 113.54 1n04 n ASN 107 Ca 0.03 -0.07 0.06 0.00 -0.03 0.00 0.00 54.58 54.57 1n04 n ASN 107 Cb 0.54 -0.29 0.11 0.00 -0.61 0.00 0.00 39.78 39.53 1n04 n ASN 107 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1n04 n ASP 108 N -1.29 2.55 0.28 6.41 8.00 0.83 -4.70 116.55 128.63 1n04 n ASP 108 Ca 0.12 -2.53 0.15 0.00 0.71 0.00 0.00 54.79 53.24 1n04 n ASP 108 Cb 0.21 -0.27 0.90 0.00 -0.02 0.00 0.00 41.12 41.95 1n04 n ASP 108 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1n04 h LEU 109 N 0.58 0.00 -9.62 0.64 3.38 -1.58 -3.42 115.31 105.30 1n04 h LEU 109 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1n04 h LEU 109 Cb 0.85 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.65 1n04 h LEU 109 CO 0.03 0.00 0.92 -1.58 0.09 0.00 0.00 178.44 177.90 1n04 s GLN 110 N -4.63 4.19 0.00 1.13 -0.44 -1.26 -1.88 119.66 116.77 1n04 s GLN 110 Ca -0.05 2.42 0.00 0.00 -2.50 0.00 0.00 55.36 55.23 1n04 s GLN 110 Cb 0.15 -3.14 0.00 0.00 -1.64 0.00 0.00 33.01 28.38 1n04 s GLN 110 CO 0.55 -0.65 0.00 0.41 0.50 0.00 0.00 175.29 176.10 1n04 n GLY 111 N 3.82 3.21 3.80 2.59 0.00 -0.08 -5.00 105.19 113.53 1n04 n GLY 111 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1n04 n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n04 s LYS 112 N -0.51 -0.22 0.10 1.61 -0.14 -0.79 -3.59 119.74 116.20 1n04 s LYS 112 Ca 0.00 -0.33 0.05 0.00 -1.36 0.00 0.00 55.97 54.34 1n04 s LYS 112 Cb 0.00 -1.74 -0.04 0.00 -1.68 0.00 0.00 37.83 34.37 1n04 s LYS 112 CO 0.00 -3.00 -0.02 0.95 -0.76 0.00 0.00 175.35 172.52 1n04 s THR 113 N -3.57 3.89 0.07 2.17 -4.23 -1.26 -0.69 115.64 112.02 1n04 s THR 113 Ca 0.74 -1.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.19 1n04 s THR 113 Cb -0.05 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1n04 s THR 113 CO 0.54 0.10 -0.05 -0.94 -0.54 0.00 0.00 174.62 173.73 1n04 s SER 114 N -2.33 0.83 -0.07 3.99 1.04 -0.88 -0.42 113.70 115.86 1n04 s SER 114 Ca 0.25 -0.93 0.05 0.00 0.48 0.00 0.00 55.95 55.80 1n04 s SER 114 Cb -0.11 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.13 1n04 s SER 114 CO 0.18 -0.48 -0.22 0.00 0.98 0.00 0.00 173.24 173.70 1n04 s HIS 116 N 0.09 1.64 0.12 0.00 3.76 -0.34 -2.24 115.29 118.32 1n04 s HIS 116 Ca -0.09 -0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 54.25 1n04 s HIS 116 Cb -0.15 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.58 1n04 s HIS 116 CO 0.05 0.15 1.53 1.79 -0.85 0.00 0.00 174.74 177.41 1n04 h THR 117 N 4.18 1.27 -1.27 1.30 1.35 -1.74 -3.39 112.91 114.61 1n04 h THR 117 Ca -0.44 -1.10 0.23 0.00 -0.55 0.00 0.00 66.41 64.55 1n04 h THR 117 Cb 1.18 1.25 -0.23 0.00 -1.73 0.00 0.00 68.15 68.62 1n04 h THR 117 CO 0.41 0.37 0.85 -0.83 -0.25 0.00 0.00 175.52 176.06 1n04 s GLY 118 N -3.38 -0.13 0.58 5.82 0.00 -1.26 0.26 107.32 109.21 1n04 s GLY 118 Ca -0.13 2.19 -0.18 0.00 0.00 0.00 0.00 44.72 46.60 1n04 s GLY 118 CO 0.80 0.85 1.14 -2.27 0.00 0.00 0.00 173.10 173.62 1n04 s LEU 119 N -1.54 3.65 0.00 0.66 2.96 -0.81 -3.05 118.68 120.54 1n04 s LEU 119 Ca 0.08 2.19 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 1n04 s LEU 119 Cb -0.01 -4.58 0.00 0.00 0.50 0.00 0.00 46.19 42.10 1n04 s LEU 119 CO -0.05 -1.41 0.00 0.61 -1.32 0.00 0.00 176.35 174.18 1n04 n GLY 120 N 0.10 0.07 3.90 7.98 0.00 -1.26 -4.98 105.19 111.00 1n04 n GLY 120 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1n04 n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n04 s ARG 121 N -1.50 3.12 0.00 1.61 1.81 -1.17 -4.43 118.95 118.39 1n04 s ARG 121 Ca 0.00 0.33 0.00 0.00 -1.72 0.00 0.00 55.73 54.34 1n04 s ARG 121 Cb 0.00 -2.17 0.00 0.00 -0.45 0.00 0.00 34.95 32.33 1n04 s ARG 121 CO 0.00 -0.71 0.30 0.43 -0.68 0.00 0.00 175.30 174.64 1n04 n SER 122 N -2.71 0.00 -0.27 0.23 7.64 -1.26 0.03 113.62 117.27 1n04 n SER 122 Ca 0.05 0.36 -0.03 0.00 1.01 0.00 0.00 58.87 60.26 1n04 n SER 122 Cb 0.56 -0.11 0.13 0.00 -1.01 0.00 0.00 64.21 63.78 1n04 n SER 122 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n04 h ALA 123 N -2.00 1.21 0.00 -0.43 0.00 -1.91 -0.12 119.26 116.00 1n04 h ALA 123 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1n04 h ALA 123 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1n04 h ALA 123 CO 0.00 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1n04 n GLY 124 N -1.10 -1.28 1.61 0.00 0.00 -1.24 -4.28 105.19 98.89 1n04 n GLY 124 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1n04 n GLY 124 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1n04 n TRP 125 N -1.64 -2.00 0.22 1.61 -0.00 -1.08 -3.66 117.44 110.89 1n04 n TRP 125 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.40 1n04 n TRP 125 Cb 0.26 0.40 -0.08 0.00 -0.00 0.00 0.00 31.31 31.89 1n04 n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1n04 h ASN 126 N 0.00 -0.43 0.25 5.87 2.35 0.26 -0.63 115.58 123.26 1n04 h ASN 126 Ca 0.00 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1n04 h ASN 126 Cb 0.00 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1n04 h ASN 126 CO 0.00 -0.24 -0.17 0.40 -1.65 0.00 0.00 177.43 175.76 1n04 h ILE 127 N -0.59 0.63 0.80 2.81 1.08 -1.28 -1.16 117.51 119.80 1n04 h ILE 127 Ca -0.05 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.38 1n04 h ILE 127 Cb 0.44 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1n04 h ILE 127 CO 0.09 0.00 -0.43 -0.65 -0.69 0.00 0.00 178.15 176.47 1n04 h PRO 128 N -0.43 -1.09 0.04 2.37 0.11 -1.77 0.16 132.00 131.40 1n04 h PRO 128 Ca -0.02 0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.18 1n04 h PRO 128 Cb 0.36 0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 1n04 h PRO 128 CO 0.01 -0.73 -0.10 0.82 -0.21 0.00 0.00 178.00 177.79 1n04 h ILE 129 N -1.13 0.75 -0.85 4.15 1.08 -1.20 0.18 117.51 120.49 1n04 h ILE 129 Ca -0.11 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.40 1n04 h ILE 129 Cb 0.89 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 35.33 1n04 h ILE 129 CO 0.15 0.00 0.54 1.23 -0.69 0.00 0.00 178.15 179.39 1n04 h GLY 130 N -0.20 1.24 1.53 5.37 0.00 -1.25 0.39 103.07 110.15 1n04 h GLY 130 Ca 0.02 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1n04 h GLY 130 CO -0.07 0.34 -0.05 -0.84 0.00 0.00 0.00 176.54 175.92 1n04 h THR 131 N 1.05 1.22 -0.02 4.70 2.02 -0.12 0.30 112.91 122.05 1n04 h THR 131 Ca 0.34 -0.93 -0.22 0.00 0.77 0.00 0.00 66.41 66.38 1n04 h THR 131 Cb 0.03 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1n04 h THR 131 CO -0.12 0.31 -0.90 -0.07 0.37 0.00 0.00 175.52 175.11 1n04 h LEU 132 N 0.54 0.58 -0.80 2.58 4.07 0.32 -0.62 115.31 121.98 1n04 h LEU 132 Ca 0.11 -0.44 -0.10 0.00 0.08 0.00 0.00 57.88 57.53 1n04 h LEU 132 Cb 0.42 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1n04 h LEU 132 CO 0.02 1.23 -0.18 -0.07 -1.08 0.00 0.00 178.44 178.36 1n04 h LEU 133 N 0.27 0.71 -0.21 1.67 3.38 0.07 -2.67 115.31 118.52 1n04 h LEU 133 Ca -0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1n04 h LEU 133 Cb 1.53 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1n04 h LEU 133 CO 0.16 0.89 0.08 -0.74 0.09 0.00 0.00 178.44 178.92 1n04 h HIS 134 N 0.63 0.33 0.00 1.13 2.76 -0.26 -3.04 115.15 116.71 1n04 h HIS 134 Ca 0.10 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1n04 h HIS 134 Cb 0.66 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.52 1n04 h HIS 134 CO 0.03 0.37 0.00 0.54 -1.30 0.00 0.00 177.93 177.58 1n04 n ARG 135 N -4.81 0.53 -0.37 5.26 1.74 -0.26 -4.88 116.66 113.87 1n04 n ARG 135 Ca -0.04 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1n04 n ARG 135 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1n04 n ARG 135 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n04 n GLY 136 N 0.57 1.83 0.20 -0.13 0.00 -1.07 -4.89 105.19 101.70 1n04 n GLY 136 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1n04 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n04 h ALA 137 N 0.00 0.57 -3.07 4.61 0.00 -1.76 -3.39 119.26 116.23 1n04 h ALA 137 Ca 0.00 -0.09 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 1n04 h ALA 137 Cb 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.50 1n04 h ALA 137 CO 0.00 0.10 -0.50 0.42 0.00 0.00 0.00 179.25 179.27 1n04 s ILE 138 N -5.86 5.32 -0.22 0.00 1.01 -1.06 -5.01 121.20 115.39 1n04 s ILE 138 Ca -0.13 0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 1n04 s ILE 138 Cb 0.11 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1n04 s ILE 138 CO 0.75 0.51 0.50 -0.70 0.00 0.00 0.00 174.94 175.99 1n04 s GLU 139 N -0.15 4.16 -0.30 2.79 2.12 -1.26 -4.45 118.70 121.61 1n04 s GLU 139 Ca 0.10 0.36 -0.12 0.00 0.36 0.00 0.00 54.97 55.66 1n04 s GLU 139 Cb -0.12 -3.58 0.17 0.00 0.26 0.00 0.00 34.13 30.87 1n04 s GLU 139 CO 0.00 -0.18 0.96 -0.46 -0.54 0.00 0.00 175.26 175.04 1n04 s TRP 140 N 1.76 -0.75 -0.11 5.30 -0.00 -1.26 -4.85 118.94 119.03 1n04 s TRP 140 Ca 0.22 0.99 0.06 0.00 -0.00 0.00 0.00 56.10 57.38 1n04 s TRP 140 Cb -0.15 0.34 -0.24 0.00 -0.00 0.00 0.00 33.47 33.41 1n04 s TRP 140 CO 0.09 -0.39 0.41 -0.85 -0.00 0.00 0.00 176.95 176.21 1n04 n GLU 141 N 5.25 0.68 -3.92 5.86 0.28 -1.26 -5.02 120.64 122.51 1n04 n GLU 141 Ca -0.07 0.23 0.03 0.00 -0.16 0.00 0.00 57.16 57.19 1n04 n GLU 141 Cb 0.53 -1.71 0.01 0.00 1.43 0.00 0.00 31.44 31.70 1n04 n GLU 141 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1n04 s GLY 142 N -5.45 -0.21 0.07 -1.84 0.00 -1.26 -4.26 107.32 94.38 1n04 s GLY 142 Ca -0.14 0.21 0.07 0.00 0.00 0.00 0.00 44.72 44.86 1n04 s GLY 142 CO 0.79 4.88 1.23 0.29 0.00 0.00 0.00 173.10 180.28 1n04 n ILE 143 N -0.84 1.60 0.69 0.90 -5.35 -1.26 -0.85 119.36 114.25 1n04 n ILE 143 Ca 0.02 0.48 0.12 0.00 -0.27 0.00 0.00 62.75 63.10 1n04 n ILE 143 Cb 0.59 -1.44 0.20 0.00 -1.74 0.00 0.00 39.64 37.26 1n04 n ILE 143 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1n04 n GLU 144 N -1.67 0.21 0.00 6.28 2.13 -1.26 -3.11 120.64 123.23 1n04 n GLU 144 Ca 0.00 0.06 0.13 0.00 0.66 0.00 0.00 57.16 58.02 1n04 n GLU 144 Cb 0.05 -1.63 0.44 0.00 0.27 0.00 0.00 31.44 30.57 1n04 n GLU 144 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1n04 n SER 145 N -1.94 1.25 0.00 4.31 3.41 -0.03 -5.01 113.62 115.61 1n04 n SER 145 Ca 0.04 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1n04 n SER 145 Cb 0.41 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1n04 n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n04 n GLY 146 N 1.27 2.63 3.75 5.00 0.00 -1.18 -4.97 105.19 111.68 1n04 n GLY 146 Ca 0.15 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 1n04 n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n04 s SER 147 N 0.00 4.39 0.46 1.61 1.04 -1.26 -4.35 113.70 115.59 1n04 s SER 147 Ca 0.00 2.02 0.25 0.00 0.48 0.00 0.00 55.95 58.70 1n04 s SER 147 Cb 0.00 -2.55 1.02 0.00 0.10 0.00 0.00 66.02 64.59 1n04 s SER 147 CO 0.00 -2.11 1.87 0.58 0.98 0.00 0.00 173.24 174.55 1n04 h VAL 148 N -0.75 0.50 0.00 5.02 2.07 -1.92 -3.04 116.25 118.12 1n04 h VAL 148 Ca -0.45 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 1n04 h VAL 148 Cb 1.25 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1n04 h VAL 148 CO 0.50 0.19 -0.11 -0.33 0.02 0.00 0.00 177.57 177.85 1n04 h GLU 149 N 0.00 0.07 -0.94 1.57 5.08 -1.99 -2.52 114.58 115.85 1n04 h GLU 149 Ca -0.00 -0.08 0.25 0.00 -1.00 0.00 0.00 59.36 58.53 1n04 h GLU 149 Cb 0.68 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.83 1n04 h GLU 149 CO 0.03 0.87 0.46 0.37 -1.00 0.00 0.00 179.01 179.73 1n04 h GLN 150 N -0.70 0.40 0.36 2.33 4.15 -1.91 0.26 115.11 120.01 1n04 h GLN 150 Ca -0.01 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1n04 h GLN 150 Cb 0.90 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.51 1n04 h GLN 150 CO 0.02 0.27 -0.17 0.00 -1.93 0.00 0.00 178.83 177.01 1n04 h ALA 151 N 1.75 -0.49 -0.81 3.38 0.00 -1.57 -2.75 119.26 118.77 1n04 h ALA 151 Ca 0.61 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 55.55 1n04 h ALA 151 Cb 1.22 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1n04 h ALA 151 CO -0.54 -0.54 0.56 0.28 0.00 0.00 0.00 179.25 179.01 1n04 h VAL 152 N -0.95 0.65 0.00 0.00 2.07 -0.77 0.18 116.25 117.42 1n04 h VAL 152 Ca -0.05 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1n04 h VAL 152 Cb 0.53 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1n04 h VAL 152 CO 0.08 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1n04 h ALA 153 N 1.62 1.00 0.00 1.67 0.00 -0.50 -2.69 119.26 120.35 1n04 h ALA 153 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1n04 h ALA 153 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1n04 h ALA 153 CO -0.07 0.00 -0.84 1.17 0.00 0.00 0.00 179.25 179.51 1n04 n LYS 154 N -2.51 0.05 -0.04 0.00 4.81 0.56 -4.39 118.16 116.63 1n04 n LYS 154 Ca 0.05 -0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.46 1n04 n LYS 154 Cb 0.44 -1.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.97 1n04 n LYS 154 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1n04 h PHE 155 N 0.00 0.00 -4.26 5.64 3.57 -1.18 -3.47 116.94 117.23 1n04 h PHE 155 Ca 0.00 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 61.00 1n04 h PHE 155 Cb 0.54 0.00 0.05 0.00 2.79 0.00 0.00 35.95 39.33 1n04 h PHE 155 CO 0.00 0.00 0.39 -0.06 -2.23 0.00 0.00 178.31 176.41 1n04 s PHE 156 N -1.69 3.60 -0.08 0.41 0.08 -1.03 -0.90 117.98 118.37 1n04 s PHE 156 Ca -0.07 1.28 -0.26 0.00 0.12 0.00 0.00 56.93 58.00 1n04 s PHE 156 Cb 0.01 -2.70 -0.25 0.00 -0.57 0.00 0.00 43.02 39.51 1n04 s PHE 156 CO 0.10 -0.60 0.93 0.66 -0.10 0.00 0.00 175.22 176.21 1n04 h SER 157 N -0.06 0.18 -5.07 1.36 4.64 -0.96 -3.44 113.55 110.19 1n04 h SER 157 Ca -0.45 -0.87 -0.10 0.00 -0.47 0.00 0.00 61.79 59.91 1n04 h SER 157 Cb 1.19 -0.06 -0.17 0.00 -0.31 0.00 0.00 62.40 63.06 1n04 h SER 157 CO 0.62 1.03 -0.30 0.00 -0.87 0.00 0.00 176.83 177.31 1n04 s ALA 158 N -2.76 -0.56 0.33 5.18 0.00 -1.26 -5.00 121.76 117.70 1n04 s ALA 158 Ca -0.16 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.54 1n04 s ALA 158 Cb -0.00 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1n04 s ALA 158 CO 0.74 -0.41 0.64 -1.12 0.00 0.00 0.00 175.76 175.60 1n04 s SER 159 N -2.15 0.18 -0.22 0.00 0.01 -1.10 -2.07 113.70 108.34 1n04 s SER 159 Ca -0.04 -1.10 -0.01 0.00 1.31 0.00 0.00 55.95 56.10 1n04 s SER 159 Cb -0.00 0.73 0.06 0.00 0.21 0.00 0.00 66.02 67.02 1n04 s SER 159 CO -0.04 -1.42 0.01 0.00 0.41 0.00 0.00 173.24 172.19 1n04 n VAL 161 N 4.90 1.44 -1.53 0.00 0.31 0.40 -1.19 118.33 122.66 1n04 n VAL 161 Ca -0.09 -4.77 -0.36 0.00 -0.01 0.00 0.00 64.34 59.11 1n04 n VAL 161 Cb 0.46 -2.15 -0.10 0.00 -0.91 0.00 0.00 33.84 31.14 1n04 n VAL 161 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1n04 n PRO 162 N 2.00 0.50 0.00 5.55 -0.02 -1.26 -0.39 135.00 141.38 1n04 n PRO 162 Ca 0.21 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1n04 n PRO 162 Cb 0.36 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1n04 n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n04 n GLY 163 N 6.24 1.21 3.76 -1.23 0.00 -1.08 -1.93 105.19 112.16 1n04 n GLY 163 Ca 0.52 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.13 1n04 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n04 s ALA 164 N -0.40 3.48 0.00 4.61 0.00 0.47 -4.86 121.76 125.05 1n04 s ALA 164 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1n04 s ALA 164 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1n04 s ALA 164 CO 0.00 -0.51 0.00 0.25 0.00 0.00 0.00 175.76 175.50 1n04 n THR 165 N 1.06 0.00 -0.07 0.00 -2.24 -1.26 -4.91 114.28 106.86 1n04 n THR 165 Ca 0.00 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1n04 n THR 165 Cb 0.43 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.37 1n04 n THR 165 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1n04 h ILE 166 N 0.00 0.59 -3.54 2.28 2.04 -2.01 -3.45 117.51 113.41 1n04 h ILE 166 Ca 0.00 -1.57 -0.61 0.00 1.00 0.00 0.00 64.86 63.68 1n04 h ILE 166 Cb 0.00 1.24 -0.12 0.00 -0.74 0.00 0.00 36.82 37.20 1n04 h ILE 166 CO 0.00 0.20 -0.17 -0.70 0.00 0.00 0.00 178.15 177.48 1n04 s GLU 167 N -2.11 4.13 0.08 2.37 2.56 -1.26 -4.98 118.70 119.49 1n04 s GLU 167 Ca -0.16 0.20 -0.32 0.00 0.00 0.00 0.00 54.97 54.69 1n04 s GLU 167 Cb 0.02 -3.58 -0.17 0.00 2.00 0.00 0.00 34.13 32.40 1n04 s GLU 167 CO 0.36 -0.14 1.63 1.96 -0.56 0.00 0.00 175.26 178.51 1n04 h GLN 168 N 7.63 -0.78 -0.49 4.30 7.50 -1.97 -2.83 115.11 128.47 1n04 h GLN 168 Ca -0.34 0.05 0.14 0.00 0.50 0.00 0.00 58.65 59.00 1n04 h GLN 168 Cb 1.16 0.18 -0.02 0.00 0.05 0.00 0.00 27.48 28.85 1n04 h GLN 168 CO 0.70 -0.52 0.71 0.87 -1.50 0.00 0.00 178.83 179.09 1n04 h LYS 169 N -0.81 0.00 0.00 1.46 1.57 -1.94 -0.35 116.57 116.50 1n04 h LYS 169 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1n04 h LYS 169 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1n04 h LYS 169 CO 0.07 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 1n04 n LEU 170 N -3.32 0.00 0.00 2.94 4.77 -1.07 -2.61 117.00 117.71 1n04 n LEU 170 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1n04 n LEU 170 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1n04 n LEU 170 CO 0.21 0.00 0.09 0.00 -1.33 0.00 0.00 177.39 176.36 1n04 h ARG 172 N 0.00 0.47 -0.06 0.00 9.65 -1.31 -2.20 114.38 120.93 1n04 h ARG 172 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1n04 h ARG 172 Cb 0.11 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1n04 h ARG 172 CO 0.00 0.31 0.00 1.04 2.80 0.00 0.00 179.97 184.12 1n04 n GLN 173 N -4.96 1.48 -2.49 0.20 1.13 -0.70 -4.91 117.38 107.13 1n04 n GLN 173 Ca 0.13 -0.70 -0.38 0.00 -1.94 0.00 0.00 57.00 54.11 1n04 n GLN 173 Cb 0.36 -1.43 -0.04 0.00 0.11 0.00 0.00 30.24 29.24 1n04 n GLN 173 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n04 s LYS 175 N -2.25 3.54 0.00 0.00 2.20 -1.26 -5.01 119.74 116.97 1n04 s LYS 175 Ca 0.55 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1n04 s LYS 175 Cb -0.25 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1n04 s LYS 175 CO 0.32 0.58 0.00 0.41 -0.36 0.00 0.00 175.35 176.30 1n04 n GLY 176 N 2.59 0.41 3.74 5.54 0.00 -1.26 -4.34 105.19 111.86 1n04 n GLY 176 Ca -0.18 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 1n04 n GLY 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n04 s ASP 177 N -4.00 7.13 0.49 1.61 1.11 -1.26 -4.70 116.67 117.05 1n04 s ASP 177 Ca 0.00 2.18 0.38 0.00 0.18 0.00 0.00 52.55 55.29 1n04 s ASP 177 Cb 0.00 -2.60 1.55 0.00 1.07 0.00 0.00 42.92 42.94 1n04 s ASP 177 CO 0.00 -0.34 1.62 -0.65 1.18 0.00 0.00 175.17 176.98 1n04 h PRO 178 N 5.32 0.04 0.00 8.23 0.11 -1.98 0.61 132.00 144.33 1n04 h PRO 178 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1n04 h PRO 178 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1n04 h PRO 178 CO 0.74 0.03 -0.64 1.63 -0.21 0.00 0.00 178.00 179.55 1n04 n LYS 179 N -4.39 0.24 -0.23 1.05 4.01 -1.26 -4.40 118.16 113.17 1n04 n LYS 179 Ca 0.39 0.06 0.01 0.00 -0.51 0.00 0.00 58.31 58.25 1n04 n LYS 179 Cb 1.62 -1.64 0.01 0.00 -0.51 0.00 0.00 35.03 34.51 1n04 n LYS 179 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1n04 n THR 180 N -1.98 0.17 1.43 -0.18 -2.24 0.17 -4.81 114.28 106.84 1n04 n THR 180 Ca 0.04 -0.19 0.14 0.00 -2.27 0.00 0.00 64.05 61.76 1n04 n THR 180 Cb 0.42 0.67 0.74 0.00 -2.10 0.00 0.00 70.33 70.05 1n04 n THR 180 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1n04 n LYS 181 N -0.11 0.50 -2.11 -0.78 2.85 0.12 -3.60 118.16 115.03 1n04 n LYS 181 Ca 0.01 0.02 -0.23 0.00 -1.05 0.00 0.00 58.31 57.05 1n04 n LYS 181 Cb 0.59 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.49 1n04 n LYS 181 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n04 s ALA 183 N -3.60 4.38 -1.98 0.00 0.00 -1.24 -2.64 121.76 116.69 1n04 s ALA 183 Ca 0.50 -1.56 0.24 0.00 0.00 0.00 0.00 51.96 51.13 1n04 s ALA 183 Cb 0.41 -1.67 1.42 0.00 0.00 0.00 0.00 23.12 23.27 1n04 s ALA 183 CO 0.01 -0.20 1.79 0.54 0.00 0.00 0.00 175.76 177.91 1n04 n ARG 184 N -1.78 0.73 0.00 0.00 1.74 -1.26 -2.30 116.66 113.78 1n04 n ARG 184 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1n04 n ARG 184 Cb 0.59 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1n04 n ARG 184 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1n04 n ASN 185 N -1.01 0.39 -4.32 0.55 2.04 -1.26 -4.76 115.26 106.89 1n04 n ASN 185 Ca 0.18 -1.12 -0.32 0.00 -0.44 0.00 0.00 54.58 52.88 1n04 n ASN 185 Cb 0.09 0.00 0.16 0.00 -2.53 0.00 0.00 39.78 37.50 1n04 n ASN 185 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1n04 n ALA 186 N -0.06 -3.70 -0.13 -2.53 0.00 -0.97 -4.82 120.51 108.29 1n04 n ALA 186 Ca 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 53.44 52.29 1n04 n ALA 186 Cb 0.29 -1.61 0.04 0.00 0.00 0.00 0.00 19.45 18.17 1n04 n ALA 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1n04 h PRO 187 N -1.97 0.12 -1.82 0.00 0.11 -1.87 -2.66 132.00 123.92 1n04 h PRO 187 Ca -0.51 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.27 1n04 h PRO 187 Cb 1.34 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.30 1n04 h PRO 187 CO 0.38 0.08 0.23 0.66 -0.21 0.00 0.00 178.00 179.14 1n04 n TYR 188 N -5.19 1.12 -4.37 0.65 4.01 -1.26 -4.32 117.16 107.81 1n04 n TYR 188 Ca 0.04 -1.77 -0.26 0.00 -0.16 0.00 0.00 57.90 55.75 1n04 n TYR 188 Cb 0.22 -1.15 -0.10 0.00 -0.31 0.00 0.00 39.34 38.01 1n04 n TYR 188 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1n04 s SER 189 N 0.75 3.85 0.11 7.72 1.04 -1.01 -3.93 113.70 122.23 1n04 s SER 189 Ca 0.42 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1n04 s SER 189 Cb 0.27 -0.48 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1n04 s SER 189 CO -0.08 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1n04 n GLY 190 N -0.05 -2.10 0.25 7.32 0.00 0.14 -2.30 105.19 108.46 1n04 n GLY 190 Ca -0.10 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 1n04 n GLY 190 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1n04 h TYR 191 N -0.19 -0.55 -0.53 1.61 0.05 -1.94 -2.28 116.97 113.16 1n04 h TYR 191 Ca 0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1n04 h TYR 191 Cb 0.18 0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 1n04 h TYR 191 CO 0.00 -0.33 0.21 0.77 -1.05 0.00 0.00 178.16 177.76 1n04 h SER 192 N -0.55 0.73 -0.11 3.88 0.02 -1.91 -2.59 113.55 113.02 1n04 h SER 192 Ca -0.04 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1n04 h SER 192 Cb 0.44 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1n04 h SER 192 CO 0.06 0.70 -0.12 1.23 -1.14 0.00 0.00 176.83 177.56 1n04 h GLY 193 N 0.71 -0.05 1.30 -3.77 0.00 -1.44 -1.40 103.07 98.43 1n04 h GLY 193 Ca 0.18 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.74 1n04 h GLY 193 CO -0.01 -0.13 0.26 0.00 0.00 0.00 0.00 176.54 176.66 1n04 h ALA 194 N 0.91 2.11 0.13 3.60 0.00 -1.27 -0.66 119.26 124.09 1n04 h ALA 194 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1n04 h ALA 194 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1n04 h ALA 194 CO -0.20 -0.42 -0.06 0.35 0.00 0.00 0.00 179.25 178.91 1n04 h PHE 195 N 0.00 -0.17 -0.31 0.00 3.57 -0.89 -3.08 116.94 116.07 1n04 h PHE 195 Ca 0.15 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1n04 h PHE 195 Cb 0.67 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1n04 h PHE 195 CO 0.00 0.28 0.22 0.45 -2.23 0.00 0.00 178.31 177.03 1n04 h HIS 196 N -0.89 0.14 -0.71 0.41 3.86 -0.65 0.14 115.15 117.45 1n04 h HIS 196 Ca -0.02 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1n04 h HIS 196 Cb 0.53 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.91 1n04 h HIS 196 CO 0.10 0.08 0.46 0.00 0.86 0.00 0.00 177.93 179.42 1n04 h LEU 198 N 0.92 0.67 -0.10 0.00 7.12 -0.82 -2.39 115.31 120.71 1n04 h LEU 198 Ca 0.27 -0.50 0.04 0.00 0.13 0.00 0.00 57.88 57.82 1n04 h LEU 198 Cb -0.04 -0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 39.85 1n04 h LEU 198 CO -0.08 1.04 -0.21 0.50 -0.13 0.00 0.00 178.44 179.56 1n04 h LYS 199 N 0.31 -0.27 -1.26 1.25 3.64 -0.13 -1.97 116.57 118.14 1n04 h LYS 199 Ca 0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1n04 h LYS 199 Cb 0.88 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1n04 h LYS 199 CO 0.07 -0.18 0.00 -0.25 -2.27 0.00 0.00 179.45 176.82 1n04 n ASP 200 N -5.34 1.89 0.00 4.20 8.00 0.25 -4.79 116.55 120.76 1n04 n ASP 200 Ca -0.03 -1.35 0.00 0.00 0.71 0.00 0.00 54.79 54.12 1n04 n ASP 200 Cb 0.26 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1n04 n ASP 200 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n04 n GLY 201 N 0.61 0.57 0.00 0.44 0.00 -0.74 -4.78 105.19 101.29 1n04 n GLY 201 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1n04 n GLY 201 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n04 n LYS 202 N -2.00 0.06 -3.64 1.61 4.76 -0.90 -4.66 118.16 113.38 1n04 n LYS 202 Ca 0.00 0.28 -0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1n04 n LYS 202 Cb 0.00 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.61 1n04 n LYS 202 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1n04 s GLY 203 N -2.71 -0.49 0.00 0.72 0.00 -1.19 -4.65 107.32 99.00 1n04 s GLY 203 Ca 0.05 1.74 0.30 0.00 0.00 0.00 0.00 44.72 46.81 1n04 s GLY 203 CO 0.10 1.48 1.99 1.22 0.00 0.00 0.00 173.10 177.89 1n04 n ASP 204 N 2.51 0.17 -3.63 1.64 8.00 0.44 -4.52 116.55 121.16 1n04 n ASP 204 Ca -0.15 -0.35 -0.16 0.00 0.71 0.00 0.00 54.79 54.85 1n04 n ASP 204 Cb 0.56 -0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 1n04 n ASP 204 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n04 s VAL 205 N -2.51 0.02 -0.05 2.53 1.01 -1.10 -4.47 120.40 115.83 1n04 s VAL 205 Ca 0.30 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1n04 s VAL 205 Cb 0.20 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1n04 s VAL 205 CO 0.46 -0.10 -0.13 0.00 0.00 0.00 0.00 175.10 175.33 1n04 s ALA 206 N -1.06 1.25 -0.51 5.51 0.00 0.24 0.41 121.76 127.61 1n04 s ALA 206 Ca -0.11 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 1n04 s ALA 206 Cb -0.02 -0.50 0.13 0.00 0.00 0.00 0.00 23.12 22.72 1n04 s ALA 206 CO 0.07 0.16 0.40 -0.06 0.00 0.00 0.00 175.76 176.33 1n04 s PHE 207 N 0.42 3.43 0.02 0.00 0.08 -0.95 0.53 117.98 121.51 1n04 s PHE 207 Ca -0.10 -1.86 0.00 0.00 0.12 0.00 0.00 56.93 55.10 1n04 s PHE 207 Cb -0.13 -3.54 -0.00 0.00 -0.57 0.00 0.00 43.02 38.77 1n04 s PHE 207 CO 0.03 -0.99 0.01 1.33 -0.10 0.00 0.00 175.22 175.50 1n04 n VAL 208 N 4.81 0.00 -3.66 -0.44 0.24 -0.48 -3.68 118.33 115.12 1n04 n VAL 208 Ca -0.06 -0.12 -0.27 0.00 -2.04 0.00 0.00 64.34 61.84 1n04 n VAL 208 Cb 0.41 0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 1n04 n VAL 208 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1n04 s LYS 209 N -2.07 3.53 0.17 7.34 -2.85 -1.26 0.86 119.74 125.46 1n04 s LYS 209 Ca 0.01 -0.31 0.01 0.00 -1.00 0.00 0.00 55.97 54.69 1n04 s LYS 209 Cb 0.00 -2.82 0.08 0.00 -2.06 0.00 0.00 37.83 33.03 1n04 s LYS 209 CO 0.01 0.38 0.72 -2.39 0.10 0.00 0.00 175.35 174.17 1n04 n HIS 210 N -0.71 0.05 -0.01 1.78 1.44 0.19 -0.23 115.22 117.74 1n04 n HIS 210 Ca -0.04 0.03 0.06 0.00 -2.01 0.00 0.00 57.72 55.75 1n04 n HIS 210 Cb 0.54 -0.11 -0.09 0.00 0.12 0.00 0.00 29.99 30.45 1n04 n HIS 210 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1n04 n THR 211 N -1.45 0.02 -0.35 0.61 -2.24 -1.26 -4.75 114.28 104.87 1n04 n THR 211 Ca -0.00 -0.28 -0.05 0.00 -2.27 0.00 0.00 64.05 61.45 1n04 n THR 211 Cb 0.55 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 1n04 n THR 211 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1n04 n THR 212 N -1.93 -0.52 0.25 4.28 -1.04 0.68 0.10 114.28 116.09 1n04 n THR 212 Ca -0.03 2.06 0.13 0.00 -2.04 0.00 0.00 64.05 64.17 1n04 n THR 212 Cb 0.33 -2.63 0.78 0.00 -1.82 0.00 0.00 70.33 67.00 1n04 n THR 212 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1n04 h VAL 213 N 0.00 0.71 0.17 12.58 2.07 -1.85 -2.45 116.25 127.48 1n04 h VAL 213 Ca 0.22 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.42 1n04 h VAL 213 Cb 0.43 0.96 0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1n04 h VAL 213 CO -0.83 0.00 -1.33 -1.13 0.02 0.00 0.00 177.57 174.29 1n04 h ASN 214 N 0.00 0.88 -0.18 0.57 -1.24 -0.65 -2.08 115.58 112.88 1n04 h ASN 214 Ca 0.03 -0.85 0.00 0.00 0.71 0.00 0.00 56.30 56.19 1n04 h ASN 214 Cb 0.15 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.92 1n04 h ASN 214 CO -0.00 1.66 0.00 -1.84 -1.29 0.00 0.00 177.43 175.95 1n04 n GLU 215 N -3.77 2.01 0.00 6.67 0.28 -0.73 -3.74 120.64 121.36 1n04 n GLU 215 Ca -0.15 -0.90 0.00 0.00 -0.16 0.00 0.00 57.16 55.95 1n04 n GLU 215 Cb 1.03 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 32.30 1n04 n GLU 215 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1n04 n ASN 216 N 0.17 0.67 -2.74 -1.84 3.02 -1.08 -3.53 115.26 109.93 1n04 n ASN 216 Ca 0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.54 1n04 n ASN 216 Cb 0.45 0.04 0.07 0.00 -0.61 0.00 0.00 39.78 39.74 1n04 n ASN 216 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n04 n ALA 217 N -1.13 -0.97 -0.03 5.41 0.00 -0.78 -4.60 120.51 118.41 1n04 n ALA 217 Ca 0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 53.44 51.85 1n04 n ALA 217 Cb 0.07 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 1n04 n ALA 217 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1n04 h PRO 218 N 3.37 -0.41 0.00 0.00 0.11 -1.65 -2.47 132.00 130.95 1n04 h PRO 218 Ca -0.11 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1n04 h PRO 218 Cb 1.07 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1n04 h PRO 218 CO 0.21 -0.27 0.00 -0.25 -0.21 0.00 0.00 178.00 177.47 1n04 n ASP 219 N -4.79 0.01 -0.62 -2.05 8.00 -1.26 -2.07 116.55 113.77 1n04 n ASP 219 Ca -0.04 0.51 0.06 0.00 0.71 0.00 0.00 54.79 56.02 1n04 n ASP 219 Cb 0.29 -0.51 0.20 0.00 -0.02 0.00 0.00 41.12 41.08 1n04 n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n04 n GLN 220 N -1.52 1.95 -0.28 -1.24 3.00 -0.94 -4.72 117.38 113.63 1n04 n GLN 220 Ca 0.01 -2.89 0.05 0.00 -0.01 0.00 0.00 57.00 54.16 1n04 n GLN 220 Cb 0.04 -1.69 0.27 0.00 0.00 0.00 0.00 30.24 28.86 1n04 n GLN 220 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1n04 h LYS 221 N 0.90 0.93 0.00 -1.09 3.64 -1.35 -1.55 116.57 118.05 1n04 h LYS 221 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1n04 h LYS 221 Cb 1.27 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1n04 h LYS 221 CO 0.15 0.61 0.00 -0.40 -2.27 0.00 0.00 179.45 177.54 1n04 n ASP 222 N -4.50 0.46 -1.21 4.20 5.75 -1.26 -1.18 116.55 118.81 1n04 n ASP 222 Ca 0.14 0.70 0.07 0.00 -0.01 0.00 0.00 54.79 55.68 1n04 n ASP 222 Cb 0.24 -0.77 0.25 0.00 -1.03 0.00 0.00 41.12 39.81 1n04 n ASP 222 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1n04 n GLU 223 N -2.11 2.95 -4.07 0.11 1.02 -0.58 -4.81 120.64 113.15 1n04 n GLU 223 Ca -0.01 -2.02 -0.08 0.00 -0.02 0.00 0.00 57.16 55.04 1n04 n GLU 223 Cb 0.05 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 29.66 1n04 n GLU 223 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1n04 s TYR 224 N -1.77 0.54 0.21 -0.32 2.02 -0.33 -1.75 117.35 115.95 1n04 s TYR 224 Ca 0.36 -1.04 -0.07 0.00 -0.37 0.00 0.00 57.07 55.95 1n04 s TYR 224 Cb 0.23 -0.36 -0.02 0.00 -0.40 0.00 0.00 41.96 41.41 1n04 s TYR 224 CO 0.17 -0.43 0.29 -1.21 -1.57 0.00 0.00 175.55 172.80 1n04 s GLU 225 N -3.94 1.31 0.18 -0.62 2.02 -1.00 -4.41 118.70 112.24 1n04 s GLU 225 Ca 0.10 -1.38 0.05 0.00 0.02 0.00 0.00 54.97 53.76 1n04 s GLU 225 Cb 0.07 0.37 -0.04 0.00 0.10 0.00 0.00 34.13 34.64 1n04 s GLU 225 CO -0.08 -0.49 0.17 -0.51 0.02 0.00 0.00 175.26 174.37 1n04 s LEU 226 N -3.06 3.87 -0.73 1.80 1.43 0.32 -1.14 118.68 121.17 1n04 s LEU 226 Ca 0.27 -0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.21 1n04 s LEU 226 Cb 0.03 -2.46 0.19 0.00 0.03 0.00 0.00 46.19 43.98 1n04 s LEU 226 CO 0.08 0.04 0.59 -0.22 0.23 0.00 0.00 176.35 177.07 1n04 s LEU 227 N -3.27 5.64 0.76 1.79 2.96 -0.27 -2.23 118.68 124.06 1n04 s LEU 227 Ca 0.32 -3.01 -0.13 0.00 -0.22 0.00 0.00 54.13 51.09 1n04 s LEU 227 Cb -0.10 -1.95 0.05 0.00 0.50 0.00 0.00 46.19 44.70 1n04 s LEU 227 CO 0.24 -0.37 1.13 0.00 -1.32 0.00 0.00 176.35 176.03 1n04 h LEU 229 N -0.76 0.45 -0.11 0.00 3.38 -1.84 -3.10 115.31 113.33 1n04 h LEU 229 Ca -0.45 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1n04 h LEU 229 Cb 1.25 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1n04 h LEU 229 CO 0.50 0.65 0.00 -0.90 0.09 0.00 0.00 178.44 178.78 1n04 n ASP 230 N -4.18 0.08 0.00 -0.43 3.85 -1.26 -4.79 116.55 109.82 1n04 n ASP 230 Ca 0.00 -1.36 0.00 0.00 -0.71 0.00 0.00 54.79 52.72 1n04 n ASP 230 Cb 0.35 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 1n04 n ASP 230 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n04 n GLY 231 N 0.18 0.15 4.01 6.12 0.00 -1.17 -5.07 105.19 109.40 1n04 n GLY 231 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1n04 n GLY 231 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n04 s SER 232 N -2.12 4.65 0.03 1.61 1.04 -1.25 -4.54 113.70 113.12 1n04 s SER 232 Ca 0.00 -0.53 0.07 0.00 0.48 0.00 0.00 55.95 55.97 1n04 s SER 232 Cb 0.00 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1n04 s SER 232 CO 0.00 -1.64 -0.21 -0.13 0.98 0.00 0.00 173.24 172.24 1n04 s ARG 233 N -4.95 1.45 -0.04 4.02 0.52 -1.26 -0.60 118.95 118.10 1n04 s ARG 233 Ca 0.64 -0.88 -0.13 0.00 -0.52 0.00 0.00 55.73 54.85 1n04 s ARG 233 Cb -0.06 -1.52 0.02 0.00 0.52 0.00 0.00 34.95 33.91 1n04 s ARG 233 CO 0.42 0.40 0.28 -0.65 0.02 0.00 0.00 175.30 175.77 1n04 s GLN 234 N -0.99 0.56 0.27 3.54 -0.21 -0.95 -4.92 119.66 116.96 1n04 s GLN 234 Ca 0.07 -0.07 -0.30 0.00 0.02 0.00 0.00 55.36 55.08 1n04 s GLN 234 Cb -0.09 0.25 -0.13 0.00 1.00 0.00 0.00 33.01 34.04 1n04 s GLN 234 CO 0.01 -0.14 1.29 -0.35 -2.12 0.00 0.00 175.29 173.99 1n04 n PRO 235 N 1.70 1.89 -0.55 2.91 -0.04 -1.26 -0.52 135.00 139.12 1n04 n PRO 235 Ca -0.20 0.67 0.44 0.00 -0.04 0.00 0.00 63.50 64.37 1n04 n PRO 235 Cb 0.56 -2.25 0.67 0.00 -0.04 0.00 0.00 33.50 32.45 1n04 n PRO 235 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1n04 n VAL 236 N 1.16 0.00 1.87 0.52 0.31 -1.26 0.91 118.33 121.84 1n04 n VAL 236 Ca 0.10 1.31 0.14 0.00 -0.01 0.00 0.00 64.34 65.87 1n04 n VAL 236 Cb 0.32 -2.21 0.76 0.00 -0.91 0.00 0.00 33.84 31.80 1n04 n VAL 236 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n04 n ASP 237 N -3.60 0.34 -2.06 4.52 8.00 -1.26 -3.58 116.55 118.92 1n04 n ASP 237 Ca 0.37 -1.22 -0.10 0.00 0.71 0.00 0.00 54.79 54.55 1n04 n ASP 237 Cb 1.75 -0.01 0.28 0.00 -0.02 0.00 0.00 41.12 43.12 1n04 n ASP 237 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1n04 n ASN 238 N -0.68 4.63 -0.11 -2.24 4.13 0.26 -4.66 115.26 116.59 1n04 n ASN 238 Ca 0.20 -3.27 0.20 0.00 1.68 0.00 0.00 54.58 53.39 1n04 n ASN 238 Cb 0.15 -0.77 0.62 0.00 -1.54 0.00 0.00 39.78 38.25 1n04 n ASN 238 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 1n04 h TYR 239 N 2.34 0.21 -0.64 3.10 -0.00 -1.76 -1.02 116.97 119.21 1n04 h TYR 239 Ca 0.34 0.01 -0.09 0.00 -0.00 0.00 0.00 58.73 58.99 1n04 h TYR 239 Cb 2.44 -0.07 -0.02 0.00 -0.00 0.00 0.00 36.73 39.08 1n04 h TYR 239 CO 1.35 0.07 0.06 0.87 -0.00 0.00 0.00 178.16 180.51 1n04 h LYS 240 N 0.18 1.08 -0.85 0.10 1.57 -1.93 -2.52 116.57 114.20 1n04 h LYS 240 Ca 0.34 -0.31 -0.38 0.00 -1.87 0.00 0.00 60.65 58.43 1n04 h LYS 240 Cb 1.10 -0.12 -0.23 0.00 0.08 0.00 0.00 32.23 33.07 1n04 h LYS 240 CO -0.06 1.02 0.46 0.25 -0.57 0.00 0.00 179.45 180.54 1n04 n THR 241 N -4.20 3.06 -2.67 -0.16 -2.24 -0.48 -4.65 114.28 102.95 1n04 n THR 241 Ca 0.04 -1.89 -0.05 0.00 -2.27 0.00 0.00 64.05 59.89 1n04 n THR 241 Cb 0.32 -0.42 0.07 0.00 -2.10 0.00 0.00 70.33 68.20 1n04 n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n04 s ASN 243 N -0.16 1.91 -0.00 0.00 2.20 -1.13 -4.47 114.94 113.29 1n04 s ASN 243 Ca 0.26 -1.63 0.15 0.00 -0.94 0.00 0.00 52.86 50.70 1n04 s ASN 243 Cb 0.20 0.45 -0.17 0.00 -2.00 0.00 0.00 41.25 39.72 1n04 s ASN 243 CO -0.09 -0.93 0.63 0.79 -2.94 0.00 0.00 177.10 174.56 1n04 n TRP 244 N -0.68 0.00 0.00 1.54 7.02 0.19 -4.68 117.44 120.84 1n04 n TRP 244 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1n04 n TRP 244 Cb 0.64 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.51 1n04 n TRP 244 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1n04 n ALA 245 N -1.40 0.00 -3.49 6.99 0.00 -1.25 -4.96 120.51 116.40 1n04 n ALA 245 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 1n04 n ALA 245 Cb 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.53 1n04 n ALA 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n04 s ARG 246 N -2.00 1.88 0.29 0.00 3.52 -1.26 -2.00 118.95 119.38 1n04 s ARG 246 Ca 0.00 -0.46 0.07 0.00 -0.13 0.00 0.00 55.73 55.20 1n04 s ARG 246 Cb 0.00 -1.56 -0.06 0.00 -1.56 0.00 0.00 34.95 31.77 1n04 s ARG 246 CO 0.00 0.01 -0.05 0.08 -0.81 0.00 0.00 175.30 174.53 1n04 s VAL 247 N 0.74 1.66 0.19 7.11 1.01 -0.05 -4.91 120.40 126.15 1n04 s VAL 247 Ca -0.13 -2.11 -0.30 0.00 0.00 0.00 0.00 61.98 59.43 1n04 s VAL 247 Cb -0.16 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.62 1n04 s VAL 247 CO 0.03 -0.26 1.35 0.00 0.00 0.00 0.00 175.10 176.22 1n04 s ALA 248 N -3.00 3.56 0.97 5.51 0.00 -1.26 -1.34 121.76 126.20 1n04 s ALA 248 Ca 0.30 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.30 1n04 s ALA 248 Cb 0.04 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.78 1n04 s ALA 248 CO 0.13 -0.59 0.80 0.00 0.00 0.00 0.00 175.76 176.10 1n04 n ALA 249 N 2.82 -1.90 -1.56 0.00 0.00 -0.82 -4.45 120.51 114.59 1n04 n ALA 249 Ca 0.07 -0.70 -0.36 0.00 0.00 0.00 0.00 53.44 52.46 1n04 n ALA 249 Cb 0.42 -1.99 0.08 0.00 0.00 0.00 0.00 19.45 17.96 1n04 n ALA 249 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1n04 s HIS 250 N -2.50 2.10 0.06 0.00 3.76 -1.26 -4.65 115.29 112.80 1n04 s HIS 250 Ca 0.63 1.54 0.03 0.00 -0.15 0.00 0.00 55.06 57.11 1n04 s HIS 250 Cb -0.22 -3.57 -0.03 0.00 1.11 0.00 0.00 32.58 29.87 1n04 s HIS 250 CO 0.63 -2.69 -0.08 0.00 -0.85 0.00 0.00 174.74 171.74 1n04 s ALA 251 N -1.69 0.76 -0.26 -1.40 0.00 -0.68 -1.85 121.76 116.64 1n04 s ALA 251 Ca 0.78 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 1n04 s ALA 251 Cb -0.33 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 1n04 s ALA 251 CO 0.41 -0.04 0.81 0.08 0.00 0.00 0.00 175.76 177.02 1n04 s VAL 252 N -1.89 4.83 0.10 0.00 1.01 0.13 -0.16 120.40 124.42 1n04 s VAL 252 Ca -0.04 1.47 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1n04 s VAL 252 Cb -0.06 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1n04 s VAL 252 CO -0.00 -0.11 0.03 0.68 0.00 0.00 0.00 175.10 175.69 1n04 s VAL 253 N 2.87 4.17 0.32 2.92 -7.23 -0.51 -1.08 120.40 121.85 1n04 s VAL 253 Ca 0.34 -0.96 -0.09 0.00 -1.81 0.00 0.00 61.98 59.46 1n04 s VAL 253 Cb -0.15 -3.01 0.04 0.00 0.56 0.00 0.00 36.38 33.82 1n04 s VAL 253 CO 0.09 0.09 0.58 0.00 -0.31 0.00 0.00 175.10 175.55 1n04 n ALA 254 N 0.43 -1.13 -1.77 1.32 0.00 -0.10 -3.52 120.51 115.73 1n04 n ALA 254 Ca -0.10 -1.12 -0.37 0.00 0.00 0.00 0.00 53.44 51.85 1n04 n ALA 254 Cb 0.52 0.90 -0.02 0.00 0.00 0.00 0.00 19.45 20.85 1n04 n ALA 254 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1n04 s ARG 255 N -2.24 3.91 -1.46 0.00 0.52 -1.26 0.73 118.95 119.16 1n04 s ARG 255 Ca 0.16 1.70 -0.09 0.00 -0.52 0.00 0.00 55.73 56.97 1n04 s ARG 255 Cb -0.03 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 33.00 1n04 s ARG 255 CO 0.12 -0.40 2.49 -3.47 0.02 0.00 0.00 175.30 174.05 1n04 n ASP 256 N -0.31 6.99 -3.68 0.23 2.03 -1.26 -4.60 116.55 115.96 1n04 n ASP 256 Ca 0.06 -2.87 -0.22 0.00 0.52 0.00 0.00 54.79 52.29 1n04 n ASP 256 Cb 0.48 -1.51 -0.08 0.00 -0.72 0.00 0.00 41.12 39.29 1n04 n ASP 256 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1n04 s ASP 257 N 1.68 2.10 0.51 1.67 1.47 -1.26 -5.04 116.67 117.79 1n04 s ASP 257 Ca 0.56 -1.72 0.35 0.00 1.18 0.00 0.00 52.55 52.92 1n04 s ASP 257 Cb 0.16 0.55 1.50 0.00 -0.34 0.00 0.00 42.92 44.79 1n04 s ASP 257 CO -0.06 -1.01 1.73 -0.55 0.68 0.00 0.00 175.17 175.95 1n04 h ASN 258 N 2.00 0.11 0.03 2.11 -0.00 -2.06 -2.55 115.58 115.22 1n04 h ASN 258 Ca -0.29 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.04 1n04 h ASN 258 Cb 1.25 0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 39.58 1n04 h ASN 258 CO 0.45 -0.01 -0.11 0.11 -0.00 0.00 0.00 177.43 177.87 1n04 h LYS 259 N 0.08 -0.15 0.00 4.14 1.79 -1.96 -3.28 116.57 117.18 1n04 h LYS 259 Ca 0.68 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.16 1n04 h LYS 259 Cb 2.47 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 33.16 1n04 h LYS 259 CO -0.11 -0.10 0.00 0.28 -1.08 0.00 0.00 179.45 178.44 1n04 n VAL 260 N -3.03 0.00 -0.33 0.50 0.31 -0.96 0.27 118.33 115.09 1n04 n VAL 260 Ca -0.02 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.42 1n04 n VAL 260 Cb 0.08 0.00 0.22 0.00 -0.91 0.00 0.00 33.84 33.23 1n04 n VAL 260 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1n04 h GLU 261 N 0.00 0.02 0.09 5.55 4.57 -1.79 -0.63 114.58 122.38 1n04 h GLU 261 Ca 0.00 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1n04 h GLU 261 Cb 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1n04 h GLU 261 CO 0.00 0.01 -0.04 -0.44 -1.18 0.00 0.00 179.01 177.36 1n04 h ASP 262 N 0.02 -0.10 -0.65 1.04 5.19 0.37 -3.02 116.42 119.27 1n04 h ASP 262 Ca 0.53 -0.15 0.13 0.00 -0.62 0.00 0.00 57.03 56.92 1n04 h ASP 262 Cb 0.99 0.03 -0.12 0.00 0.18 0.00 0.00 39.33 40.40 1n04 h ASP 262 CO -0.92 0.09 -0.18 0.40 -3.12 0.00 0.00 179.24 175.51 1n04 h ILE 263 N -0.28 0.32 -1.04 0.35 2.04 -1.16 1.14 117.51 118.88 1n04 h ILE 263 Ca -0.01 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.12 1n04 h ILE 263 Cb 0.24 0.32 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 1n04 h ILE 263 CO 0.02 0.00 0.69 -0.25 0.00 0.00 0.00 178.15 178.61 1n04 h TRP 264 N -0.02 0.51 -0.39 1.37 -0.00 -1.31 0.89 115.95 117.00 1n04 h TRP 264 Ca 0.31 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 59.17 1n04 h TRP 264 Cb 0.49 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 29.49 1n04 h TRP 264 CO -0.54 0.06 0.04 0.77 -0.00 0.00 0.00 178.44 178.76 1n04 h SER 265 N 0.31 0.63 -0.12 2.65 0.02 0.14 0.20 113.55 117.38 1n04 h SER 265 Ca 0.57 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1n04 h SER 265 Cb 1.60 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 1n04 h SER 265 CO -0.22 0.75 0.05 0.15 -1.14 0.00 0.00 176.83 176.41 1n04 h PHE 266 N 0.49 0.19 -0.01 3.45 3.04 0.14 -0.60 116.94 123.65 1n04 h PHE 266 Ca 0.11 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.98 1n04 h PHE 266 Cb 0.40 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1n04 h PHE 266 CO 0.03 0.28 -0.34 -0.07 -2.02 0.00 0.00 178.31 176.19 1n04 h LEU 267 N 0.04 0.01 0.05 0.59 3.38 -0.89 0.28 115.31 118.77 1n04 h LEU 267 Ca 0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1n04 h LEU 267 Cb 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1n04 h LEU 267 CO -0.00 0.35 -0.02 -1.28 0.09 0.00 0.00 178.44 177.58 1n04 h SER 268 N 0.01 -0.05 -0.19 -0.43 0.87 -0.37 -0.68 113.55 112.71 1n04 h SER 268 Ca -0.00 -0.50 -0.08 0.00 -1.23 0.00 0.00 61.79 59.98 1n04 h SER 268 Cb 0.61 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1n04 h SER 268 CO 0.04 0.50 -0.12 0.50 -0.53 0.00 0.00 176.83 177.22 1n04 h LYS 269 N -0.62 0.57 0.00 2.24 3.64 -1.04 -1.91 116.57 119.45 1n04 h LYS 269 Ca -0.01 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1n04 h LYS 269 Cb 0.55 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1n04 h LYS 269 CO 0.01 0.68 -0.09 0.00 -2.27 0.00 0.00 179.45 177.78 1n04 h ALA 270 N 1.35 1.26 0.12 5.00 0.00 -0.35 -2.91 119.26 123.73 1n04 h ALA 270 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1n04 h ALA 270 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1n04 h ALA 270 CO 0.03 0.11 -0.06 1.96 0.00 0.00 0.00 179.25 181.30 1n04 h GLN 271 N 0.00 -0.16 -0.55 0.00 4.20 -0.28 -2.97 115.11 115.35 1n04 h GLN 271 Ca -0.00 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.83 1n04 h GLN 271 Cb 0.29 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.00 1n04 h GLN 271 CO 0.01 -0.10 -0.11 0.66 -0.67 0.00 0.00 178.83 178.62 1n04 h SER 272 N -0.48 -0.45 0.51 1.46 4.64 -1.59 2.35 113.55 119.98 1n04 h SER 272 Ca -0.02 0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 1n04 h SER 272 Cb 0.12 0.32 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1n04 h SER 272 CO 0.03 -0.16 -0.18 0.44 -0.87 0.00 0.00 176.83 176.09 1n04 h ASP 273 N 0.02 0.00 0.00 4.97 3.32 -1.67 -3.27 116.42 119.79 1n04 h ASP 273 Ca 0.27 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1n04 h ASP 273 Cb 0.42 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.80 1n04 h ASP 273 CO -0.55 0.18 -0.70 0.49 -1.72 0.00 0.00 179.24 176.94 1n04 n PHE 274 N -3.63 0.00 0.00 4.55 3.72 -0.81 -4.67 117.46 116.62 1n04 n PHE 274 Ca -0.01 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 1n04 n PHE 274 Cb 0.31 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1n04 n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n04 n GLY 275 N 0.03 -2.13 0.13 1.37 0.00 0.79 -1.94 105.19 103.44 1n04 n GLY 275 Ca 0.05 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 1n04 n GLY 275 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n04 h VAL 276 N -0.43 1.41 -0.00 1.61 2.07 -1.82 -3.10 116.25 115.99 1n04 h VAL 276 Ca 0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1n04 h VAL 276 Cb 0.00 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1n04 h VAL 276 CO 0.00 0.48 0.00 0.47 0.02 0.00 0.00 177.57 178.54 1n04 n ASP 277 N -4.45 0.04 -4.35 0.57 8.00 -1.26 -4.92 116.55 110.19 1n04 n ASP 277 Ca -0.08 -1.42 -0.33 0.00 0.71 0.00 0.00 54.79 53.67 1n04 n ASP 277 Cb 0.47 -0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.71 1n04 n ASP 277 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1n04 n THR 278 N -0.76 0.00 -0.00 -3.53 5.66 -1.17 -4.96 114.28 109.51 1n04 n THR 278 Ca 0.14 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1n04 n THR 278 Cb 0.07 -0.59 -0.01 0.00 -1.55 0.00 0.00 70.33 68.25 1n04 n THR 278 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1n04 n LYS 279 N -1.65 1.77 -1.54 1.09 5.02 -1.26 -4.99 118.16 116.60 1n04 n LYS 279 Ca 0.04 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.95 1n04 n LYS 279 Cb 0.57 -1.04 0.06 0.00 -0.02 0.00 0.00 35.03 34.59 1n04 n LYS 279 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1n04 n SER 280 N -1.80 0.27 0.07 4.39 2.88 -1.26 -4.80 113.62 113.37 1n04 n SER 280 Ca -0.01 0.75 0.07 0.00 -1.33 0.00 0.00 58.87 58.35 1n04 n SER 280 Cb 0.28 -1.34 0.34 0.00 -0.75 0.00 0.00 64.21 62.74 1n04 n SER 280 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1n04 n ASP 281 N -0.69 0.28 -4.81 -3.46 9.92 -1.26 -4.60 116.55 111.94 1n04 n ASP 281 Ca 0.13 0.59 -0.37 0.00 -0.53 0.00 0.00 54.79 54.62 1n04 n ASP 281 Cb 0.48 -0.65 -0.07 0.00 -0.64 0.00 0.00 41.12 40.25 1n04 n ASP 281 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1n04 s PHE 282 N -3.19 3.54 -0.04 1.24 5.36 -1.26 -5.10 117.98 118.54 1n04 s PHE 282 Ca 0.03 0.55 0.06 0.00 -0.96 0.00 0.00 56.93 56.62 1n04 s PHE 282 Cb 0.07 -2.12 -0.01 0.00 -0.34 0.00 0.00 43.02 40.62 1n04 s PHE 282 CO 0.22 0.52 -0.24 -1.01 -1.46 0.00 0.00 175.22 173.26 1n04 s HIS 283 N -0.41 2.22 -0.02 10.12 3.76 -1.26 -4.80 115.29 124.90 1n04 s HIS 283 Ca 0.15 -0.55 -0.14 0.00 -0.15 0.00 0.00 55.06 54.36 1n04 s HIS 283 Cb -0.13 -1.45 -0.33 0.00 1.11 0.00 0.00 32.58 31.79 1n04 s HIS 283 CO 0.04 -0.13 0.82 1.25 -0.85 0.00 0.00 174.74 175.87 1n04 h LEU 284 N 5.85 0.70 -8.60 0.89 5.85 -1.65 -3.44 115.31 114.91 1n04 h LEU 284 Ca -0.36 -0.93 -0.65 0.00 0.84 0.00 0.00 57.88 56.78 1n04 h LEU 284 Cb 1.15 -0.23 -0.24 0.00 0.37 0.00 0.00 40.66 41.72 1n04 h LEU 284 CO 0.47 1.72 -0.66 -0.36 -0.34 0.00 0.00 178.44 179.27 1n04 s PHE 285 N -2.57 3.04 0.00 1.25 0.08 -1.26 -4.57 117.98 113.95 1n04 s PHE 285 Ca -0.13 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.36 1n04 s PHE 285 Cb 0.04 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 1n04 s PHE 285 CO 0.89 -0.37 0.00 0.41 -0.10 0.00 0.00 175.22 176.05 1n04 n GLY 286 N 4.68 2.05 3.58 4.36 0.00 -1.26 -4.70 105.19 113.90 1n04 n GLY 286 Ca -0.17 0.46 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 1n04 n GLY 286 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n04 s PRO 287 N 0.00 -0.18 0.00 1.61 0.04 -1.26 -4.67 135.00 130.53 1n04 s PRO 287 Ca 0.00 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1n04 s PRO 287 Cb 0.00 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1n04 s PRO 287 CO 0.00 -3.21 0.00 -0.35 0.04 0.00 0.00 177.00 173.48 1n04 n PRO 288 N -4.54 1.52 0.00 0.56 -0.04 -1.25 -4.95 135.00 126.30 1n04 n PRO 288 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1n04 n PRO 288 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1n04 n PRO 288 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n04 n GLY 289 N 1.95 -0.46 3.51 0.55 0.00 -1.26 -4.97 105.19 104.50 1n04 n GLY 289 Ca 0.00 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 1n04 n GLY 289 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n04 n LYS 290 N -0.47 0.57 0.00 1.61 5.02 -1.23 -4.50 118.16 119.15 1n04 n LYS 290 Ca 0.00 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1n04 n LYS 290 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1n04 n LYS 290 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1n04 n LYS 291 N -0.43 -3.76 -2.23 1.97 4.81 -1.26 -5.01 118.16 112.25 1n04 n LYS 291 Ca 0.12 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.14 1n04 n LYS 291 Cb 0.48 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.50 1n04 n LYS 291 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1n04 s ASP 292 N 0.00 6.85 0.39 3.14 -1.08 -1.26 -4.88 116.67 119.83 1n04 s ASP 292 Ca 0.00 2.09 0.16 0.00 -0.52 0.00 0.00 52.55 54.28 1n04 s ASP 292 Cb 0.00 -2.56 1.03 0.00 -1.46 0.00 0.00 42.92 39.94 1n04 s ASP 292 CO 0.00 -0.73 1.80 -0.65 0.52 0.00 0.00 175.17 176.11 1n04 h PRO 293 N 7.90 0.45 0.00 4.34 0.11 -1.93 0.27 132.00 143.14 1n04 h PRO 293 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1n04 h PRO 293 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1n04 h PRO 293 CO 0.91 0.30 0.00 0.28 -0.21 0.00 0.00 178.00 179.27 1n04 n VAL 294 N -4.61 1.67 0.10 3.15 0.31 -1.26 -1.76 118.33 115.92 1n04 n VAL 294 Ca 0.23 0.42 0.02 0.00 -0.01 0.00 0.00 64.34 65.00 1n04 n VAL 294 Cb 0.77 -1.37 0.03 0.00 -0.91 0.00 0.00 33.84 32.37 1n04 n VAL 294 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1n04 n LEU 295 N -1.47 1.74 -4.85 7.52 4.77 0.95 -4.90 117.00 120.76 1n04 n LEU 295 Ca 0.01 -1.36 -0.38 0.00 -0.03 0.00 0.00 56.01 54.25 1n04 n LEU 295 Cb 0.03 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1n04 n LEU 295 CO 0.03 0.40 -0.01 -0.54 -1.33 0.00 0.00 177.39 175.94 1n04 s LYS 296 N -0.60 3.72 -0.66 3.23 1.02 -0.72 -4.45 119.74 121.27 1n04 s LYS 296 Ca 0.07 0.19 -0.01 0.00 0.02 0.00 0.00 55.97 56.23 1n04 s LYS 296 Cb 0.04 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1n04 s LYS 296 CO 0.06 0.73 0.56 -0.25 -0.92 0.00 0.00 175.35 175.52 1n04 n ASP 297 N 1.88 -2.90 -4.63 2.83 8.00 -1.26 -4.96 116.55 115.50 1n04 n ASP 297 Ca -0.16 -0.37 -0.38 0.00 0.71 0.00 0.00 54.79 54.58 1n04 n ASP 297 Cb 0.53 -3.16 -0.09 0.00 -0.02 0.00 0.00 41.12 38.38 1n04 n ASP 297 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n04 s LEU 298 N -4.45 4.08 0.00 0.64 1.43 -1.26 -4.54 118.68 114.58 1n04 s LEU 298 Ca 0.09 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1n04 s LEU 298 Cb -0.01 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1n04 s LEU 298 CO 0.42 -0.11 0.00 0.18 0.23 0.00 0.00 176.35 177.07 1n04 n LEU 299 N 4.91 0.00 -4.01 1.79 7.99 -1.26 -4.64 117.00 121.78 1n04 n LEU 299 Ca -0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.74 1n04 n LEU 299 Cb 0.51 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.68 1n04 n LEU 299 CO 0.38 0.00 -0.41 -0.36 -1.51 0.00 0.00 177.39 175.48 1n04 s PHE 300 N 0.00 0.65 0.42 -1.77 0.08 -1.26 -4.47 117.98 111.63 1n04 s PHE 300 Ca 0.00 -0.22 -0.26 0.00 0.12 0.00 0.00 56.93 56.57 1n04 s PHE 300 Cb 0.00 -0.41 -0.09 0.00 -0.57 0.00 0.00 43.02 41.95 1n04 s PHE 300 CO 0.00 -0.02 1.41 0.15 -0.10 0.00 0.00 175.22 176.66 1n04 s LYS 301 N -0.55 3.88 0.28 0.44 1.02 -1.26 -4.36 119.74 119.19 1n04 s LYS 301 Ca -0.00 2.40 0.22 0.00 0.02 0.00 0.00 55.97 58.61 1n04 s LYS 301 Cb -0.05 -2.77 1.06 0.00 -0.52 0.00 0.00 37.83 35.55 1n04 s LYS 301 CO 0.00 -0.66 1.67 -0.25 -0.92 0.00 0.00 175.35 175.19 1n04 n ASP 302 N 0.08 0.59 -0.05 2.83 8.00 -1.26 -1.86 116.55 124.88 1n04 n ASP 302 Ca 0.03 0.71 0.14 0.00 0.71 0.00 0.00 54.79 56.38 1n04 n ASP 302 Cb 0.41 -0.81 0.54 0.00 -0.02 0.00 0.00 41.12 41.24 1n04 n ASP 302 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1n04 n SER 303 N -2.23 0.31 -4.79 -2.24 3.41 -1.26 -3.95 113.62 102.87 1n04 n SER 303 Ca 0.00 -0.16 -0.33 0.00 -0.26 0.00 0.00 58.87 58.12 1n04 n SER 303 Cb 0.12 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1n04 n SER 303 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n04 s ALA 304 N -2.75 2.72 0.00 7.33 0.00 -0.78 -4.38 121.76 123.90 1n04 s ALA 304 Ca 0.21 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1n04 s ALA 304 Cb 0.19 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1n04 s ALA 304 CO 0.54 -0.76 0.00 0.44 0.00 0.00 0.00 175.76 175.98 1n04 n ILE 305 N -1.75 0.00 -3.82 0.00 -5.35 0.11 -4.86 119.36 103.69 1n04 n ILE 305 Ca 0.10 -0.23 -0.04 0.00 -0.27 0.00 0.00 62.75 62.31 1n04 n ILE 305 Cb 0.52 0.86 0.02 0.00 -1.74 0.00 0.00 39.64 39.30 1n04 n ILE 305 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1n04 n MET 306 N -0.64 0.67 -4.19 6.28 2.81 -1.24 -4.49 117.12 116.33 1n04 n MET 306 Ca 0.00 -1.46 -0.23 0.00 -1.81 0.00 0.00 57.70 54.20 1n04 n MET 306 Cb 0.00 1.93 -0.17 0.00 -0.71 0.00 0.00 33.22 34.28 1n04 n MET 306 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1n04 s LEU 307 N 0.00 1.31 -0.18 4.03 1.43 -1.26 -1.37 118.68 122.64 1n04 s LEU 307 Ca 0.19 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1n04 s LEU 307 Cb -0.03 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 1n04 s LEU 307 CO 0.06 -0.06 0.04 -0.75 0.23 0.00 0.00 176.35 175.88 1n04 s LYS 308 N 1.15 3.91 0.35 1.70 2.20 0.13 -4.87 119.74 124.32 1n04 s LYS 308 Ca -0.06 -0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 54.89 1n04 s LYS 308 Cb -0.14 -3.16 -0.10 0.00 -1.51 0.00 0.00 37.83 32.91 1n04 s LYS 308 CO -0.01 0.26 1.36 0.50 -0.36 0.00 0.00 175.35 177.09 1n04 s ARG 309 N 0.40 4.25 -0.23 4.03 6.06 -1.26 -0.17 118.95 132.03 1n04 s ARG 309 Ca 0.02 2.31 -0.10 0.00 -2.50 0.00 0.00 55.73 55.46 1n04 s ARG 309 Cb -0.13 -3.01 -0.05 0.00 0.06 0.00 0.00 34.95 31.82 1n04 s ARG 309 CO 0.01 -0.31 0.14 0.08 -2.50 0.00 0.00 175.30 172.72 1n04 s VAL 310 N -1.15 5.24 0.23 7.11 1.01 0.32 -4.84 120.40 128.33 1n04 s VAL 310 Ca 0.51 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 1n04 s VAL 310 Cb -0.41 -3.43 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 1n04 s VAL 310 CO 0.55 0.37 0.78 -2.65 0.00 0.00 0.00 175.10 174.15 1n04 n PRO 311 N 4.18 0.63 0.27 2.72 -0.02 -1.26 -4.82 135.00 136.70 1n04 n PRO 311 Ca -0.15 0.22 0.18 0.00 -2.02 0.00 0.00 63.50 61.73 1n04 n PRO 311 Cb 0.52 -1.42 0.93 0.00 -0.02 0.00 0.00 33.50 33.51 1n04 n PRO 311 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1n04 h SER 312 N 1.61 0.00 1.13 2.55 0.02 -1.96 -1.81 113.55 115.08 1n04 h SER 312 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1n04 h SER 312 Cb 1.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1n04 h SER 312 CO 0.59 0.00 0.00 0.25 -1.14 0.00 0.00 176.83 176.53 1n04 h LEU 313 N 0.00 0.00 -9.62 5.07 5.85 -1.90 -3.45 115.31 111.26 1n04 h LEU 313 Ca 0.04 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.23 1n04 h LEU 313 Cb 0.30 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.37 1n04 h LEU 313 CO -0.00 0.00 0.75 -0.04 -0.34 0.00 0.00 178.44 178.81 1n04 s MET 314 N -3.38 4.30 0.15 1.25 -1.94 -0.68 -5.05 119.30 113.95 1n04 s MET 314 Ca 0.05 2.17 0.08 0.00 -1.71 0.00 0.00 55.69 56.28 1n04 s MET 314 Cb 0.09 -3.19 -0.04 0.00 2.01 0.00 0.00 34.83 33.70 1n04 s MET 314 CO 0.52 -0.43 -0.17 0.16 -0.01 0.00 0.00 175.02 175.09 1n04 s ASP 315 N 0.81 2.45 0.23 3.03 3.84 -1.26 -4.64 116.67 121.14 1n04 s ASP 315 Ca 0.63 -0.85 -0.12 0.00 -0.00 0.00 0.00 52.55 52.21 1n04 s ASP 315 Cb -0.39 -0.13 0.30 0.00 -1.38 0.00 0.00 42.92 41.33 1n04 s ASP 315 CO 0.34 -0.08 1.60 0.77 -0.00 0.00 0.00 175.17 177.81 1n04 h SER 316 N 3.30 -0.76 -0.73 2.11 4.64 -1.91 0.16 113.55 120.37 1n04 h SER 316 Ca -0.41 0.23 0.16 0.00 -0.47 0.00 0.00 61.79 61.30 1n04 h SER 316 Cb 1.20 0.49 -0.04 0.00 -0.31 0.00 0.00 62.40 63.74 1n04 h SER 316 CO 0.51 -0.26 0.49 -0.61 -0.87 0.00 0.00 176.83 176.10 1n04 h GLN 317 N -0.01 0.30 -0.08 4.77 4.15 -1.95 0.18 115.11 122.47 1n04 h GLN 317 Ca 0.36 -0.02 -0.24 0.00 0.77 0.00 0.00 58.65 59.52 1n04 h GLN 317 Cb 0.56 -0.07 0.02 0.00 0.21 0.00 0.00 27.48 28.20 1n04 h GLN 317 CO -0.79 0.20 -0.88 1.25 -1.93 0.00 0.00 178.83 176.68 1n04 h LEU 318 N 0.31 0.91 0.14 -2.39 5.85 -1.40 -3.25 115.31 115.49 1n04 h LEU 318 Ca 0.36 -0.68 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1n04 h LEU 318 Cb 0.95 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1n04 h LEU 318 CO -0.09 1.46 -0.22 0.22 -0.34 0.00 0.00 178.44 179.46 1n04 h TYR 319 N 0.44 -0.59 -0.02 1.25 3.20 0.46 -3.13 116.97 118.57 1n04 h TYR 319 Ca -0.09 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.70 1n04 h TYR 319 Cb 1.52 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 40.02 1n04 h TYR 319 CO 0.10 -0.32 -0.41 -0.07 -1.64 0.00 0.00 178.16 175.82 1n04 h LEU 320 N -0.43 0.05 0.00 2.82 3.38 -1.40 -3.46 115.31 116.27 1n04 h LEU 320 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n04 h LEU 320 Cb 0.44 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1n04 h LEU 320 CO -0.10 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1n04 n GLY 321 N -0.32 1.82 0.33 0.83 0.00 -1.18 -4.49 105.19 102.18 1n04 n GLY 321 Ca -0.02 -1.66 0.03 0.00 0.00 0.00 0.00 46.02 44.37 1n04 n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1n04 h PHE 322 N 0.00 0.97 0.54 1.61 3.57 -1.84 -1.75 116.94 120.04 1n04 h PHE 322 Ca 0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1n04 h PHE 322 Cb 0.00 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 38.44 1n04 h PHE 322 CO 0.00 0.43 -0.26 1.49 -2.23 0.00 0.00 178.31 177.74 1n04 h GLU 323 N 0.90 -0.69 -0.53 1.11 4.57 -1.96 -1.75 114.58 116.22 1n04 h GLU 323 Ca 0.42 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 1n04 h GLU 323 Cb 0.33 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 1n04 h GLU 323 CO -0.23 -0.39 0.35 -0.92 -1.18 0.00 0.00 179.01 176.64 1n04 h TYR 324 N -0.94 0.67 -0.39 0.92 3.20 -1.77 -1.37 116.97 117.29 1n04 h TYR 324 Ca -0.07 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.83 1n04 h TYR 324 Cb 0.62 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1n04 h TYR 324 CO -0.00 0.43 0.26 -0.92 -1.64 0.00 0.00 178.16 176.29 1n04 h TYR 325 N 0.72 0.42 0.00 -3.82 5.03 -1.35 -0.83 116.97 117.13 1n04 h TYR 325 Ca 0.19 0.01 -0.16 0.00 2.58 0.00 0.00 58.73 61.36 1n04 h TYR 325 Cb -0.08 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.04 1n04 h TYR 325 CO -0.04 0.25 -0.74 0.77 -1.32 0.00 0.00 178.16 177.08 1n04 h SER 326 N 0.44 0.00 0.11 -2.11 0.02 -0.64 -2.93 113.55 108.45 1n04 h SER 326 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1n04 h SER 326 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1n04 h SER 326 CO -0.04 0.74 -0.05 0.00 -1.14 0.00 0.00 176.83 176.34 1n04 h ALA 327 N 1.26 -0.15 -0.57 3.77 0.00 -0.14 -0.11 119.26 123.32 1n04 h ALA 327 Ca -0.01 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.83 1n04 h ALA 327 Cb 1.49 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1n04 h ALA 327 CO 0.10 -0.38 0.40 0.82 0.00 0.00 0.00 179.25 180.18 1n04 h ILE 328 N -0.55 0.81 0.49 0.00 2.04 -1.25 -1.78 117.51 117.26 1n04 h ILE 328 Ca -0.02 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1n04 h ILE 328 Cb 0.44 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1n04 h ILE 328 CO 0.02 0.04 -0.24 1.56 0.00 0.00 0.00 178.15 179.54 1n04 h GLN 329 N 0.21 -0.64 -0.50 2.37 1.08 -1.30 -3.30 115.11 113.05 1n04 h GLN 329 Ca 0.27 0.04 0.15 0.00 -1.45 0.00 0.00 58.65 57.67 1n04 h GLN 329 Cb 0.79 0.14 -0.09 0.00 -0.05 0.00 0.00 27.48 28.27 1n04 h GLN 329 CO -0.05 -0.38 0.06 0.43 -0.95 0.00 0.00 178.83 177.94 1n04 n SER 330 N -5.22 -0.01 -0.38 1.46 7.64 -0.08 0.16 113.62 117.19 1n04 n SER 330 Ca -0.09 0.84 0.08 0.00 1.01 0.00 0.00 58.87 60.71 1n04 n SER 330 Cb 0.28 -0.33 0.31 0.00 -1.01 0.00 0.00 64.21 63.46 1n04 n SER 330 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1n04 n MET 331 N -4.48 1.49 -0.02 1.43 2.81 -1.17 -3.54 117.12 113.64 1n04 n MET 331 Ca 0.13 -0.75 0.01 0.00 -1.81 0.00 0.00 57.70 55.28 1n04 n MET 331 Cb 0.43 -1.29 -0.07 0.00 -0.71 0.00 0.00 33.22 31.59 1n04 n MET 331 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1n04 n ARG 332 N 0.02 1.34 -4.33 0.03 1.74 0.42 -4.87 116.66 111.01 1n04 n ARG 332 Ca 0.12 -0.05 -0.21 0.00 -0.77 0.00 0.00 57.85 56.95 1n04 n ARG 332 Cb 0.22 -1.21 -0.11 0.00 -1.02 0.00 0.00 32.46 30.34 1n04 n ARG 332 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1n04 s LYS 333 N -2.42 1.27 0.81 5.56 -2.85 -1.00 -4.89 119.74 116.21 1n04 s LYS 333 Ca -0.04 -1.44 -0.12 0.00 -1.00 0.00 0.00 55.97 53.38 1n04 s LYS 333 Cb 0.04 -1.25 0.08 0.00 -2.06 0.00 0.00 37.83 34.64 1n04 s LYS 333 CO 0.35 0.24 1.12 0.34 0.10 0.00 0.00 175.35 177.50 1n04 s ASP 334 N -2.81 4.44 0.00 0.03 2.15 -1.26 -4.37 116.67 114.84 1n04 s ASP 334 Ca 0.17 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.25 1n04 s ASP 334 Cb -0.04 -1.77 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 1n04 s ASP 334 CO 0.06 -1.98 0.00 0.00 -0.17 0.00 0.00 175.17 173.09 1n04 n GLN 335 N -3.41 0.00 0.00 4.34 10.64 -1.26 -4.76 117.38 122.93 1n04 n GLN 335 Ca 0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 1n04 n GLN 335 Cb 0.58 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.96 1n04 n GLN 335 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1n04 n LEU 336 N 0.00 0.00 0.00 2.61 -0.00 -1.26 -2.80 117.00 115.55 1n04 n LEU 336 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1n04 n LEU 336 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1n04 n LEU 336 CO 0.00 0.00 0.17 1.07 -0.00 0.00 0.00 177.39 178.63 1n04 n THR 337 N 0.00 0.00 0.00 1.47 5.66 -1.26 -4.35 114.28 115.79 1n04 n THR 337 Ca 0.00 0.67 0.00 0.00 -3.05 0.00 0.00 64.05 61.67 1n04 n THR 337 Cb 0.00 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 67.77 1n04 n THR 337 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1n04 n PRO 338 N -0.82 0.00 0.00 1.09 -0.02 -1.12 -4.36 135.00 129.76 1n04 n PRO 338 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1n04 n PRO 338 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1n04 n PRO 338 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1n04 n SER 339 N 0.00 0.00 -4.57 2.55 3.41 -1.26 -4.65 113.62 109.10 1n04 n SER 339 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1n04 n SER 339 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1n04 n SER 339 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1n04 n PRO 340 N 0.00 1.18 0.00 4.33 -0.02 -1.26 -2.76 135.00 136.47 1n04 n PRO 340 Ca 0.00 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1n04 n PRO 340 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1n04 n PRO 340 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n04 n ARG 341 N 0.48 0.00 -0.95 -0.52 1.74 -1.26 -4.96 116.66 111.18 1n04 n ARG 341 Ca 0.10 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.87 1n04 n ARG 341 Cb 0.36 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.77 1n04 n ARG 341 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1n04 n GLU 342 N 0.00 1.94 0.00 5.56 0.28 -1.11 -3.39 120.64 123.92 1n04 n GLU 342 Ca 0.00 -1.68 0.00 0.00 -0.16 0.00 0.00 57.16 55.32 1n04 n GLU 342 Cb 0.00 -2.68 0.00 0.00 1.43 0.00 0.00 31.44 30.19 1n04 n GLU 342 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1n04 n ASN 343 N 5.52 0.00 -3.63 -1.84 4.13 -1.26 -5.02 115.26 113.16 1n04 n ASN 343 Ca 0.48 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.68 1n04 n ASN 343 Cb 0.25 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.42 1n04 n ASN 343 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1n04 s ARG 344 N 0.00 0.61 0.15 3.52 1.70 -1.22 -4.85 118.95 118.87 1n04 s ARG 344 Ca 0.00 1.11 -0.30 0.00 -0.47 0.00 0.00 55.73 56.08 1n04 s ARG 344 Cb 0.00 0.21 -0.07 0.00 -0.57 0.00 0.00 34.95 34.52 1n04 s ARG 344 CO 0.00 -0.14 1.01 0.42 -1.08 0.00 0.00 175.30 175.52 1n04 s ILE 345 N 1.72 4.21 -0.97 4.99 1.01 -0.38 -4.86 121.20 126.93 1n04 s ILE 345 Ca -0.09 1.90 -0.12 0.00 0.00 0.00 0.00 60.65 62.33 1n04 s ILE 345 Cb -0.05 -4.21 0.24 0.00 0.01 0.00 0.00 42.46 38.45 1n04 s ILE 345 CO -0.19 0.32 0.96 -1.58 0.00 0.00 0.00 174.94 174.45 1n04 s GLN 346 N -0.25 3.89 0.32 2.79 2.00 -1.26 -1.66 119.66 125.49 1n04 s GLN 346 Ca 0.47 -2.78 -0.29 0.00 -2.00 0.00 0.00 55.36 50.77 1n04 s GLN 346 Cb -0.26 -4.53 -0.10 0.00 0.80 0.00 0.00 33.01 28.93 1n04 s GLN 346 CO 0.32 -1.30 1.20 -0.46 -0.50 0.00 0.00 175.29 174.54 1n04 s TRP 347 N -0.32 3.28 -0.34 1.67 -0.11 -0.54 -1.37 118.94 121.21 1n04 s TRP 347 Ca 0.25 1.56 -0.15 0.00 1.22 0.00 0.00 56.10 58.98 1n04 s TRP 347 Cb -0.10 -3.47 -0.01 0.00 -1.50 0.00 0.00 33.47 28.39 1n04 s TRP 347 CO -0.08 -1.22 0.35 0.00 -4.62 0.00 0.00 176.95 171.38 1n04 s ALA 349 N 1.98 3.81 -0.23 0.00 0.00 -0.36 -4.81 121.76 122.15 1n04 s ALA 349 Ca 0.11 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 1n04 s ALA 349 Cb -0.17 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.08 1n04 s ALA 349 CO 0.11 0.63 -0.08 0.08 0.00 0.00 0.00 175.76 176.50 1n04 s VAL 350 N -1.05 2.81 0.00 0.00 1.01 -1.26 -0.31 120.40 121.60 1n04 s VAL 350 Ca 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1n04 s VAL 350 Cb -0.12 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1n04 s VAL 350 CO 0.06 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1n04 n GLY 351 N 4.68 -0.23 0.04 4.51 0.00 -0.35 -4.13 105.19 109.72 1n04 n GLY 351 Ca -0.18 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 1n04 n GLY 351 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n04 h LYS 352 N 0.00 -0.00 -0.46 1.61 1.57 -1.96 -2.30 116.57 115.03 1n04 h LYS 352 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1n04 h LYS 352 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1n04 h LYS 352 CO 0.00 0.13 0.31 -0.44 -0.57 0.00 0.00 179.45 178.88 1n04 h ASP 353 N -0.13 0.34 0.19 0.86 3.32 -1.97 -1.87 116.42 117.16 1n04 h ASP 353 Ca -0.00 -0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1n04 h ASP 353 Cb 0.13 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.63 1n04 h ASP 353 CO 0.00 0.23 -1.27 -0.33 -1.72 0.00 0.00 179.24 176.14 1n04 h GLU 354 N 0.39 0.40 -0.57 3.56 5.08 -1.69 -2.93 114.58 118.82 1n04 h GLU 354 Ca 0.20 -0.68 0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1n04 h GLU 354 Cb 0.30 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1n04 h GLU 354 CO -0.05 1.33 0.33 -0.22 -1.00 0.00 0.00 179.01 179.40 1n04 h LYS 355 N -0.11 0.63 -0.88 2.33 1.63 -1.18 0.45 116.57 119.44 1n04 h LYS 355 Ca -0.24 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.58 1n04 h LYS 355 Cb 1.92 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 33.35 1n04 h LYS 355 CO 0.19 0.42 0.56 1.03 -3.45 0.00 0.00 179.45 178.19 1n04 h SER 356 N 0.65 0.90 0.06 4.20 0.87 -1.43 1.54 113.55 120.34 1n04 h SER 356 Ca 0.24 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.64 1n04 h SER 356 Cb 0.07 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1n04 h SER 356 CO -0.12 0.60 -0.57 0.50 -0.53 0.00 0.00 176.83 176.71 1n04 h LYS 357 N 1.05 0.53 -0.35 2.24 3.64 -1.13 -2.72 116.57 119.82 1n04 h LYS 357 Ca 0.37 -0.34 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1n04 h LYS 357 Cb 0.10 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1n04 h LYS 357 CO -0.15 0.95 -0.31 0.00 -2.27 0.00 0.00 179.45 177.67 1n04 h ASP 359 N 0.62 -0.52 -0.82 0.00 5.19 0.22 0.35 116.42 121.46 1n04 h ASP 359 Ca 0.06 0.14 0.10 0.00 -0.62 0.00 0.00 57.03 56.70 1n04 h ASP 359 Cb 0.89 0.30 -0.07 0.00 0.18 0.00 0.00 39.33 40.63 1n04 h ASP 359 CO 0.08 -0.18 0.46 0.03 -3.12 0.00 0.00 179.24 176.51 1n04 h ARG 360 N -0.07 0.75 -0.26 3.56 3.08 -1.37 -0.29 114.38 119.79 1n04 h ARG 360 Ca 0.19 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 1n04 h ARG 360 Cb 0.36 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1n04 h ARG 360 CO -0.44 0.50 -0.28 2.35 -1.07 0.00 0.00 179.97 181.03 1n04 h TRP 361 N 0.77 0.57 -0.25 3.04 7.01 -0.51 -1.05 115.95 125.54 1n04 h TRP 361 Ca 0.40 -0.13 -0.00 0.00 2.11 0.00 0.00 58.89 61.26 1n04 h TRP 361 Cb 0.37 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 1n04 h TRP 361 CO -0.06 0.74 0.14 1.03 -2.79 0.00 0.00 178.44 177.49 1n04 h SER 362 N 0.44 0.31 -0.13 2.65 0.87 0.14 -0.40 113.55 117.43 1n04 h SER 362 Ca 0.06 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1n04 h SER 362 Cb 0.72 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1n04 h SER 362 CO 0.05 0.30 -0.20 -0.37 -0.53 0.00 0.00 176.83 176.09 1n04 h VAL 363 N 0.30 1.37 -0.63 2.23 -1.51 -1.32 -2.60 116.25 114.08 1n04 h VAL 363 Ca 0.09 -1.43 0.07 0.00 -1.23 0.00 0.00 66.70 64.20 1n04 h VAL 363 Cb 0.06 1.98 -0.04 0.00 -2.13 0.00 0.00 31.29 31.16 1n04 h VAL 363 CO -0.01 0.42 0.42 1.62 -1.23 0.00 0.00 177.57 178.78 1n04 h VAL 364 N -0.03 0.99 -0.04 7.19 3.04 -1.14 1.00 116.25 127.26 1n04 h VAL 364 Ca 0.01 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1n04 h VAL 364 Cb 0.77 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 1n04 h VAL 364 CO 0.05 0.11 0.00 -1.54 -1.01 0.00 0.00 177.57 175.18 1n04 n SER 365 N -4.48 0.37 0.00 3.17 3.41 -0.16 -4.87 113.62 111.05 1n04 n SER 365 Ca 0.09 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1n04 n SER 365 Cb 0.25 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1n04 n SER 365 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1n04 n ASN 366 N -0.51 -1.94 0.00 4.04 4.13 0.35 -1.22 115.26 120.11 1n04 n ASN 366 Ca 0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1n04 n ASN 366 Cb 0.11 -2.13 0.00 0.00 -1.54 0.00 0.00 39.78 36.22 1n04 n ASN 366 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n04 n GLY 367 N -0.26 1.11 0.18 7.41 0.00 -1.00 -4.98 105.19 107.65 1n04 n GLY 367 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1n04 n GLY 367 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n04 h ASP 368 N 0.44 0.00 -3.43 1.61 3.32 -1.41 -3.39 116.42 113.56 1n04 h ASP 368 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1n04 h ASP 368 Cb 0.00 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.24 1n04 h ASP 368 CO 0.00 0.00 -0.57 -0.69 -1.72 0.00 0.00 179.24 176.26 1n04 s VAL 369 N -3.49 -0.04 0.15 -1.35 1.01 -1.26 -1.24 120.40 114.17 1n04 s VAL 369 Ca -0.02 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.22 1n04 s VAL 369 Cb 0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1n04 s VAL 369 CO 0.17 0.07 -0.21 -1.61 0.00 0.00 0.00 175.10 173.51 1n04 s GLU 370 N 1.13 1.32 0.25 2.72 2.02 -0.66 -4.11 118.70 121.36 1n04 s GLU 370 Ca -0.09 -1.38 0.09 0.00 0.02 0.00 0.00 54.97 53.62 1n04 s GLU 370 Cb -0.11 -1.55 -0.04 0.00 0.10 0.00 0.00 34.13 32.54 1n04 s GLU 370 CO -0.06 0.34 0.00 0.00 0.02 0.00 0.00 175.26 175.55 1n04 s THR 372 N -2.21 -0.10 0.27 0.00 2.01 -0.74 -4.94 115.64 109.93 1n04 s THR 372 Ca 0.31 -0.33 -0.28 0.00 0.31 0.00 0.00 61.69 61.69 1n04 s THR 372 Cb -0.07 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.65 1n04 s THR 372 CO 0.20 -0.41 0.94 0.54 -0.69 0.00 0.00 174.62 175.20 1n04 s VAL 373 N 2.14 4.13 0.15 3.82 0.11 -1.25 -1.22 120.40 128.28 1n04 s VAL 373 Ca 0.04 1.98 -0.01 0.00 -2.93 0.00 0.00 61.98 61.06 1n04 s VAL 373 Cb -0.16 -4.20 -0.04 0.00 -1.53 0.00 0.00 36.38 30.45 1n04 s VAL 373 CO -0.17 0.35 0.07 0.68 -3.33 0.00 0.00 175.10 172.70 1n04 s VAL 374 N -1.36 0.11 -0.25 2.04 -7.23 0.57 -4.94 120.40 109.35 1n04 s VAL 374 Ca 0.45 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 1n04 s VAL 374 Cb -0.23 -2.19 -0.16 0.00 0.56 0.00 0.00 36.38 34.37 1n04 s VAL 374 CO 0.28 -0.33 -0.16 0.47 -0.31 0.00 0.00 175.10 175.06 1n04 n ASP 375 N -0.16 1.96 -4.73 4.85 8.00 -1.26 -1.22 116.55 124.00 1n04 n ASP 375 Ca -0.03 0.23 -0.37 0.00 0.71 0.00 0.00 54.79 55.32 1n04 n ASP 375 Cb 0.64 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 1n04 n ASP 375 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1n04 s GLU 376 N -2.49 4.30 0.65 -1.24 0.41 -1.26 -4.51 118.70 114.55 1n04 s GLU 376 Ca -0.35 0.30 0.34 0.00 -0.41 0.00 0.00 54.97 54.85 1n04 s GLU 376 Cb 0.11 -3.43 1.85 0.00 -1.78 0.00 0.00 34.13 30.89 1n04 s GLU 376 CO 0.56 0.20 2.08 1.15 -0.49 0.00 0.00 175.26 178.77 1n04 h THR 377 N 4.68 0.13 0.00 3.63 2.02 -1.91 0.52 112.91 121.98 1n04 h THR 377 Ca -0.41 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 1n04 h THR 377 Cb 1.17 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1n04 h THR 377 CO 0.75 0.00 -0.37 0.07 0.37 0.00 0.00 175.52 176.34 1n04 h LYS 378 N 0.00 0.00 -0.76 6.66 2.10 -1.98 -3.08 116.57 119.51 1n04 h LYS 378 Ca 0.03 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.74 1n04 h LYS 378 Cb 0.47 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.76 1n04 h LYS 378 CO -0.00 0.37 0.50 -0.44 -2.00 0.00 0.00 179.45 177.88 1n04 h ASP 379 N 0.00 0.72 0.25 7.07 3.32 -0.34 -2.21 116.42 125.23 1n04 h ASP 379 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n04 h ASP 379 Cb 1.22 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 1n04 h ASP 379 CO 0.05 0.47 -0.42 0.00 -1.72 0.00 0.00 179.24 177.62 1n04 n ILE 381 N -4.88 -0.59 0.11 0.00 5.41 -0.85 0.38 119.36 118.96 1n04 n ILE 381 Ca -0.08 2.33 0.05 0.00 1.00 0.00 0.00 62.75 66.05 1n04 n ILE 381 Cb 0.35 -2.99 0.50 0.00 -0.71 0.00 0.00 39.64 36.79 1n04 n ILE 381 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1n04 h ILE 382 N 0.00 1.08 -0.13 1.39 2.04 -1.35 -0.44 117.51 120.09 1n04 h ILE 382 Ca 0.26 -0.20 -0.15 0.00 1.00 0.00 0.00 64.86 65.77 1n04 h ILE 382 Cb 0.50 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1n04 h ILE 382 CO -0.95 0.08 -0.56 0.11 0.00 0.00 0.00 178.15 176.84 1n04 h LYS 383 N 0.30 0.39 -0.14 2.37 1.79 0.94 -2.72 116.57 119.51 1n04 h LYS 383 Ca 0.08 -0.25 -0.23 0.00 -2.18 0.00 0.00 60.65 58.07 1n04 h LYS 383 Cb 0.02 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1n04 h LYS 383 CO -0.01 0.85 -0.81 0.82 -1.08 0.00 0.00 179.45 179.21 1n04 h ILE 384 N 0.30 1.28 -0.12 1.86 2.04 -0.27 0.15 117.51 122.75 1n04 h ILE 384 Ca 0.00 -2.01 0.04 0.00 1.00 0.00 0.00 64.86 63.89 1n04 h ILE 384 Cb 1.07 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 39.14 1n04 h ILE 384 CO 0.10 0.64 -0.11 0.24 0.00 0.00 0.00 178.15 179.01 1n04 h MET 385 N 0.52 -0.13 0.00 2.37 2.86 -1.06 -1.84 114.93 117.65 1n04 h MET 385 Ca -0.06 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1n04 h MET 385 Cb 1.44 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 1n04 h MET 385 CO 0.17 -0.09 -0.03 0.87 1.06 0.00 0.00 176.91 178.89 1n04 h LYS 386 N -0.14 0.00 0.00 1.72 1.57 -1.52 -3.43 116.57 114.77 1n04 h LYS 386 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1n04 h LYS 386 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1n04 h LYS 386 CO -0.20 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.12 1n04 n GLY 387 N -0.31 0.72 0.00 3.86 0.00 -0.69 -4.91 105.19 103.85 1n04 n GLY 387 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1n04 n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n04 n GLU 388 N -2.08 0.12 -3.77 1.61 1.02 -0.19 -4.76 120.64 112.59 1n04 n GLU 388 Ca 0.00 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 1n04 n GLU 388 Cb 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.83 1n04 n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n04 s ALA 389 N -2.86 -0.74 -0.19 0.62 0.00 -0.14 -4.92 121.76 113.53 1n04 s ALA 389 Ca 0.17 0.28 0.09 0.00 0.00 0.00 0.00 51.96 52.49 1n04 s ALA 389 Cb 0.17 0.08 -0.18 0.00 0.00 0.00 0.00 23.12 23.20 1n04 s ALA 389 CO 0.45 -0.26 -0.06 -0.25 0.00 0.00 0.00 175.76 175.65 1n04 n ASP 390 N 1.28 1.49 -3.52 0.00 10.43 -0.47 -3.85 116.55 121.91 1n04 n ASP 390 Ca -0.22 -0.06 -0.13 0.00 2.57 0.00 0.00 54.79 56.95 1n04 n ASP 390 Cb 0.56 0.33 -0.04 0.00 1.84 0.00 0.00 41.12 43.81 1n04 n ASP 390 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1n04 s ALA 391 N -2.43 -1.80 -0.16 2.24 0.00 -1.19 -4.51 121.76 113.92 1n04 s ALA 391 Ca -0.18 1.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.81 1n04 s ALA 391 Cb 0.06 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.24 1n04 s ALA 391 CO 0.61 -0.47 0.49 0.54 0.00 0.00 0.00 175.76 176.93 1n04 s VAL 392 N -1.88 0.01 -0.29 0.00 0.11 -1.24 -1.38 120.40 115.73 1n04 s VAL 392 Ca -0.04 -0.06 -0.20 0.00 -2.93 0.00 0.00 61.98 58.75 1n04 s VAL 392 Cb -0.00 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 1n04 s VAL 392 CO 0.01 -0.03 0.63 0.00 -3.33 0.00 0.00 175.10 172.38 1n04 s ALA 393 N -0.04 3.55 0.16 1.54 0.00 -1.26 -1.85 121.76 123.86 1n04 s ALA 393 Ca -0.02 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.40 1n04 s ALA 393 Cb -0.03 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1n04 s ALA 393 CO 0.02 -1.01 0.13 -0.51 0.00 0.00 0.00 175.76 174.39 1n04 s LEU 394 N 2.59 3.80 0.66 0.00 1.43 0.14 -4.87 118.68 122.44 1n04 s LEU 394 Ca 0.26 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 1n04 s LEU 394 Cb -0.15 -2.42 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 1n04 s LEU 394 CO 0.11 0.07 1.08 -0.62 0.23 0.00 0.00 176.35 177.22 1n04 s ASP 395 N -3.07 5.28 0.42 2.29 2.15 -1.26 -1.24 116.67 121.24 1n04 s ASP 395 Ca 0.31 1.83 0.23 0.00 0.43 0.00 0.00 52.55 55.35 1n04 s ASP 395 Cb -0.10 -2.53 1.24 0.00 -0.30 0.00 0.00 42.92 41.23 1n04 s ASP 395 CO 0.23 -1.51 1.72 1.23 -0.17 0.00 0.00 175.17 176.68 1n04 h GLY 396 N -0.19 1.17 1.79 2.66 0.00 -1.85 -0.92 103.07 105.73 1n04 h GLY 396 Ca -0.46 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 46.55 1n04 h GLY 396 CO 0.55 -0.21 -0.69 -1.33 0.00 0.00 0.00 176.54 174.86 1n04 h GLY 397 N 0.27 0.22 1.49 4.60 0.00 -1.91 -3.24 103.07 104.50 1n04 h GLY 397 Ca 0.67 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.55 1n04 h GLY 397 CO -0.32 0.28 -0.97 1.41 0.00 0.00 0.00 176.54 176.93 1n04 h LEU 398 N 0.14 0.00 -1.46 3.11 3.38 -1.40 -3.25 115.31 115.83 1n04 h LEU 398 Ca -0.02 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1n04 h LEU 398 Cb 1.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 1n04 h LEU 398 CO 0.10 0.54 0.49 0.58 0.09 0.00 0.00 178.44 180.25 1n04 h VAL 399 N 0.00 0.90 0.07 1.22 2.07 -1.36 -0.46 116.25 118.69 1n04 h VAL 399 Ca -0.08 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1n04 h VAL 399 Cb 1.49 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1n04 h VAL 399 CO 0.06 0.11 -0.17 0.22 0.02 0.00 0.00 177.57 177.80 1n04 h TYR 400 N 0.59 -0.45 -0.65 1.57 3.20 -1.63 0.28 116.97 119.88 1n04 h TYR 400 Ca 0.35 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.16 1n04 h TYR 400 Cb 0.56 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 1n04 h TYR 400 CO -0.00 -0.25 0.15 1.15 -1.64 0.00 0.00 178.16 177.56 1n04 h THR 401 N -0.32 1.26 -0.93 1.81 2.02 -1.42 -0.56 112.91 114.78 1n04 h THR 401 Ca 0.03 -0.96 0.06 0.00 0.77 0.00 0.00 66.41 66.32 1n04 h THR 401 Cb 0.35 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1n04 h THR 401 CO -0.11 0.36 0.60 0.00 0.37 0.00 0.00 175.52 176.74 1n04 h ALA 402 N 1.05 1.47 0.08 6.16 0.00 -0.79 0.14 119.26 127.38 1n04 h ALA 402 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n04 h ALA 402 Cb 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1n04 h ALA 402 CO 0.00 0.40 -0.04 0.78 0.00 0.00 0.00 179.25 180.39 1n04 h GLY 403 N 1.08 -0.11 0.69 0.00 0.00 0.40 0.38 103.07 105.51 1n04 h GLY 403 Ca 0.39 0.04 0.15 0.00 0.00 0.00 0.00 47.33 47.91 1n04 h GLY 403 CO -0.15 -0.04 0.50 -2.08 0.00 0.00 0.00 176.54 174.78 1n04 h VAL 404 N -0.30 0.80 -0.04 4.60 2.07 -0.55 0.18 116.25 123.01 1n04 h VAL 404 Ca -0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1n04 h VAL 404 Cb 0.26 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1n04 h VAL 404 CO 0.02 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1n04 n GLY 406 N 0.78 0.70 3.79 0.00 0.00 0.63 -4.98 105.19 106.11 1n04 n GLY 406 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1n04 n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n04 s LEU 407 N 0.00 4.51 0.04 0.99 1.43 0.07 -4.43 118.68 121.30 1n04 s LEU 407 Ca 0.00 1.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.46 1n04 s LEU 407 Cb 0.00 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1n04 s LEU 407 CO 0.00 0.20 -0.08 0.68 0.23 0.00 0.00 176.35 177.38 1n04 s VAL 408 N -0.81 3.52 -0.19 -1.59 -7.23 0.22 -3.67 120.40 110.65 1n04 s VAL 408 Ca 0.31 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 59.22 1n04 s VAL 408 Cb -0.20 -2.57 -0.00 0.00 0.56 0.00 0.00 36.38 34.17 1n04 s VAL 408 CO 0.20 0.29 1.12 -2.16 -0.31 0.00 0.00 175.10 174.24 1n04 s PRO 409 N -1.71 4.27 -0.07 4.82 0.04 -1.26 -0.38 135.00 140.70 1n04 s PRO 409 Ca 0.19 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.78 1n04 s PRO 409 Cb -0.11 -3.67 -0.11 0.00 0.04 0.00 0.00 34.50 30.65 1n04 s PRO 409 CO 0.10 -0.62 0.06 1.55 0.04 0.00 0.00 177.00 178.13 1n04 n VAL 410 N 5.24 0.45 -3.90 -0.36 3.14 -0.46 -4.78 118.33 117.65 1n04 n VAL 410 Ca 0.12 -0.32 -0.12 0.00 -2.96 0.00 0.00 64.34 61.07 1n04 n VAL 410 Cb 0.46 -0.60 -0.14 0.00 -1.06 0.00 0.00 33.84 32.51 1n04 n VAL 410 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1n04 s MET 411 N -2.26 0.07 0.05 1.45 -1.94 -1.23 -1.23 119.30 114.21 1n04 s MET 411 Ca -0.04 -0.11 0.04 0.00 -1.71 0.00 0.00 55.69 53.88 1n04 s MET 411 Cb 0.03 -0.01 -0.02 0.00 2.01 0.00 0.00 34.83 36.84 1n04 s MET 411 CO 0.33 -0.00 -0.13 0.00 -0.01 0.00 0.00 175.02 175.21 1n04 s ALA 412 N -0.24 1.07 0.38 3.03 0.00 -0.12 0.83 121.76 126.70 1n04 s ALA 412 Ca -0.02 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 50.85 1n04 s ALA 412 Cb -0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 23.12 22.88 1n04 s ALA 412 CO -0.00 0.17 0.94 -1.21 0.00 0.00 0.00 175.76 175.66 1n04 s GLU 413 N -1.35 4.38 0.01 0.00 2.02 -0.86 -0.20 118.70 122.69 1n04 s GLU 413 Ca -0.01 1.20 0.07 0.00 0.02 0.00 0.00 54.97 56.25 1n04 s GLU 413 Cb -0.09 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 1n04 s GLU 413 CO 0.01 0.12 -0.21 0.50 0.02 0.00 0.00 175.26 175.70 1n04 s ARG 414 N -2.67 2.12 -0.00 1.61 3.52 -0.78 -4.69 118.95 118.06 1n04 s ARG 414 Ca 0.56 -0.94 0.10 0.00 -0.13 0.00 0.00 55.73 55.32 1n04 s ARG 414 Cb -0.13 -2.15 -0.12 0.00 -1.56 0.00 0.00 34.95 30.99 1n04 s ARG 414 CO 0.18 0.56 0.37 0.66 -0.81 0.00 0.00 175.30 176.25 1n04 n TYR 415 N 1.95 0.00 0.24 5.12 4.01 -1.26 -0.65 117.16 126.58 1n04 n TYR 415 Ca -0.16 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.46 1n04 n TYR 415 Cb 0.52 -0.05 -0.06 0.00 -0.31 0.00 0.00 39.34 39.44 1n04 n TYR 415 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1n04 h ASP 416 N 0.00 -0.57 -3.17 7.72 5.19 -1.89 -3.44 116.42 120.26 1n04 h ASP 416 Ca 0.00 -0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.28 1n04 h ASP 416 Cb 0.28 0.15 -0.26 0.00 0.18 0.00 0.00 39.33 39.68 1n04 h ASP 416 CO 0.00 -0.16 -0.27 -0.62 -3.12 0.00 0.00 179.24 175.08 1n04 s ASP 417 N -4.79 -0.55 0.04 6.45 -1.08 -1.26 -5.00 116.67 110.47 1n04 s ASP 417 Ca -0.11 0.97 0.02 0.00 -0.52 0.00 0.00 52.55 52.90 1n04 s ASP 417 Cb 0.01 0.86 0.09 0.00 -1.46 0.00 0.00 42.92 42.43 1n04 s ASP 417 CO 0.36 -0.20 0.88 -1.84 0.52 0.00 0.00 175.17 174.89 1n04 n GLU 418 N 4.32 0.01 -2.77 4.34 -0.00 -1.26 -1.70 120.64 123.59 1n04 n GLU 418 Ca -0.22 0.35 -0.30 0.00 -0.00 0.00 0.00 57.16 56.99 1n04 n GLU 418 Cb 0.55 -1.73 -0.02 0.00 -0.00 0.00 0.00 31.44 30.24 1n04 n GLU 418 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1n04 n SER 419 N -1.41 5.08 -0.41 -1.84 2.88 -1.26 -4.68 113.62 111.98 1n04 n SER 419 Ca -0.00 -3.70 0.00 0.00 -1.33 0.00 0.00 58.87 53.84 1n04 n SER 419 Cb 0.20 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1n04 n SER 419 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n04 n GLN 420 N -0.28 0.00 0.00 -1.46 1.13 -0.69 -4.87 117.38 111.22 1n04 n GLN 420 Ca 0.36 -0.44 0.12 0.00 -1.94 0.00 0.00 57.00 55.10 1n04 n GLN 420 Cb 0.42 -0.24 0.24 0.00 0.11 0.00 0.00 30.24 30.76 1n04 n GLN 420 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n04 n SER 422 N -0.13 4.23 -4.74 0.00 7.64 -1.26 -4.48 113.62 114.88 1n04 n SER 422 Ca 0.12 -3.57 -0.23 0.00 1.01 0.00 0.00 58.87 56.21 1n04 n SER 422 Cb 0.41 -0.47 0.10 0.00 -1.01 0.00 0.00 64.21 63.25 1n04 n SER 422 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1n04 s LYS 423 N -3.48 1.76 0.00 1.43 1.02 -1.25 -5.10 119.74 114.12 1n04 s LYS 423 Ca 0.45 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 55.17 1n04 s LYS 423 Cb 0.41 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1n04 s LYS 423 CO -0.15 -1.36 0.00 2.41 -0.92 0.00 0.00 175.35 175.33 1n04 n THR 424 N -2.73 0.00 -0.01 2.17 -1.04 -1.26 -4.93 114.28 106.49 1n04 n THR 424 Ca 0.16 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.00 1n04 n THR 424 Cb 0.61 -0.24 -0.06 0.00 -1.82 0.00 0.00 70.33 68.81 1n04 n THR 424 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1n04 h ASP 425 N 0.00 0.89 -0.30 8.00 5.19 -2.03 -3.33 116.42 124.84 1n04 h ASP 425 Ca 0.00 -0.60 -0.61 0.00 -0.62 0.00 0.00 57.03 55.19 1n04 h ASP 425 Cb 0.00 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.22 1n04 h ASP 425 CO 0.00 1.40 2.27 -1.84 -3.12 0.00 0.00 179.24 177.95 1n04 n GLU 426 N -3.91 2.31 0.00 3.56 -0.00 -1.26 -4.63 120.64 116.71 1n04 n GLU 426 Ca -0.08 -2.53 -0.22 0.00 -0.00 0.00 0.00 57.16 54.34 1n04 n GLU 426 Cb 0.76 -3.33 -0.14 0.00 -0.00 0.00 0.00 31.44 28.74 1n04 n GLU 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n04 h ARG 427 N 7.65 0.25 -6.43 3.44 3.08 -1.94 -3.44 114.38 116.98 1n04 h ARG 427 Ca 0.43 -0.42 -0.61 0.00 0.07 0.00 0.00 59.98 59.45 1n04 h ARG 427 Cb 0.76 0.16 0.05 0.00 0.08 0.00 0.00 29.97 31.03 1n04 h ARG 427 CO 1.67 1.20 0.73 -2.30 -1.07 0.00 0.00 179.97 180.20 1n04 n PRO 428 N -3.75 1.88 -4.08 0.04 -0.02 -1.26 -4.99 135.00 122.81 1n04 n PRO 428 Ca -0.29 0.68 -0.27 0.00 -2.02 0.00 0.00 63.50 61.60 1n04 n PRO 428 Cb 0.96 -2.42 -0.17 0.00 -0.02 0.00 0.00 33.50 31.85 1n04 n PRO 428 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n04 s ALA 429 N 1.01 1.42 0.16 3.55 0.00 -1.26 -5.10 121.76 121.54 1n04 s ALA 429 Ca 0.81 -0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 1n04 s ALA 429 Cb -0.75 -0.87 0.05 0.00 0.00 0.00 0.00 23.12 21.55 1n04 s ALA 429 CO 0.41 -0.29 0.69 -1.13 0.00 0.00 0.00 175.76 175.44 1n04 n SER 430 N 4.66 -1.29 -3.53 0.00 3.41 -1.26 -3.95 113.62 111.66 1n04 n SER 430 Ca -0.16 -1.72 -0.12 0.00 -0.26 0.00 0.00 58.87 56.62 1n04 n SER 430 Cb 0.50 2.10 -0.04 0.00 -0.26 0.00 0.00 64.21 66.52 1n04 n SER 430 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1n04 s TYR 431 N -3.44 0.65 0.06 7.33 1.13 -0.86 -4.75 117.35 117.47 1n04 s TYR 431 Ca 0.15 -1.00 0.09 0.00 -1.41 0.00 0.00 57.07 54.91 1n04 s TYR 431 Cb -0.02 0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 40.95 1n04 s TYR 431 CO 0.05 -1.13 -0.26 -0.06 -2.51 0.00 0.00 175.55 171.64 1n04 s PHE 432 N -3.36 2.25 0.04 -3.49 0.40 -1.26 0.36 117.98 112.91 1n04 s PHE 432 Ca 0.25 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 56.04 1n04 s PHE 432 Cb -0.01 -1.32 -0.06 0.00 0.51 0.00 0.00 43.02 42.14 1n04 s PHE 432 CO 0.14 0.17 0.43 0.00 0.70 0.00 0.00 175.22 176.66 1n04 s ALA 433 N -0.86 3.69 0.02 5.36 0.00 0.27 -1.70 121.76 128.55 1n04 s ALA 433 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 1n04 s ALA 433 Cb -0.10 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1n04 s ALA 433 CO 0.03 0.49 0.02 0.08 0.00 0.00 0.00 175.76 176.38 1n04 s VAL 434 N -1.19 0.12 -0.31 0.00 1.01 0.24 -0.50 120.40 119.77 1n04 s VAL 434 Ca 0.27 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 1n04 s VAL 434 Cb -0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1n04 s VAL 434 CO 0.15 -0.55 0.19 0.00 0.00 0.00 0.00 175.10 174.89 1n04 s ALA 435 N -1.92 3.42 -0.05 5.51 0.00 -1.26 -0.14 121.76 127.31 1n04 s ALA 435 Ca -0.11 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 1n04 s ALA 435 Cb -0.06 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1n04 s ALA 435 CO -0.02 -0.85 0.01 0.08 0.00 0.00 0.00 175.76 174.98 1n04 s VAL 436 N 1.69 4.31 0.22 0.00 1.01 0.22 0.16 120.40 128.01 1n04 s VAL 436 Ca 0.06 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 1n04 s VAL 436 Cb -0.17 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1n04 s VAL 436 CO 0.09 0.51 0.28 0.00 0.00 0.00 0.00 175.10 175.98 1n04 s ALA 437 N -0.97 0.60 1.07 5.51 0.00 0.16 -1.36 121.76 126.77 1n04 s ALA 437 Ca 0.16 -1.37 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 1n04 s ALA 437 Cb -0.11 1.26 0.23 0.00 0.00 0.00 0.00 23.12 24.49 1n04 s ALA 437 CO 0.06 -0.70 1.14 1.03 0.00 0.00 0.00 175.76 177.29 1n04 s ARG 438 N -4.08 -0.20 -0.13 0.00 1.81 -1.26 0.21 118.95 115.30 1n04 s ARG 438 Ca 0.32 0.06 -0.12 0.00 -1.72 0.00 0.00 55.73 54.26 1n04 s ARG 438 Cb 0.04 -1.70 -0.11 0.00 -0.45 0.00 0.00 34.95 32.73 1n04 s ARG 438 CO 0.11 -3.06 0.26 1.57 -0.68 0.00 0.00 175.30 173.51 1n04 h LYS 439 N -2.11 0.00 0.00 3.54 2.10 -1.67 -3.33 116.57 115.09 1n04 h LYS 439 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1n04 h LYS 439 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1n04 h LYS 439 CO 0.45 0.41 0.00 0.38 -2.00 0.00 0.00 179.45 178.69 1n04 h ASP 440 N -1.00 0.00 -2.04 7.07 2.03 -1.91 -3.45 116.42 117.12 1n04 h ASP 440 Ca -0.02 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.66 1n04 h ASP 440 Cb 0.48 0.00 0.15 0.00 -0.83 0.00 0.00 39.33 39.13 1n04 h ASP 440 CO -0.01 0.00 -0.67 -0.24 -1.03 0.00 0.00 179.24 177.29 1n04 n SER 441 N -3.00 -1.86 -2.18 4.15 2.88 -1.25 -4.89 113.62 107.48 1n04 n SER 441 Ca 0.01 0.86 -0.26 0.00 -1.33 0.00 0.00 58.87 58.14 1n04 n SER 441 Cb 0.29 -1.00 0.02 0.00 -0.75 0.00 0.00 64.21 62.77 1n04 n SER 441 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1n04 n ASN 442 N 1.76 5.13 -4.47 -3.46 5.15 -1.26 -4.97 115.26 113.14 1n04 n ASN 442 Ca 0.11 -3.75 -0.33 0.00 -0.60 0.00 0.00 54.58 50.01 1n04 n ASN 442 Cb 0.40 -0.43 -0.13 0.00 -0.53 0.00 0.00 39.78 39.09 1n04 n ASN 442 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1n04 s VAL 443 N -4.87 3.51 0.19 3.44 1.01 -1.26 -5.04 120.40 117.38 1n04 s VAL 443 Ca 0.51 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1n04 s VAL 443 Cb 0.41 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1n04 s VAL 443 CO -0.03 0.53 -0.11 0.54 0.00 0.00 0.00 175.10 176.02 1n04 s ASN 444 N 0.04 2.29 0.56 3.32 6.03 -1.26 -5.01 114.94 120.90 1n04 s ASN 444 Ca -0.02 -1.04 0.32 0.00 -1.03 0.00 0.00 52.86 51.09 1n04 s ASN 444 Cb -0.14 -0.09 1.47 0.00 -3.03 0.00 0.00 41.25 39.47 1n04 s ASN 444 CO 0.03 -0.26 1.83 -0.25 -2.03 0.00 0.00 177.10 176.42 1n04 h TRP 445 N 2.60 0.00 -0.75 1.54 2.91 -1.87 0.13 115.95 120.51 1n04 h TRP 445 Ca -0.38 0.00 -0.27 0.00 1.13 0.00 0.00 58.89 59.37 1n04 h TRP 445 Cb 1.21 0.00 -0.16 0.00 -0.51 0.00 0.00 29.16 29.70 1n04 h TRP 445 CO 0.68 0.00 0.34 0.09 -1.03 0.00 0.00 178.44 178.52 1n04 n ASN 446 N -4.03 4.44 -0.00 2.65 3.02 -1.26 -3.71 115.26 116.37 1n04 n ASN 446 Ca 0.19 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.53 1n04 n ASN 446 Cb 1.02 -0.75 -0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1n04 n ASN 446 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n04 n ASN 447 N -0.32 4.87 0.00 6.41 3.02 0.43 -4.68 115.26 125.00 1n04 n ASN 447 Ca 0.42 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1n04 n ASN 447 Cb 1.39 0.98 0.00 0.00 -0.61 0.00 0.00 39.78 41.54 1n04 n ASN 447 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1n04 n LEU 448 N -1.56 0.00 0.00 3.41 4.32 -1.21 -3.00 117.00 118.96 1n04 n LEU 448 Ca -0.00 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.00 1n04 n LEU 448 Cb 0.06 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 41.90 1n04 n LEU 448 CO 0.01 0.00 0.43 1.17 -1.22 0.00 0.00 177.39 177.78 1n04 n LYS 449 N -0.60 0.03 -0.23 3.23 0.00 -1.26 -3.48 118.16 115.85 1n04 n LYS 449 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 58.31 58.57 1n04 n LYS 449 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1n04 n LYS 449 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1n04 n GLY 450 N -1.12 0.49 3.95 3.14 0.00 -1.16 -4.75 105.19 105.73 1n04 n GLY 450 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1n04 n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n04 s LYS 451 N 0.00 1.23 -0.12 1.61 -0.14 -1.23 -3.72 119.74 117.36 1n04 s LYS 451 Ca 0.00 -0.55 -0.13 0.00 -1.36 0.00 0.00 55.97 53.93 1n04 s LYS 451 Cb 0.00 -2.03 -0.05 0.00 -1.68 0.00 0.00 37.83 34.07 1n04 s LYS 451 CO 0.00 -1.93 0.31 0.15 -0.76 0.00 0.00 175.35 173.11 1n04 s LYS 452 N -5.58 4.10 0.18 1.68 1.02 -1.25 -2.78 119.74 117.10 1n04 s LYS 452 Ca 0.69 0.15 0.11 0.00 0.02 0.00 0.00 55.97 56.94 1n04 s LYS 452 Cb -0.06 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 1n04 s LYS 452 CO 0.49 0.38 -0.24 -1.54 -0.92 0.00 0.00 175.35 173.53 1n04 s SER 453 N 0.00 3.30 -0.16 2.83 1.04 0.10 -0.13 113.70 120.68 1n04 s SER 453 Ca 0.18 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.78 1n04 s SER 453 Cb -0.14 -0.23 0.02 0.00 0.10 0.00 0.00 66.02 65.77 1n04 s SER 453 CO 0.06 0.11 -0.16 0.00 0.98 0.00 0.00 173.24 174.23 1n04 s HIS 455 N 1.41 2.57 0.02 0.00 3.76 0.47 -1.99 115.29 121.53 1n04 s HIS 455 Ca 0.05 -0.25 -0.25 0.00 -0.15 0.00 0.00 55.06 54.46 1n04 s HIS 455 Cb -0.13 -1.40 -0.17 0.00 1.11 0.00 0.00 32.58 31.99 1n04 s HIS 455 CO -0.11 0.35 1.36 1.79 -0.85 0.00 0.00 174.74 177.27 1n04 h THR 456 N 3.66 0.85 -1.46 1.30 1.35 -1.76 -3.38 112.91 113.47 1n04 h THR 456 Ca -0.49 -0.55 0.11 0.00 -0.55 0.00 0.00 66.41 64.94 1n04 h THR 456 Cb 1.16 1.16 -0.24 0.00 -1.73 0.00 0.00 68.15 68.51 1n04 h THR 456 CO 0.47 0.12 0.63 0.00 -0.25 0.00 0.00 175.52 176.49 1n04 s ALA 457 N -5.06 -1.97 -0.04 6.62 0.00 -1.26 -0.99 121.76 119.06 1n04 s ALA 457 Ca -0.15 1.65 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 1n04 s ALA 457 Cb 0.03 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1n04 s ALA 457 CO 0.60 -0.30 1.15 0.08 0.00 0.00 0.00 175.76 177.29 1n04 s VAL 458 N -1.09 4.35 0.00 0.00 1.01 -0.71 -2.99 120.40 120.96 1n04 s VAL 458 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1n04 s VAL 458 Cb -0.01 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1n04 s VAL 458 CO -0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1n04 n GLY 459 N 3.26 0.49 3.88 4.51 0.00 -1.26 -4.95 105.19 111.12 1n04 n GLY 459 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1n04 n GLY 459 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n04 s ARG 460 N -0.70 3.75 0.00 1.61 0.52 -1.16 -4.37 118.95 118.59 1n04 s ARG 460 Ca 0.00 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.63 1n04 s ARG 460 Cb 0.00 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 33.07 1n04 s ARG 460 CO 0.00 -0.04 0.78 2.41 0.02 0.00 0.00 175.30 178.47 1n04 n THR 461 N -1.37 0.00 -0.05 0.02 -1.04 -1.26 0.07 114.28 110.65 1n04 n THR 461 Ca 0.02 1.28 -0.12 0.00 -2.04 0.00 0.00 64.05 63.19 1n04 n THR 461 Cb 0.54 -1.96 -0.07 0.00 -1.82 0.00 0.00 70.33 67.03 1n04 n THR 461 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n04 h ALA 462 N -1.64 0.20 0.00 2.41 0.00 -1.96 -0.17 119.26 118.11 1n04 h ALA 462 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1n04 h ALA 462 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1n04 h ALA 462 CO 0.00 -0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1n04 n GLY 463 N -0.01 -1.33 2.11 0.00 0.00 -1.25 -4.26 105.19 100.44 1n04 n GLY 463 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1n04 n GLY 463 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1n04 n TRP 464 N -1.48 -3.38 0.00 1.61 -0.00 -0.84 -4.24 117.44 109.10 1n04 n TRP 464 Ca 0.07 0.93 0.00 0.00 -0.00 0.00 0.00 57.50 58.49 1n04 n TRP 464 Cb 0.28 2.17 0.00 0.00 -0.00 0.00 0.00 31.31 33.77 1n04 n TRP 464 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1n04 n VAL 465 N -3.31 0.00 -0.09 5.87 0.31 0.11 0.03 118.33 121.25 1n04 n VAL 465 Ca 0.00 1.28 -0.09 0.00 -0.01 0.00 0.00 64.34 65.52 1n04 n VAL 465 Cb 0.00 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.02 1n04 n VAL 465 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1n04 h ILE 466 N 0.00 0.20 0.01 2.52 1.08 -1.23 1.03 117.51 121.12 1n04 h ILE 466 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1n04 h ILE 466 Cb 0.00 0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 33.95 1n04 h ILE 466 CO 0.00 0.00 -0.02 -0.65 -0.69 0.00 0.00 178.15 176.79 1n04 h PRO 467 N -0.31 -0.03 -0.13 2.37 0.11 -1.67 -1.00 132.00 131.33 1n04 h PRO 467 Ca 0.15 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.30 1n04 h PRO 467 Cb 0.56 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1n04 h PRO 467 CO -0.51 -0.02 0.17 0.52 -0.21 0.00 0.00 178.00 177.95 1n04 h MET 468 N -0.03 0.00 -0.30 1.05 2.86 -0.33 0.12 114.93 118.30 1n04 h MET 468 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1n04 h MET 468 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1n04 h MET 468 CO -0.01 0.00 0.15 0.78 1.06 0.00 0.00 176.91 178.89 1n04 h GLY 469 N 0.00 0.46 2.00 8.32 0.00 0.20 0.17 103.07 114.22 1n04 h GLY 469 Ca 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1n04 h GLY 469 CO -0.00 0.22 -0.01 1.41 0.00 0.00 0.00 176.54 178.16 1n04 h LEU 470 N 0.35 0.00 0.00 3.11 3.38 0.51 0.46 115.31 123.12 1n04 h LEU 470 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1n04 h LEU 470 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1n04 h LEU 470 CO -0.01 0.01 -0.15 0.40 0.09 0.00 0.00 178.44 178.78 1n04 h ILE 471 N 0.00 0.16 -0.73 1.22 5.03 -1.15 -2.92 117.51 119.11 1n04 h ILE 471 Ca -0.00 -1.13 0.21 0.00 -0.12 0.00 0.00 64.86 63.82 1n04 h ILE 471 Cb 0.05 0.31 -0.03 0.00 -3.03 0.00 0.00 36.82 34.12 1n04 h ILE 471 CO 0.00 0.05 0.59 -0.74 -0.68 0.00 0.00 178.15 177.38 1n04 h HIS 472 N -1.00 0.00 0.07 1.37 2.76 -0.31 0.72 115.15 118.76 1n04 h HIS 472 Ca -0.01 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.90 1n04 h HIS 472 Cb 0.23 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1n04 h HIS 472 CO -0.03 0.00 -1.22 -0.97 -1.30 0.00 0.00 177.93 174.41 1n04 h ASN 473 N 0.00 0.25 0.00 3.26 -1.24 -1.05 -1.65 115.58 115.15 1n04 h ASN 473 Ca 0.35 -0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1n04 h ASN 473 Cb 1.53 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.50 1n04 h ASN 473 CO -0.00 1.22 0.00 -1.14 -1.29 0.00 0.00 177.43 176.22 1n04 n ARG 474 N -3.43 0.00 -0.40 6.67 0.63 0.20 -4.23 116.66 116.10 1n04 n ARG 474 Ca -0.07 0.00 0.32 0.00 -0.92 0.00 0.00 57.85 57.18 1n04 n ARG 474 Cb 1.00 -0.30 0.59 0.00 0.45 0.00 0.00 32.46 34.20 1n04 n ARG 474 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1n04 h THR 475 N 0.00 0.23 0.00 5.15 2.02 -0.32 -3.44 112.91 116.55 1n04 h THR 475 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1n04 h THR 475 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1n04 h THR 475 CO 0.00 0.03 0.00 0.61 0.37 0.00 0.00 175.52 176.53 1n04 n GLY 476 N -1.47 0.66 3.98 2.16 0.00 -0.62 -5.01 105.19 104.88 1n04 n GLY 476 Ca 0.34 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.15 1n04 n GLY 476 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n04 s THR 477 N -2.72 2.59 -0.07 2.61 2.01 -1.25 -4.98 115.64 113.83 1n04 s THR 477 Ca 0.00 -0.67 0.07 0.00 0.31 0.00 0.00 61.69 61.40 1n04 s THR 477 Cb 0.00 -2.93 -0.10 0.00 0.01 0.00 0.00 72.50 69.49 1n04 s THR 477 CO 0.00 0.00 0.04 0.00 -0.69 0.00 0.00 174.62 173.97 1n04 s ASN 479 N -3.81 6.68 -0.06 0.00 2.47 -1.26 -4.86 114.94 114.11 1n04 s ASN 479 Ca -0.04 2.03 0.11 0.00 0.42 0.00 0.00 52.86 55.38 1n04 s ASN 479 Cb 0.03 -2.53 -0.16 0.00 -1.45 0.00 0.00 41.25 37.13 1n04 s ASN 479 CO 0.31 -0.94 0.16 0.49 -3.72 0.00 0.00 177.10 173.40 1n04 n PHE 480 N 7.23 0.00 -0.12 0.43 3.72 -1.26 -4.61 117.46 122.84 1n04 n PHE 480 Ca 0.17 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.70 1n04 n PHE 480 Cb 0.44 -0.38 0.50 0.00 -0.94 0.00 0.00 39.48 39.09 1n04 n PHE 480 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1n04 h ASP 481 N 0.00 0.38 -1.85 4.37 3.58 -1.98 -3.17 116.42 117.75 1n04 h ASP 481 Ca -0.13 0.01 -0.76 0.00 0.42 0.00 0.00 57.03 56.57 1n04 h ASP 481 Cb 1.04 -0.06 -0.23 0.00 1.72 0.00 0.00 39.33 41.80 1n04 h ASP 481 CO 0.01 0.22 1.30 -0.62 -2.88 0.00 0.00 179.24 177.27 1n04 n GLU 482 N -4.47 4.51 0.00 0.28 1.02 -1.26 -4.31 120.64 116.41 1n04 n GLU 482 Ca 0.12 -3.99 0.00 0.00 -0.02 0.00 0.00 57.16 53.27 1n04 n GLU 482 Cb 0.45 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 1n04 n GLU 482 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1n04 n TYR 483 N 0.34 0.00 -4.30 -0.32 4.19 -1.20 -5.05 117.16 110.82 1n04 n TYR 483 Ca 0.52 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.50 1n04 n TYR 483 Cb 0.28 0.00 -0.13 0.00 0.49 0.00 0.00 39.34 39.98 1n04 n TYR 483 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 1n04 s PHE 484 N -0.93 1.70 0.34 2.98 0.08 -1.26 -4.08 117.98 116.80 1n04 s PHE 484 Ca 0.00 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.67 1n04 s PHE 484 Cb 0.00 -0.94 0.66 0.00 -0.57 0.00 0.00 43.02 42.16 1n04 s PHE 484 CO 0.00 0.17 1.95 0.66 -0.10 0.00 0.00 175.22 177.91 1n04 h SER 485 N 4.17 0.75 -4.15 1.36 4.64 -1.60 -3.45 113.55 115.27 1n04 h SER 485 Ca -0.45 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.05 1n04 h SER 485 Cb 1.18 -0.16 -0.20 0.00 -0.31 0.00 0.00 62.40 62.91 1n04 h SER 485 CO 0.40 0.50 0.71 -1.83 -0.87 0.00 0.00 176.83 175.73 1n04 s GLU 486 N -5.76 0.44 0.00 4.77 -1.05 -1.25 -4.89 118.70 110.96 1n04 s GLU 486 Ca -0.10 -0.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 1n04 s GLU 486 Cb 0.19 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1n04 s GLU 486 CO 0.78 -0.18 0.00 0.41 0.95 0.00 0.00 175.26 177.22 1n04 n GLY 487 N 0.14 2.53 3.52 -3.83 0.00 -1.02 -0.72 105.19 105.80 1n04 n GLY 487 Ca -0.04 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 1n04 n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n04 s ALA 489 N 2.11 -0.87 0.61 0.00 0.00 -1.11 0.18 121.76 122.69 1n04 s ALA 489 Ca -0.07 -0.63 -0.13 0.00 0.00 0.00 0.00 51.96 51.13 1n04 s ALA 489 Cb -0.09 -2.18 -0.11 0.00 0.00 0.00 0.00 23.12 20.75 1n04 s ALA 489 CO -0.17 -2.11 -0.42 -2.30 0.00 0.00 0.00 175.76 170.76 1n04 n PRO 490 N 4.41 0.00 -0.12 0.00 -0.02 -1.26 -1.48 135.00 136.53 1n04 n PRO 490 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1n04 n PRO 490 Cb 0.48 -0.74 0.00 0.00 -0.02 0.00 0.00 33.50 33.22 1n04 n PRO 490 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n04 n GLY 491 N 2.34 1.77 3.88 -1.23 0.00 0.28 -1.74 105.19 110.49 1n04 n GLY 491 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1n04 n GLY 491 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n04 s SER 492 N -3.21 6.27 -0.73 1.61 0.01 -0.55 -4.89 113.70 112.20 1n04 s SER 492 Ca 0.00 1.23 -0.36 0.00 1.31 0.00 0.00 55.95 58.13 1n04 s SER 492 Cb 0.00 -2.38 -0.20 0.00 0.21 0.00 0.00 66.02 63.65 1n04 s SER 492 CO 0.00 -0.73 2.34 -2.65 0.41 0.00 0.00 173.24 172.61 1n04 n PRO 493 N -2.46 0.00 -0.33 12.44 -0.02 -1.26 -4.80 135.00 138.56 1n04 n PRO 493 Ca 0.04 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.67 1n04 n PRO 493 Cb 0.54 -1.45 0.31 0.00 -0.02 0.00 0.00 33.50 32.89 1n04 n PRO 493 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1n04 h PRO 494 N 10.17 0.03 -3.27 0.52 0.13 -1.91 -2.45 132.00 135.22 1n04 h PRO 494 Ca -0.07 -0.00 -0.80 0.00 -0.87 0.00 0.00 66.00 64.25 1n04 h PRO 494 Cb 1.32 -0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.16 1n04 h PRO 494 CO 1.20 0.02 0.66 0.09 -0.23 0.00 0.00 178.00 179.74 1n04 n ASN 495 N -5.44 5.95 -3.64 1.44 3.02 -1.26 -4.70 115.26 110.63 1n04 n ASN 495 Ca 0.24 -3.22 -0.10 0.00 -0.03 0.00 0.00 54.58 51.46 1n04 n ASN 495 Cb 0.78 -1.33 -0.05 0.00 -0.61 0.00 0.00 39.78 38.57 1n04 n ASN 495 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1n04 s SER 496 N -0.16 -0.23 0.37 6.41 1.04 -0.92 -5.03 113.70 115.19 1n04 s SER 496 Ca 0.31 -0.33 0.15 0.00 0.48 0.00 0.00 55.95 56.56 1n04 s SER 496 Cb -0.02 0.47 1.01 0.00 0.10 0.00 0.00 66.02 67.57 1n04 s SER 496 CO 0.01 -0.86 1.77 0.03 0.98 0.00 0.00 173.24 175.18 1n04 h ARG 497 N 2.37 0.47 0.00 4.02 2.47 -1.88 0.79 114.38 122.62 1n04 h ARG 497 Ca -0.34 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1n04 h ARG 497 Cb 1.26 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1n04 h ARG 497 CO 0.47 0.31 0.00 -0.07 0.56 0.00 0.00 179.97 181.24 1n04 h LEU 498 N 0.49 0.00 0.00 3.04 -0.00 -1.84 -2.65 115.31 114.35 1n04 h LEU 498 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.47 1n04 h LEU 498 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.99 1n04 h LEU 498 CO -0.33 0.00 -1.26 0.00 -0.00 0.00 0.00 178.44 176.85 1n04 h GLN 500 N 0.00 -0.11 0.00 0.00 4.20 -1.17 0.13 115.11 118.17 1n04 h GLN 500 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1n04 h GLN 500 Cb 0.98 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1n04 h GLN 500 CO 0.00 -0.07 0.06 -0.07 -0.67 0.00 0.00 178.83 178.08 1n04 h LEU 501 N -0.11 0.00-10.06 1.46 3.38 -1.34 -3.43 115.31 105.21 1n04 h LEU 501 Ca 0.04 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.46 1n04 h LEU 501 Cb 0.21 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.10 1n04 h LEU 501 CO -0.27 0.00 0.59 0.00 0.09 0.00 0.00 178.44 178.86 1n04 n GLN 503 N -1.17 0.62 0.00 0.00 1.13 -1.26 -4.91 117.38 111.79 1n04 n GLN 503 Ca 0.11 -0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1n04 n GLN 503 Cb 0.46 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.33 1n04 n GLN 503 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1n04 n GLY 504 N 1.39 -0.07 0.09 1.08 0.00 -1.26 -4.60 105.19 101.82 1n04 n GLY 504 Ca -0.05 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 1n04 n GLY 504 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1n04 n SER 505 N 0.23 2.47 0.00 1.61 2.88 -1.19 -0.72 113.62 118.90 1n04 n SER 505 Ca 0.00 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1n04 n SER 505 Cb 0.00 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1n04 n SER 505 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n04 n GLY 506 N 2.57 1.77 0.00 0.46 0.00 -1.26 -4.87 105.19 103.86 1n04 n GLY 506 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1n04 n GLY 506 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n04 n GLY 507 N -0.57 4.95 0.00 -0.02 0.00 -1.26 -5.09 105.19 103.20 1n04 n GLY 507 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1n04 n GLY 507 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1n04 n ILE 508 N 0.00 0.00 -3.35 -0.61 5.41 -1.26 -3.69 119.36 115.86 1n04 n ILE 508 Ca 0.00 0.20 -0.40 0.00 1.00 0.00 0.00 62.75 63.55 1n04 n ILE 508 Cb 0.00 -0.32 -0.09 0.00 -0.71 0.00 0.00 39.64 38.52 1n04 n ILE 508 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1n04 s PRO 509 N -0.55 3.86 0.00 0.38 0.04 -1.26 -5.02 135.00 132.45 1n04 s PRO 509 Ca 0.00 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1n04 s PRO 509 Cb 0.00 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1n04 s PRO 509 CO 0.00 -0.39 0.00 -2.30 0.04 0.00 0.00 177.00 174.35 1n04 n PRO 510 N 5.43 0.00 -0.44 0.56 -0.02 -1.24 -4.86 135.00 134.42 1n04 n PRO 510 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1n04 n PRO 510 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1n04 n PRO 510 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1n04 n GLU 511 N 0.00 0.00 -2.67 -0.52 1.02 -1.26 -3.20 120.64 114.01 1n04 n GLU 511 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1n04 n GLU 511 Cb 0.00 -0.78 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 1n04 n GLU 511 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1n04 s LYS 512 N -1.66 4.56 -0.03 3.49 -2.85 -1.26 -3.45 119.74 118.53 1n04 s LYS 512 Ca 0.00 1.48 0.00 0.00 -1.00 0.00 0.00 55.97 56.45 1n04 s LYS 512 Cb 0.00 -3.43 0.00 0.00 -2.06 0.00 0.00 37.83 32.34 1n04 s LYS 512 CO 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 175.35 175.41 1n04 s VAL 514 N -2.00 3.92 -1.26 0.00 0.11 -1.22 1.00 120.40 120.95 1n04 s VAL 514 Ca 0.00 1.39 -0.09 0.00 -2.93 0.00 0.00 61.98 60.34 1n04 s VAL 514 Cb 0.00 -3.67 0.18 0.00 -1.53 0.00 0.00 36.38 31.35 1n04 s VAL 514 CO 0.00 -0.07 1.82 0.00 -3.33 0.00 0.00 175.10 173.51 1n04 n ALA 515 N -0.24 5.24 -3.64 1.54 0.00 -1.26 -3.99 120.51 118.15 1n04 n ALA 515 Ca 0.06 -4.35 -0.08 0.00 0.00 0.00 0.00 53.44 49.07 1n04 n ALA 515 Cb 0.51 -2.94 -0.02 0.00 0.00 0.00 0.00 19.45 17.00 1n04 n ALA 515 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n04 s SER 516 N 0.83 -0.37 0.65 0.00 0.15 -1.26 -4.61 113.70 109.09 1n04 s SER 516 Ca 0.39 -0.29 0.36 0.00 0.70 0.00 0.00 55.95 57.11 1n04 s SER 516 Cb 0.08 0.61 1.96 0.00 -1.71 0.00 0.00 66.02 66.96 1n04 s SER 516 CO 0.01 -1.06 2.14 0.77 1.20 0.00 0.00 173.24 176.30 1n04 h SER 517 N 2.00 0.00 -0.49 5.45 4.64 -1.90 -2.48 113.55 120.77 1n04 h SER 517 Ca -0.25 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.16 1n04 h SER 517 Cb 1.27 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.28 1n04 h SER 517 CO 0.30 0.00 0.03 0.45 -0.87 0.00 0.00 176.83 176.73 1n04 h HIS 518 N 0.00 0.02 -3.39 4.77 -0.00 -1.94 -3.41 115.15 111.21 1n04 h HIS 518 Ca 0.02 0.03 -0.52 0.00 -0.00 0.00 0.00 60.37 59.90 1n04 h HIS 518 Cb 0.36 0.07 0.01 0.00 -0.00 0.00 0.00 27.41 27.85 1n04 h HIS 518 CO 0.00 -0.08 0.55 -2.00 -0.00 0.00 0.00 177.93 176.40 1n04 s GLU 519 N -6.16 4.48 0.12 2.45 2.56 -0.94 -4.19 118.70 117.02 1n04 s GLU 519 Ca -0.13 1.83 -0.21 0.00 0.00 0.00 0.00 54.97 56.46 1n04 s GLU 519 Cb 0.16 -3.28 -0.05 0.00 2.00 0.00 0.00 34.13 32.96 1n04 s GLU 519 CO 0.72 -0.13 1.71 0.87 -0.56 0.00 0.00 175.26 177.87 1n04 h LYS 520 N 5.77 -0.01 -0.32 4.30 1.57 -1.15 -2.82 116.57 123.90 1n04 h LYS 520 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1n04 h LYS 520 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1n04 h LYS 520 CO 0.77 -0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.30 1n04 n TYR 521 N -5.18 0.25 -2.52 -1.35 4.01 -1.26 -4.48 117.16 106.63 1n04 n TYR 521 Ca -0.03 -0.11 -0.42 0.00 -0.16 0.00 0.00 57.90 57.18 1n04 n TYR 521 Cb 0.11 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1n04 n TYR 521 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1n04 s PHE 522 N -1.70 3.54 0.00 -0.72 5.36 -1.07 -2.13 117.98 121.26 1n04 s PHE 522 Ca 0.10 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 1n04 s PHE 522 Cb 0.06 -3.31 0.00 0.00 -0.34 0.00 0.00 43.02 39.43 1n04 s PHE 522 CO 0.06 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.45 1n04 n GLY 523 N 2.84 0.69 0.18 13.12 0.00 -0.16 -3.74 105.19 118.12 1n04 n GLY 523 Ca 0.07 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 1n04 n GLY 523 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1n04 h TYR 524 N 0.00 -0.34 0.00 1.61 0.05 -1.90 -0.75 116.97 115.65 1n04 h TYR 524 Ca 0.00 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 1n04 h TYR 524 Cb 0.00 0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1n04 h TYR 524 CO 0.00 -0.20 -0.62 1.79 -1.05 0.00 0.00 178.16 178.08 1n04 h THR 525 N -0.16 1.17 -0.00 -2.88 1.35 -1.85 -2.56 112.91 107.98 1n04 h THR 525 Ca 0.09 -2.35 -0.00 0.00 -0.55 0.00 0.00 66.41 63.60 1n04 h THR 525 Cb 0.29 2.38 -0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1n04 h THR 525 CO -0.23 0.61 0.00 1.23 -0.25 0.00 0.00 175.52 176.88 1n04 h GLY 526 N 2.78 0.00 0.90 5.82 0.00 -1.55 -0.19 103.07 110.83 1n04 h GLY 526 Ca -0.01 -0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.35 1n04 h GLY 526 CO 0.08 0.00 0.60 0.00 0.00 0.00 0.00 176.54 177.22 1n04 h ALA 527 N 0.94 1.20 -0.74 3.60 0.00 -0.60 -0.31 119.26 123.34 1n04 h ALA 527 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1n04 h ALA 527 Cb 0.06 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.45 1n04 h ALA 527 CO -0.00 0.48 0.40 1.25 0.00 0.00 0.00 179.25 181.38 1n04 h LEU 528 N 1.17 0.56 0.54 0.00 7.12 -0.98 -0.56 115.31 123.16 1n04 h LEU 528 Ca 0.36 0.05 -0.03 0.00 0.13 0.00 0.00 57.88 58.39 1n04 h LEU 528 Cb -0.03 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.05 1n04 h LEU 528 CO -0.11 0.33 -0.27 -0.09 -0.13 0.00 0.00 178.44 178.17 1n04 h ARG 529 N 0.69 -0.71 -0.90 1.25 2.43 0.62 -2.17 114.38 115.59 1n04 h ARG 529 Ca 0.35 0.05 0.23 0.00 -0.81 0.00 0.00 59.98 59.80 1n04 h ARG 529 Cb 0.32 0.16 -0.13 0.00 -0.42 0.00 0.00 29.97 29.90 1n04 h ARG 529 CO -0.24 -0.47 0.38 0.00 -1.51 0.00 0.00 179.97 178.13 1n04 h LEU 531 N 0.36 -0.62 -1.27 0.00 5.85 -0.75 -0.52 115.31 118.37 1n04 h LEU 531 Ca 0.57 0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.43 1n04 h LEU 531 Cb 1.12 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.29 1n04 h LEU 531 CO -0.56 -0.38 0.55 0.58 -0.34 0.00 0.00 178.44 178.29 1n04 h VAL 532 N -0.58 0.96 -2.05 1.05 2.07 -0.23 -3.26 116.25 114.22 1n04 h VAL 532 Ca -0.03 -0.28 -0.56 0.00 0.82 0.00 0.00 66.70 66.65 1n04 h VAL 532 Cb 0.49 0.07 -0.40 0.00 -1.52 0.00 0.00 31.29 29.94 1n04 h VAL 532 CO 0.01 0.15 -1.01 -1.84 0.02 0.00 0.00 177.57 174.90 1n04 n GLU 533 N -4.52 1.21 0.00 1.57 0.28 0.81 -4.91 120.64 115.08 1n04 n GLU 533 Ca 0.14 -3.59 0.00 0.00 -0.16 0.00 0.00 57.16 53.55 1n04 n GLU 533 Cb 0.31 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.64 1n04 n GLU 533 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1n04 n LYS 534 N 1.03 0.00 -2.13 3.44 4.76 -0.83 -4.76 118.16 119.67 1n04 n LYS 534 Ca 0.24 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.66 1n04 n LYS 534 Cb 0.52 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1n04 n LYS 534 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n04 n GLY 535 N 0.00 4.15 0.04 0.72 0.00 -0.26 -4.99 105.19 104.85 1n04 n GLY 535 Ca 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 46.02 43.81 1n04 n GLY 535 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n04 n ASP 536 N -1.19 3.04 -4.13 1.61 8.00 0.82 -4.77 116.55 119.93 1n04 n ASP 536 Ca -0.01 -0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.31 1n04 n ASP 536 Cb 0.03 0.57 -0.13 0.00 -0.02 0.00 0.00 41.12 41.58 1n04 n ASP 536 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n04 s VAL 537 N -2.20 0.96 -0.04 2.53 1.01 -0.06 -4.45 120.40 118.15 1n04 s VAL 537 Ca -0.05 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.88 1n04 s VAL 537 Cb 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1n04 s VAL 537 CO 0.32 -0.14 -0.12 0.00 0.00 0.00 0.00 175.10 175.15 1n04 s ALA 538 N -1.06 1.12 -0.14 5.51 0.00 -0.46 0.79 121.76 127.52 1n04 s ALA 538 Ca -0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 1n04 s ALA 538 Cb -0.09 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1n04 s ALA 538 CO 0.01 0.16 0.00 -0.06 0.00 0.00 0.00 175.76 175.88 1n04 s PHE 539 N 0.29 3.14 0.00 0.00 0.08 -0.84 0.71 117.98 121.35 1n04 s PHE 539 Ca -0.06 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 56.97 1n04 s PHE 539 Cb -0.11 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 1n04 s PHE 539 CO 0.02 0.20 0.00 1.51 -0.10 0.00 0.00 175.22 176.84 1n04 n ILE 540 N 3.04 0.00 -1.33 0.64 0.13 0.80 -4.41 119.36 118.22 1n04 n ILE 540 Ca -0.18 0.00 -0.29 0.00 -1.10 0.00 0.00 62.75 61.18 1n04 n ILE 540 Cb 0.53 0.00 0.14 0.00 -0.84 0.00 0.00 39.64 39.47 1n04 n ILE 540 CO 0.00 0.00 0.00 -1.58 2.80 0.00 0.00 176.55 177.77 1n04 s GLN 541 N -1.53 1.10 0.22 9.51 0.74 -1.26 0.82 119.66 129.26 1n04 s GLN 541 Ca 0.00 0.57 0.25 0.00 0.05 0.00 0.00 55.36 56.23 1n04 s GLN 541 Cb 0.00 -1.81 0.64 0.00 1.10 0.00 0.00 33.01 32.93 1n04 s GLN 541 CO 0.00 -2.28 1.64 1.12 -0.55 0.00 0.00 175.29 175.22 1n04 h HIS 542 N -1.57 0.00 -0.01 1.67 2.07 -1.68 -3.26 115.15 112.37 1n04 h HIS 542 Ca -0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.01 1n04 h HIS 542 Cb 1.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.29 1n04 h HIS 542 CO 0.36 0.00 -0.04 -1.13 -3.07 0.00 0.00 177.93 174.05 1n04 n SER 543 N -2.33 1.94 -0.05 3.10 3.41 -1.26 -4.70 113.62 113.74 1n04 n SER 543 Ca 0.05 -1.47 -0.08 0.00 -0.26 0.00 0.00 58.87 57.11 1n04 n SER 543 Cb 0.45 0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 1n04 n SER 543 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1n04 h THR 544 N 2.30 0.54 -0.10 6.66 2.02 -1.95 -1.54 112.91 120.85 1n04 h THR 544 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1n04 h THR 544 Cb 0.51 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1n04 h THR 544 CO 0.00 0.00 -0.15 0.58 0.37 0.00 0.00 175.52 176.32 1n04 h VAL 545 N -0.15 0.61 0.00 3.16 2.07 -1.84 -2.00 116.25 118.10 1n04 h VAL 545 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1n04 h VAL 545 Cb 0.35 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1n04 h VAL 545 CO -0.33 0.00 -0.04 -0.08 0.02 0.00 0.00 177.57 177.15 1n04 h GLU 546 N -0.20 0.00 0.00 1.57 4.81 -1.77 -2.43 114.58 116.57 1n04 h GLU 546 Ca 0.08 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.13 1n04 h GLU 546 Cb 0.32 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1n04 h GLU 546 CO -0.22 0.04 -0.89 0.93 -0.73 0.00 0.00 179.01 178.15 1n04 h GLU 547 N 0.00 0.00 -0.02 1.92 5.08 -0.56 -3.27 114.58 117.73 1n04 h GLU 547 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n04 h GLU 547 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1n04 h GLU 547 CO 0.01 0.89 -0.15 0.09 -1.00 0.00 0.00 179.01 178.85 1n04 n ASN 548 N -3.47 1.94 -4.48 1.42 3.02 -0.95 -4.25 115.26 108.48 1n04 n ASN 548 Ca -0.00 -1.52 -0.24 0.00 -0.03 0.00 0.00 54.58 52.78 1n04 n ASN 548 Cb 0.85 0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 40.04 1n04 n ASN 548 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1n04 s THR 549 N -2.20 2.55 0.00 3.41 -4.23 -0.96 -4.47 115.64 109.74 1n04 s THR 549 Ca 0.29 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1n04 s THR 549 Cb 0.20 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1n04 s THR 549 CO 0.41 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1n04 n GLY 550 N -0.54 0.97 3.01 3.99 0.00 -1.24 -3.55 105.19 107.82 1n04 n GLY 550 Ca -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1n04 n GLY 550 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n04 n GLY 551 N -0.41 0.00 0.00 -0.02 0.00 -1.26 -4.77 105.19 98.74 1n04 n GLY 551 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1n04 n GLY 551 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n04 n LYS 552 N 0.93 0.93 -3.63 1.61 5.02 -1.23 -4.64 118.16 117.14 1n04 n LYS 552 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1n04 n LYS 552 Cb 0.49 -1.11 -0.07 0.00 -0.02 0.00 0.00 35.03 34.32 1n04 n LYS 552 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1n04 s ASN 553 N -1.28 -0.73 -0.43 4.39 3.04 -1.26 -4.75 114.94 113.91 1n04 s ASN 553 Ca 0.10 1.15 0.04 0.00 0.04 0.00 0.00 52.86 54.19 1n04 s ASN 553 Cb 0.05 1.35 0.45 0.00 -1.54 0.00 0.00 41.25 41.56 1n04 s ASN 553 CO 0.08 -0.18 1.47 0.29 -3.04 0.00 0.00 177.10 175.71 1n04 n LYS 554 N 4.09 3.30 -2.77 0.43 4.76 -1.26 -3.72 118.16 122.99 1n04 n LYS 554 Ca -0.19 -3.91 -0.33 0.00 -2.87 0.00 0.00 58.31 51.01 1n04 n LYS 554 Cb 0.58 -2.28 -0.06 0.00 -1.84 0.00 0.00 35.03 31.42 1n04 n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n04 s ALA 555 N -3.68 3.07 0.35 7.82 0.00 -1.26 -4.78 121.76 123.28 1n04 s ALA 555 Ca 0.55 0.33 0.25 0.00 0.00 0.00 0.00 51.96 53.09 1n04 s ALA 555 Cb 0.44 -3.11 1.19 0.00 0.00 0.00 0.00 23.12 21.64 1n04 s ALA 555 CO -0.01 0.08 1.27 -0.25 0.00 0.00 0.00 175.76 176.85 1n04 n ASP 556 N -0.79 0.19 0.00 0.00 9.92 -1.26 -1.44 116.55 123.17 1n04 n ASP 556 Ca 0.07 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.49 1n04 n ASP 556 Cb 0.54 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 1n04 n ASP 556 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 1n04 n TRP 557 N -4.41 0.00 0.09 1.24 4.27 -1.26 -4.41 117.44 112.96 1n04 n TRP 557 Ca 0.32 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 54.08 1n04 n TRP 557 Cb 1.24 -0.04 0.31 0.00 -1.36 0.00 0.00 31.31 31.45 1n04 n TRP 557 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1n04 h ALA 558 N -2.00 2.35 -1.36 -1.67 0.00 -1.85 -2.76 119.26 111.98 1n04 h ALA 558 Ca 0.00 -0.02 0.48 0.00 0.00 0.00 0.00 54.91 55.37 1n04 h ALA 558 Cb 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.68 1n04 h ALA 558 CO 0.00 -1.22 0.86 1.63 0.00 0.00 0.00 179.25 180.52 1n04 n LYS 559 N -2.93 -0.04 -0.01 0.00 5.02 -0.52 -0.75 118.16 118.93 1n04 n LYS 559 Ca 0.10 1.27 0.05 0.00 -2.02 0.00 0.00 58.31 57.71 1n04 n LYS 559 Cb 1.13 -2.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.70 1n04 n LYS 559 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n04 n ASN 560 N -4.77 1.84 -4.77 4.39 4.13 -1.04 -4.80 115.26 110.24 1n04 n ASN 560 Ca 0.40 -1.43 -0.40 0.00 1.68 0.00 0.00 54.58 54.83 1n04 n ASN 560 Cb 1.55 -0.02 -0.01 0.00 -1.54 0.00 0.00 39.78 39.77 1n04 n ASN 560 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1n04 s LEU 561 N -0.78 4.28 0.11 3.41 1.02 0.07 -5.05 118.68 121.74 1n04 s LEU 561 Ca 0.11 2.69 0.07 0.00 0.02 0.00 0.00 54.13 57.02 1n04 s LEU 561 Cb 0.08 -3.82 -0.04 0.00 0.02 0.00 0.00 46.19 42.43 1n04 s LEU 561 CO 0.12 -0.76 -0.17 -1.10 0.02 0.00 0.00 176.35 174.45 1n04 s GLN 562 N -2.11 1.08 -0.28 1.70 -1.52 -1.26 -3.70 119.66 113.58 1n04 s GLN 562 Ca 0.54 -1.19 -0.03 0.00 -1.95 0.00 0.00 55.36 52.73 1n04 s GLN 562 Cb -0.39 -1.16 0.05 0.00 -0.22 0.00 0.00 33.01 31.29 1n04 s GLN 562 CO 0.51 0.25 2.57 0.00 -0.25 0.00 0.00 175.29 178.37 1n04 n MET 563 N 0.82 1.96 0.00 2.91 0.00 -1.26 -2.76 117.12 118.79 1n04 n MET 563 Ca -0.17 -1.57 0.00 0.00 0.00 0.00 0.00 57.70 55.95 1n04 n MET 563 Cb 0.55 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 31.97 1n04 n MET 563 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1n04 n ASP 564 N 1.04 1.71 -0.34 3.17 9.92 -1.26 -4.52 116.55 126.27 1n04 n ASP 564 Ca 0.36 -0.04 0.02 0.00 -0.53 0.00 0.00 54.79 54.60 1n04 n ASP 564 Cb 0.62 0.42 0.07 0.00 -0.64 0.00 0.00 41.12 41.59 1n04 n ASP 564 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1n04 n ASP 565 N -0.60 0.96 -4.02 -2.24 8.00 -1.11 -4.46 116.55 113.08 1n04 n ASP 565 Ca 0.00 -2.02 -0.11 0.00 0.71 0.00 0.00 54.79 53.37 1n04 n ASP 565 Cb 0.00 -0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 40.83 1n04 n ASP 565 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1n04 s PHE 566 N -1.74 0.45 0.02 1.24 0.08 -1.26 -2.26 117.98 114.51 1n04 s PHE 566 Ca 0.10 -0.54 -0.04 0.00 0.12 0.00 0.00 56.93 56.57 1n04 s PHE 566 Cb 0.06 -0.29 -0.01 0.00 -0.57 0.00 0.00 43.02 42.20 1n04 s PHE 566 CO 0.06 -0.15 0.05 -1.21 -0.10 0.00 0.00 175.22 173.88 1n04 s GLU 567 N -1.64 0.44 0.25 0.44 2.02 0.56 -4.64 118.70 116.13 1n04 s GLU 567 Ca -0.12 -0.60 -0.12 0.00 0.02 0.00 0.00 54.97 54.15 1n04 s GLU 567 Cb -0.09 0.17 -0.08 0.00 0.10 0.00 0.00 34.13 34.23 1n04 s GLU 567 CO -0.01 -0.10 0.61 -0.51 0.02 0.00 0.00 175.26 175.28 1n04 s LEU 568 N -1.65 4.15 -0.35 1.80 1.43 -0.87 0.40 118.68 123.58 1n04 s LEU 568 Ca -0.12 1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.92 1n04 s LEU 568 Cb -0.06 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.38 1n04 s LEU 568 CO -0.01 -0.10 0.21 -0.76 0.23 0.00 0.00 176.35 175.92 1n04 s LEU 569 N -2.79 4.54 -0.12 1.79 1.43 0.42 -2.50 118.68 121.45 1n04 s LEU 569 Ca 0.49 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 1n04 s LEU 569 Cb -0.11 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1n04 s LEU 569 CO 0.20 -0.30 1.07 0.00 0.23 0.00 0.00 176.35 177.55 1n04 n THR 571 N 4.77 0.00 -3.74 0.00 -1.04 -1.26 -3.68 114.28 109.32 1n04 n THR 571 Ca 0.10 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.99 1n04 n THR 571 Cb 0.47 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.86 1n04 n THR 571 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1n04 s ASP 572 N -1.73 -0.28 0.00 8.00 2.15 -1.26 -4.93 116.67 118.62 1n04 s ASP 572 Ca 0.00 0.55 0.00 0.00 0.43 0.00 0.00 52.55 53.53 1n04 s ASP 572 Cb 0.00 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 43.09 1n04 s ASP 572 CO 0.00 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 1n04 n GLY 573 N 3.84 1.16 0.00 2.66 0.00 -1.24 -5.02 105.19 106.59 1n04 n GLY 573 Ca -0.21 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1n04 n GLY 573 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n04 n ARG 574 N 0.00 2.19 -4.29 1.61 0.00 -1.26 -4.70 116.66 110.22 1n04 n ARG 574 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 1n04 n ARG 574 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 32.40 1n04 n ARG 574 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1n04 n ARG 575 N -0.32 0.94 -3.78 2.89 1.74 -1.26 -1.89 116.66 114.98 1n04 n ARG 575 Ca 0.00 -3.17 -0.03 0.00 -0.77 0.00 0.00 57.85 53.88 1n04 n ARG 575 Cb 0.00 0.87 -0.00 0.00 -1.02 0.00 0.00 32.46 32.31 1n04 n ARG 575 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n04 s ALA 576 N -2.75 -1.67 0.39 7.54 0.00 -1.04 -4.86 121.76 119.37 1n04 s ALA 576 Ca 0.01 0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.74 1n04 s ALA 576 Cb 0.00 0.65 -0.10 0.00 0.00 0.00 0.00 23.12 23.67 1n04 s ALA 576 CO 0.00 -1.05 1.40 1.21 0.00 0.00 0.00 175.76 177.32 1n04 s ASN 577 N -3.05 6.30 0.00 0.00 3.04 -1.26 -2.05 114.94 117.91 1n04 s ASN 577 Ca 0.15 2.87 0.03 0.00 0.04 0.00 0.00 52.86 55.95 1n04 s ASN 577 Cb -0.01 -2.65 0.17 0.00 -1.54 0.00 0.00 41.25 37.21 1n04 s ASN 577 CO 0.03 -0.88 0.95 0.52 -3.04 0.00 0.00 177.10 174.68 1n04 n VAL 578 N 0.29 1.12 0.01 -5.21 0.31 -1.26 -1.28 118.33 112.31 1n04 n VAL 578 Ca 0.02 0.28 0.02 0.00 -0.01 0.00 0.00 64.34 64.65 1n04 n VAL 578 Cb 0.41 -1.22 -0.10 0.00 -0.91 0.00 0.00 33.84 32.02 1n04 n VAL 578 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1n04 n MET 579 N -1.32 0.64 -1.98 5.55 2.81 -1.26 -4.42 117.12 117.14 1n04 n MET 579 Ca 0.02 0.10 -0.38 0.00 -1.81 0.00 0.00 57.70 55.62 1n04 n MET 579 Cb 0.03 -1.72 -0.01 0.00 -0.71 0.00 0.00 33.22 30.81 1n04 n MET 579 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1n04 n ASP 580 N -2.73 7.81 0.10 7.83 8.00 -0.40 -4.55 116.55 132.61 1n04 n ASP 580 Ca -0.11 -3.20 0.04 0.00 0.71 0.00 0.00 54.79 52.23 1n04 n ASP 580 Cb 0.80 -1.33 -0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1n04 n ASP 580 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1n04 h TYR 581 N 4.36 0.00 0.00 1.24 -0.00 -1.77 -2.80 116.97 118.00 1n04 h TYR 581 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.38 1n04 h TYR 581 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.08 1n04 h TYR 581 CO 1.57 0.42 0.00 0.54 -0.00 0.00 0.00 178.16 180.69 1n04 n ARG 582 N -3.03 0.15 0.00 0.10 1.74 -1.26 -2.32 116.66 112.04 1n04 n ARG 582 Ca -0.02 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1n04 n ARG 582 Cb 0.73 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1n04 n ARG 582 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1n04 n GLU 583 N -1.35 5.52 -3.18 5.56 -0.58 -1.21 -4.88 120.64 120.52 1n04 n GLU 583 Ca 0.06 -0.05 -0.22 0.00 -0.42 0.00 0.00 57.16 56.54 1n04 n GLU 583 Cb 0.13 -0.50 -0.06 0.00 -0.57 0.00 0.00 31.44 30.44 1n04 n GLU 583 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n04 s ASN 585 N -0.57 1.18 0.26 0.00 2.20 -1.21 -4.68 114.94 112.11 1n04 s ASN 585 Ca 0.33 -0.84 0.05 0.00 -0.94 0.00 0.00 52.86 51.46 1n04 s ASN 585 Cb 0.11 0.05 0.34 0.00 -2.00 0.00 0.00 41.25 39.76 1n04 s ASN 585 CO -0.15 -0.34 1.63 -0.07 -2.94 0.00 0.00 177.10 175.22 1n04 h LEU 586 N 3.50 0.29 0.00 3.54 3.38 -1.10 -3.41 115.31 121.52 1n04 h LEU 586 Ca -0.36 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1n04 h LEU 586 Cb 1.18 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1n04 h LEU 586 CO 0.55 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.83 1n04 n ALA 587 N -2.47 0.00 -2.79 1.53 0.00 -1.24 -4.98 120.51 110.56 1n04 n ALA 587 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1n04 n ALA 587 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 1n04 n ALA 587 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1n04 s GLU 588 N -2.00 4.05 0.28 0.00 2.12 -1.26 -0.56 118.70 121.33 1n04 s GLU 588 Ca 0.00 -0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.09 1n04 s GLU 588 Cb 0.00 -3.29 -0.06 0.00 0.26 0.00 0.00 34.13 31.04 1n04 s GLU 588 CO 0.00 0.27 -0.05 0.14 -0.54 0.00 0.00 175.26 175.08 1n04 s VAL 589 N 0.39 1.61 0.14 3.70 -7.23 0.16 -4.96 120.40 114.21 1n04 s VAL 589 Ca 0.05 -2.12 -0.31 0.00 -1.81 0.00 0.00 61.98 57.79 1n04 s VAL 589 Cb -0.12 -2.47 -0.08 0.00 0.56 0.00 0.00 36.38 34.27 1n04 s VAL 589 CO -0.00 -0.29 1.41 -2.84 -0.31 0.00 0.00 175.10 173.07 1n04 s PRO 590 N -3.74 4.31 0.38 4.82 0.02 -1.26 -2.02 135.00 137.51 1n04 s PRO 590 Ca 0.30 2.13 -0.26 0.00 0.02 0.00 0.00 61.00 63.19 1n04 s PRO 590 Cb 0.04 -3.22 -0.09 0.00 0.02 0.00 0.00 34.50 31.25 1n04 s PRO 590 CO 0.12 -0.44 1.24 -0.08 -0.33 0.00 0.00 177.00 177.50 1n04 s THR 591 N 0.92 2.91 0.52 0.99 -1.32 -1.25 -4.42 115.64 113.98 1n04 s THR 591 Ca 0.64 0.82 -0.19 0.00 -1.21 0.00 0.00 61.69 61.75 1n04 s THR 591 Cb -0.38 -3.48 -0.10 0.00 -1.51 0.00 0.00 72.50 67.02 1n04 s THR 591 CO 0.32 0.13 0.49 1.41 -2.21 0.00 0.00 174.62 174.76 1n04 n HIS 592 N 0.32 -0.76 -4.05 9.09 8.25 -1.26 -4.75 115.22 122.06 1n04 n HIS 592 Ca 0.03 0.49 -0.08 0.00 -0.26 0.00 0.00 57.72 57.90 1n04 n HIS 592 Cb 0.44 -1.95 -0.10 0.00 1.12 0.00 0.00 29.99 29.50 1n04 n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n04 s ALA 593 N -1.66 0.36 -0.14 -1.41 0.00 -0.38 -2.03 121.76 116.50 1n04 s ALA 593 Ca 0.66 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 51.39 1n04 s ALA 593 Cb -0.50 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1n04 s ALA 593 CO 0.56 -0.30 0.81 0.08 0.00 0.00 0.00 175.76 176.92 1n04 s VAL 594 N -3.05 4.91 0.08 0.00 1.01 0.24 0.27 120.40 123.86 1n04 s VAL 594 Ca -0.01 1.61 0.08 0.00 0.00 0.00 0.00 61.98 63.66 1n04 s VAL 594 Cb 0.02 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1n04 s VAL 594 CO -0.07 0.08 -0.20 0.68 0.00 0.00 0.00 175.10 175.59 1n04 s VAL 595 N 1.84 2.68 0.34 2.92 -7.23 -0.77 -1.36 120.40 118.83 1n04 s VAL 595 Ca 0.39 -1.38 -0.08 0.00 -1.81 0.00 0.00 61.98 59.10 1n04 s VAL 595 Cb -0.17 -2.16 0.02 0.00 0.56 0.00 0.00 36.38 34.62 1n04 s VAL 595 CO 0.14 0.23 0.56 0.68 -0.31 0.00 0.00 175.10 176.41 1n04 s VAL 596 N -1.00 0.00 0.26 1.32 -7.23 0.49 -3.63 120.40 110.60 1n04 s VAL 596 Ca 0.15 -1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 58.62 1n04 s VAL 596 Cb -0.10 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.11 1n04 s VAL 596 CO 0.07 0.00 1.16 -0.13 -0.31 0.00 0.00 175.10 175.89 1n04 s ARG 597 N -2.99 4.55 0.40 4.82 0.52 -1.26 0.72 118.95 125.71 1n04 s ARG 597 Ca 0.25 1.89 0.20 0.00 -0.52 0.00 0.00 55.73 57.56 1n04 s ARG 597 Cb -0.02 -3.19 1.16 0.00 0.52 0.00 0.00 34.95 33.43 1n04 s ARG 597 CO 0.16 0.06 1.74 -1.35 0.02 0.00 0.00 175.30 175.93 1n04 h PRO 598 N 4.19 0.32 0.00 3.54 0.11 -1.92 0.22 132.00 138.47 1n04 h PRO 598 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1n04 h PRO 598 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1n04 h PRO 598 CO 0.69 0.21 0.00 -0.85 -0.21 0.00 0.00 178.00 177.84 1n04 n GLU 599 N -4.65 0.09 0.00 1.05 0.00 -1.26 -3.12 120.64 112.75 1n04 n GLU 599 Ca 0.28 0.04 0.10 0.00 0.00 0.00 0.00 57.16 57.58 1n04 n GLU 599 Cb 0.98 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.95 1n04 n GLU 599 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1n04 n LYS 600 N -1.45 1.61 -0.30 3.44 4.76 0.77 -4.53 118.16 122.46 1n04 n LYS 600 Ca 0.08 -1.24 0.07 0.00 -2.87 0.00 0.00 58.31 54.35 1n04 n LYS 600 Cb 0.29 -1.40 0.23 0.00 -1.84 0.00 0.00 35.03 32.30 1n04 n LYS 600 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n04 h ALA 601 N 3.73 1.29 0.11 7.82 0.00 -1.46 -2.47 119.26 128.27 1n04 h ALA 601 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n04 h ALA 601 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1n04 h ALA 601 CO 0.00 -0.08 -0.05 -0.97 0.00 0.00 0.00 179.25 178.15 1n04 h ASN 602 N 0.63 -0.12 0.61 0.00 -1.24 -1.83 -2.98 115.58 110.66 1n04 h ASN 602 Ca 0.46 -0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.40 1n04 h ASN 602 Cb 0.65 0.03 0.01 0.00 0.73 0.00 0.00 38.32 39.74 1n04 h ASN 602 CO -0.36 -0.03 -0.29 0.11 -1.29 0.00 0.00 177.43 175.56 1n04 h LYS 603 N -0.20 -0.79 0.00 6.67 1.79 -1.77 -3.08 116.57 119.20 1n04 h LYS 603 Ca -0.01 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1n04 h LYS 603 Cb 0.16 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1n04 h LYS 603 CO 0.02 -0.53 0.00 -0.84 -1.08 0.00 0.00 179.45 177.03 1n04 h ILE 604 N -1.05 0.00 0.00 1.86 3.07 -1.63 0.24 117.51 120.00 1n04 h ILE 604 Ca -0.08 -0.24 -0.06 0.00 1.55 0.00 0.00 64.86 66.02 1n04 h ILE 604 Cb 0.63 1.07 -0.01 0.00 -0.27 0.00 0.00 36.82 38.24 1n04 h ILE 604 CO 0.14 0.00 -0.31 -0.09 -1.05 0.00 0.00 178.15 176.84 1n04 h ARG 605 N 0.00 0.00 0.05 0.16 2.43 -1.59 -1.69 114.38 113.74 1n04 h ARG 605 Ca 0.00 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.85 1n04 h ARG 605 Cb 0.29 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1n04 h ARG 605 CO 0.00 0.31 -1.77 -0.25 -1.51 0.00 0.00 179.97 176.75 1n04 n ASP 606 N -3.23 1.98 0.21 -3.80 9.92 -0.18 -3.52 116.55 117.93 1n04 n ASP 606 Ca 0.02 0.29 0.05 0.00 -0.53 0.00 0.00 54.79 54.63 1n04 n ASP 606 Cb 0.61 -0.87 0.46 0.00 -0.64 0.00 0.00 41.12 40.68 1n04 n ASP 606 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1n04 h LEU 607 N -0.51 0.00 -0.23 0.64 3.38 -0.69 -2.18 115.31 115.72 1n04 h LEU 607 Ca -0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1n04 h LEU 607 Cb 1.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 1n04 h LEU 607 CO -0.11 0.28 -0.02 0.25 0.09 0.00 0.00 178.44 178.93 1n04 h LEU 608 N 0.00 0.00 0.17 1.67 5.85 -1.47 -2.14 115.31 119.40 1n04 h LEU 608 Ca -0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.44 1n04 h LEU 608 Cb 0.54 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.60 1n04 h LEU 608 CO 0.04 0.02 -1.18 -0.08 -0.34 0.00 0.00 178.44 176.90 1n04 h GLU 609 N 0.00 0.49 -0.53 1.25 4.81 -1.46 -2.24 114.58 116.91 1n04 h GLU 609 Ca -0.00 -0.76 -0.05 0.00 -0.13 0.00 0.00 59.36 58.41 1n04 h GLU 609 Cb 0.94 0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1n04 h GLU 609 CO 0.00 1.35 0.11 0.00 -0.73 0.00 0.00 179.01 179.75 1n04 h ARG 610 N 0.02 0.82 0.35 1.92 3.08 -1.36 -2.44 114.38 116.76 1n04 h ARG 610 Ca -0.20 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 1n04 h ARG 610 Cb 1.91 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.84 1n04 h ARG 610 CO 0.22 0.75 -0.17 1.96 -1.07 0.00 0.00 179.97 181.66 1n04 h GLN 611 N 0.78 -0.45 -0.81 0.04 1.08 -1.41 -3.07 115.11 111.28 1n04 h GLN 611 Ca 0.17 0.03 0.19 0.00 -1.45 0.00 0.00 58.65 57.59 1n04 h GLN 611 Cb 0.31 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.79 1n04 h GLN 611 CO 0.00 -0.14 0.55 1.49 -0.95 0.00 0.00 178.83 179.78 1n04 h GLU 612 N -0.97 0.31 -0.70 1.46 4.81 -1.43 0.65 114.58 118.72 1n04 h GLU 612 Ca -0.05 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1n04 h GLU 612 Cb 0.52 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1n04 h GLU 612 CO 0.08 0.21 0.37 -0.22 -0.73 0.00 0.00 179.01 178.72 1n04 h LYS 613 N 0.32 0.64 0.01 1.92 3.64 -1.43 0.99 116.57 122.66 1n04 h LYS 613 Ca 0.41 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.54 1n04 h LYS 613 Cb 1.10 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1n04 h LYS 613 CO -0.12 0.43 -0.97 0.00 -2.27 0.00 0.00 179.45 176.51 1n04 h ARG 614 N 0.66 0.02 -0.03 1.90 3.08 0.29 -2.27 114.38 118.04 1n04 h ARG 614 Ca 0.33 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.22 1n04 h ARG 614 Cb 0.27 0.01 -0.27 0.00 0.08 0.00 0.00 29.97 30.06 1n04 h ARG 614 CO -0.22 0.97 -0.87 1.19 -1.07 0.00 0.00 179.97 179.97 1n04 n PHE 615 N -3.41 0.09 -1.19 3.04 3.72 0.16 -0.80 117.46 119.07 1n04 n PHE 615 Ca -0.01 -0.89 -0.04 0.00 -0.05 0.00 0.00 57.45 56.47 1n04 n PHE 615 Cb 0.91 -0.19 0.03 0.00 -0.94 0.00 0.00 39.48 39.29 1n04 n PHE 615 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n04 n GLY 616 N -0.05 -1.08 0.25 1.37 0.00 0.34 -1.72 105.19 104.30 1n04 n GLY 616 Ca 0.11 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.46 1n04 n GLY 616 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n04 h VAL 617 N -1.07 0.73 -2.14 1.61 2.07 -1.85 -3.00 116.25 112.60 1n04 h VAL 617 Ca -0.06 -0.15 -0.56 0.00 0.82 0.00 0.00 66.70 66.75 1n04 h VAL 617 Cb 0.16 0.25 -0.41 0.00 -1.52 0.00 0.00 31.29 29.77 1n04 h VAL 617 CO 0.04 0.08 -0.86 0.59 0.02 0.00 0.00 177.57 177.44 1n04 n ASN 618 N -4.99 2.63 -4.87 0.57 3.02 -1.26 -5.03 115.26 105.34 1n04 n ASN 618 Ca 0.11 -3.29 -0.21 0.00 -0.03 0.00 0.00 54.58 51.16 1n04 n ASN 618 Cb 0.33 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 1n04 n ASN 618 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1n04 s GLY 619 N -2.59 1.83 0.00 7.41 0.00 -1.14 -5.05 107.32 107.77 1n04 s GLY 619 Ca 0.42 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1n04 s GLY 619 CO -0.09 -1.58 0.46 1.44 0.00 0.00 0.00 173.10 173.33 1n04 n SER 620 N -1.43 0.00 -1.89 1.64 7.64 -0.85 -2.53 113.62 116.19 1n04 n SER 620 Ca -0.01 0.46 -0.18 0.00 1.01 0.00 0.00 58.87 60.15 1n04 n SER 620 Cb 0.60 -0.01 0.07 0.00 -1.01 0.00 0.00 64.21 63.85 1n04 n SER 620 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1n04 n GLU 621 N -1.00 1.90 -0.02 1.43 1.02 0.02 -4.59 120.64 119.40 1n04 n GLU 621 Ca 0.00 -1.86 0.23 0.00 -0.02 0.00 0.00 57.16 55.52 1n04 n GLU 621 Cb 0.00 -1.73 0.72 0.00 -0.02 0.00 0.00 31.44 30.41 1n04 n GLU 621 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1n04 h LYS 622 N 1.24 0.00 -0.98 3.49 2.10 -1.44 0.11 116.57 121.09 1n04 h LYS 622 Ca 0.36 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 59.02 1n04 h LYS 622 Cb 1.30 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.58 1n04 h LYS 622 CO 0.83 0.00 0.65 0.66 -2.00 0.00 0.00 179.45 179.59 1n04 h SER 623 N 0.00 1.12 -0.03 7.07 4.64 -1.86 -2.87 113.55 121.62 1n04 h SER 623 Ca 0.29 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.37 1n04 h SER 623 Cb 1.33 -0.28 0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1n04 h SER 623 CO -0.00 0.80 -0.81 0.11 -0.87 0.00 0.00 176.83 176.05 1n04 h LYS 624 N 1.31 0.60 -1.83 4.77 1.57 -1.17 -3.47 116.57 118.35 1n04 h LYS 624 Ca 0.36 -0.61 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1n04 h LYS 624 Cb -0.13 0.16 -0.21 0.00 0.08 0.00 0.00 32.23 32.13 1n04 h LYS 624 CO -0.08 1.22 0.31 0.12 -0.57 0.00 0.00 179.45 180.45 1n04 s PHE 625 N -3.37 -0.58 -0.11 -1.35 5.36 -1.05 -5.08 117.98 111.80 1n04 s PHE 625 Ca -0.11 1.13 -0.00 0.00 -0.96 0.00 0.00 56.93 56.99 1n04 s PHE 625 Cb 0.06 0.39 0.02 0.00 -0.34 0.00 0.00 43.02 43.15 1n04 s PHE 625 CO 0.88 -0.45 -0.09 -1.64 -1.46 0.00 0.00 175.22 172.45 1n04 s MET 626 N -0.73 1.67 0.56 10.12 -1.94 -1.26 -4.09 119.30 123.63 1n04 s MET 626 Ca -0.05 -0.32 0.28 0.00 -1.71 0.00 0.00 55.69 53.89 1n04 s MET 626 Cb -0.02 -1.65 1.63 0.00 2.01 0.00 0.00 34.83 36.80 1n04 s MET 626 CO 0.04 -0.23 2.17 0.52 -0.01 0.00 0.00 175.02 177.51 1n04 h MET 627 N 8.04 0.00 -1.67 2.03 0.00 -1.65 -3.27 114.93 118.42 1n04 h MET 627 Ca -0.31 0.00 -0.63 0.00 0.00 0.00 0.00 59.70 58.76 1n04 h MET 627 Cb 1.14 0.00 -0.39 0.00 0.00 0.00 0.00 31.60 32.35 1n04 h MET 627 CO 0.43 0.05 -0.32 1.19 0.00 0.00 0.00 176.91 178.27 1n04 n PHE 628 N -3.81 3.35 -3.88 -0.22 3.72 -1.26 -4.53 117.46 110.82 1n04 n PHE 628 Ca -0.03 -2.98 -0.11 0.00 -0.05 0.00 0.00 57.45 54.28 1n04 n PHE 628 Cb 0.15 -0.35 -0.12 0.00 -0.94 0.00 0.00 39.48 38.22 1n04 n PHE 628 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1n04 s GLU 629 N -3.66 0.23 0.00 -1.08 2.56 -1.23 -4.55 118.70 110.96 1n04 s GLU 629 Ca 0.49 -0.18 0.00 0.00 0.00 0.00 0.00 54.97 55.28 1n04 s GLU 629 Cb 0.40 0.10 0.00 0.00 2.00 0.00 0.00 34.13 36.62 1n04 s GLU 629 CO -0.24 -0.04 0.37 -1.13 -0.56 0.00 0.00 175.26 173.66 1n04 n SER 630 N 2.34 0.00 -2.80 -1.70 3.41 -1.26 -4.76 113.62 108.85 1n04 n SER 630 Ca -0.17 -0.79 -0.12 0.00 -0.26 0.00 0.00 58.87 57.53 1n04 n SER 630 Cb 0.57 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.59 1n04 n SER 630 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n04 n GLN 631 N 0.00 -4.05 -2.24 4.33 1.13 -1.26 -2.76 117.38 112.54 1n04 n GLN 631 Ca 0.00 0.63 -0.10 0.00 -1.94 0.00 0.00 57.00 55.59 1n04 n GLN 631 Cb 0.39 -4.93 -0.01 0.00 0.11 0.00 0.00 30.24 25.81 1n04 n GLN 631 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1n04 n ASN 632 N -2.63 -3.34 -0.20 1.08 4.13 -1.26 -4.80 115.26 108.24 1n04 n ASN 632 Ca -0.17 0.24 0.02 0.00 1.68 0.00 0.00 54.58 56.35 1n04 n ASN 632 Cb 0.62 -2.92 0.04 0.00 -1.54 0.00 0.00 39.78 35.97 1n04 n ASN 632 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1n04 n LYS 633 N -2.56 1.63 -3.87 3.52 5.02 -1.11 -4.66 118.16 116.13 1n04 n LYS 633 Ca -0.12 -1.32 -0.33 0.00 -2.02 0.00 0.00 58.31 54.52 1n04 n LYS 633 Cb 0.55 -1.09 0.01 0.00 -0.02 0.00 0.00 35.03 34.48 1n04 n LYS 633 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1n04 n ASP 634 N -0.00 -4.73 -4.67 4.39 8.00 -1.26 -4.91 116.55 113.37 1n04 n ASP 634 Ca 0.03 -1.07 -0.41 0.00 0.71 0.00 0.00 54.79 54.06 1n04 n ASP 634 Cb 0.23 -1.92 -0.05 0.00 -0.02 0.00 0.00 41.12 39.36 1n04 n ASP 634 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n04 s LEU 635 N -5.98 4.17 0.00 0.64 1.02 -1.26 -4.43 118.68 112.84 1n04 s LEU 635 Ca 0.22 1.00 0.00 0.00 0.02 0.00 0.00 54.13 55.37 1n04 s LEU 635 Cb -0.12 -3.05 0.00 0.00 0.02 0.00 0.00 46.19 43.05 1n04 s LEU 635 CO 0.92 -0.32 0.00 0.18 0.02 0.00 0.00 176.35 177.15 1n04 n LEU 636 N 5.04 0.00 -4.08 1.79 4.32 -1.26 -4.71 117.00 118.09 1n04 n LEU 636 Ca 0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.93 1n04 n LEU 636 Cb 0.49 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.19 1n04 n LEU 636 CO 0.46 0.00 -0.36 -0.36 -1.22 0.00 0.00 177.39 175.91 1n04 s PHE 637 N 0.00 0.52 -0.00 -1.77 0.08 -1.26 -4.34 117.98 111.21 1n04 s PHE 637 Ca 0.00 -0.99 -0.29 0.00 0.12 0.00 0.00 56.93 55.77 1n04 s PHE 637 Cb 0.00 -0.38 -0.03 0.00 -0.57 0.00 0.00 43.02 42.04 1n04 s PHE 637 CO 0.00 -0.34 0.94 0.15 -0.10 0.00 0.00 175.22 175.87 1n04 s LYS 638 N -3.59 4.55 0.46 0.44 1.02 -1.26 -4.56 119.74 116.79 1n04 s LYS 638 Ca 0.04 1.34 0.31 0.00 0.02 0.00 0.00 55.97 57.69 1n04 s LYS 638 Cb 0.05 -3.45 1.40 0.00 -0.52 0.00 0.00 37.83 35.31 1n04 s LYS 638 CO -0.08 -0.01 1.70 -0.44 -0.92 0.00 0.00 175.35 175.59 1n04 h ASP 639 N 6.71 0.22 0.18 2.83 3.32 -1.90 0.55 116.42 128.32 1n04 h ASP 639 Ca -0.41 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1n04 h ASP 639 Cb 1.22 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1n04 h ASP 639 CO 0.75 -0.05 -0.03 0.25 -1.72 0.00 0.00 179.24 178.44 1n04 h LEU 640 N 0.14 0.00 -9.34 1.55 6.46 -1.91 -3.45 115.31 108.76 1n04 h LEU 640 Ca 0.72 0.00 -0.63 0.00 -0.12 0.00 0.00 57.88 57.85 1n04 h LEU 640 Cb 2.36 0.00 0.04 0.00 -0.73 0.00 0.00 40.66 42.33 1n04 h LEU 640 CO -0.25 0.03 0.85 0.41 -0.62 0.00 0.00 178.44 178.86 1n04 n THR 641 N -3.49 0.23 -0.09 1.05 -1.04 0.19 -4.57 114.28 106.57 1n04 n THR 641 Ca -0.02 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.05 61.85 1n04 n THR 641 Cb 0.14 -1.47 -0.16 0.00 -1.82 0.00 0.00 70.33 67.02 1n04 n THR 641 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1n04 n LYS 642 N 4.54 0.68 -2.78 -2.82 4.01 0.18 -4.88 118.16 117.10 1n04 n LYS 642 Ca 0.20 0.02 -0.02 0.00 -0.51 0.00 0.00 58.31 58.00 1n04 n LYS 642 Cb 0.25 -1.55 0.01 0.00 -0.51 0.00 0.00 35.03 33.23 1n04 n LYS 642 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1n04 s LEU 644 N 0.00 1.71 0.02 0.00 2.96 -1.26 -1.87 118.68 120.24 1n04 s LEU 644 Ca 0.13 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1n04 s LEU 644 Cb -0.02 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 1n04 s LEU 644 CO 0.03 0.06 -0.14 0.72 -1.32 0.00 0.00 176.35 175.70 1n04 s PHE 645 N 0.40 2.68 -0.03 5.38 -0.12 0.71 -4.84 117.98 122.17 1n04 s PHE 645 Ca -0.08 -0.18 -0.30 0.00 -0.05 0.00 0.00 56.93 56.32 1n04 s PHE 645 Cb -0.12 -1.53 -0.04 0.00 -0.63 0.00 0.00 43.02 40.70 1n04 s PHE 645 CO 0.02 0.29 1.18 -1.59 -0.05 0.00 0.00 175.22 175.06 1n04 s LYS 646 N -1.37 4.39 -0.28 1.99 0.00 -1.26 -0.95 119.74 122.25 1n04 s LYS 646 Ca 0.15 1.67 -0.25 0.00 0.00 0.00 0.00 55.97 57.54 1n04 s LYS 646 Cb -0.11 -3.50 0.00 0.00 0.00 0.00 0.00 37.83 34.22 1n04 s LYS 646 CO 0.06 -0.37 0.87 0.08 0.00 0.00 0.00 175.35 175.98 1n04 s VAL 647 N 1.87 4.75 0.04 1.79 1.01 -0.36 -4.95 120.40 124.55 1n04 s VAL 647 Ca 0.56 1.46 -0.36 0.00 0.00 0.00 0.00 61.98 63.64 1n04 s VAL 647 Cb -0.25 -4.19 -0.19 0.00 0.00 0.00 0.00 36.38 31.75 1n04 s VAL 647 CO 0.24 -0.23 0.93 -1.14 0.00 0.00 0.00 175.10 174.90 1n04 n ARG 648 N 6.26 0.00 -1.55 2.72 0.63 -1.26 -4.77 116.66 118.69 1n04 n ARG 648 Ca 0.06 0.00 -0.48 0.00 -0.92 0.00 0.00 57.85 56.52 1n04 n ARG 648 Cb 0.48 -1.35 -0.03 0.00 0.45 0.00 0.00 32.46 32.00 1n04 n ARG 648 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1n04 n GLU 649 N 1.35 0.99 -0.64 -0.14 4.07 -1.26 -2.14 120.64 122.86 1n04 n GLU 649 Ca 0.19 0.35 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 1n04 n GLU 649 Cb 0.11 -1.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.77 1n04 n GLU 649 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n04 n GLY 650 N 1.71 0.77 3.67 8.31 0.00 -1.26 -5.03 105.19 113.36 1n04 n GLY 650 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1n04 n GLY 650 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n04 s THR 651 N -2.82 4.21 0.56 2.61 2.01 -0.91 -5.02 115.64 116.28 1n04 s THR 651 Ca 0.00 1.49 -0.13 0.00 0.31 0.00 0.00 61.69 63.36 1n04 s THR 651 Cb 0.00 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 1n04 s THR 651 CO 0.00 -0.09 0.99 0.42 -0.69 0.00 0.00 174.62 175.25 1n04 s THR 652 N 3.10 4.65 0.20 -0.82 -4.23 -1.26 -4.50 115.64 112.77 1n04 s THR 652 Ca 0.56 0.99 -0.11 0.00 -1.18 0.00 0.00 61.69 61.95 1n04 s THR 652 Cb -0.24 -3.80 0.12 0.00 1.34 0.00 0.00 72.50 69.92 1n04 s THR 652 CO 0.18 -0.92 1.77 0.10 -0.54 0.00 0.00 174.62 175.21 1n04 h TYR 653 N 0.29 0.45 -0.90 3.99 -0.00 -1.94 -1.63 116.97 117.23 1n04 h TYR 653 Ca -0.45 0.03 0.11 0.00 -0.00 0.00 0.00 58.73 58.41 1n04 h TYR 653 Cb 1.19 -0.12 -0.07 0.00 -0.00 0.00 0.00 36.73 37.73 1n04 h TYR 653 CO 0.65 0.17 0.58 -0.22 -0.00 0.00 0.00 178.16 179.34 1n04 h LYS 654 N 0.47 0.84 0.00 0.10 3.64 -1.96 0.96 116.57 120.62 1n04 h LYS 654 Ca 0.27 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 1n04 h LYS 654 Cb 0.26 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1n04 h LYS 654 CO -0.23 0.55 -0.27 0.93 -2.27 0.00 0.00 179.45 178.16 1n04 h GLU 655 N 0.86 0.00 0.00 1.90 5.08 -1.67 -2.96 114.58 117.79 1n04 h GLU 655 Ca 0.43 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1n04 h GLU 655 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1n04 h GLU 655 CO -0.19 0.27 -0.00 0.35 -1.00 0.00 0.00 179.01 178.43 1n04 h PHE 656 N 0.00 -0.00 0.00 4.33 3.57 -0.46 -3.30 116.94 121.08 1n04 h PHE 656 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1n04 h PHE 656 Cb 0.78 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1n04 h PHE 656 CO 0.00 0.41 0.13 1.28 -2.23 0.00 0.00 178.31 177.90 1n04 n LEU 657 N -4.71 0.34 -0.42 0.59 4.77 -0.05 -4.91 117.00 112.60 1n04 n LEU 657 Ca -0.04 0.60 0.01 0.00 -0.03 0.00 0.00 56.01 56.55 1n04 n LEU 657 Cb 0.20 -0.61 -0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1n04 n LEU 657 CO 0.14 -0.72 -0.14 0.61 -1.33 0.00 0.00 177.39 175.96 1n04 n GLY 658 N -1.32 -3.10 0.22 -0.72 0.00 -1.12 -3.97 105.19 95.18 1n04 n GLY 658 Ca -0.01 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 1n04 n GLY 658 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1n04 h ASP 659 N -0.01 -0.40 -0.87 1.61 3.58 -1.89 0.15 116.42 118.58 1n04 h ASP 659 Ca -0.01 -0.15 0.21 0.00 0.42 0.00 0.00 57.03 57.50 1n04 h ASP 659 Cb 0.27 0.10 -0.16 0.00 1.72 0.00 0.00 39.33 41.27 1n04 h ASP 659 CO 0.00 0.01 -0.00 0.11 -2.88 0.00 0.00 179.24 176.48 1n04 h LYS 660 N -0.91 0.06 0.15 0.28 6.56 -1.98 0.28 116.57 121.02 1n04 h LYS 660 Ca -0.05 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 1n04 h LYS 660 Cb 0.53 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1n04 h LYS 660 CO 0.08 0.04 -0.07 0.35 -2.06 0.00 0.00 179.45 177.79 1n04 h PHE 661 N 0.06 -0.19 -1.00 -1.35 3.57 -1.74 -3.27 116.94 113.02 1n04 h PHE 661 Ca 0.49 -0.00 0.38 0.00 3.53 0.00 0.00 57.97 62.37 1n04 h PHE 661 Cb 0.92 0.06 -0.18 0.00 2.79 0.00 0.00 35.95 39.55 1n04 h PHE 661 CO -0.48 0.25 0.39 -0.92 -2.23 0.00 0.00 178.31 175.32 1n04 h TYR 662 N -0.87 0.57 -0.44 0.41 3.20 0.62 0.72 116.97 121.18 1n04 h TYR 662 Ca -0.02 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1n04 h TYR 662 Cb 0.52 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1n04 h TYR 662 CO 0.09 -0.47 0.13 1.15 -1.64 0.00 0.00 178.16 177.42 1n04 h THR 663 N 0.00 1.19 -0.34 1.81 2.02 -1.05 -2.56 112.91 113.98 1n04 h THR 663 Ca 0.78 -0.64 -0.13 0.00 0.77 0.00 0.00 66.41 67.18 1n04 h THR 663 Cb 1.96 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1n04 h THR 663 CO -0.82 0.24 -0.30 0.58 0.37 0.00 0.00 175.52 175.60 1n04 h VAL 664 N 0.64 1.29 -0.19 3.16 2.07 0.40 -3.25 116.25 120.36 1n04 h VAL 664 Ca 0.15 -1.46 -0.09 0.00 0.82 0.00 0.00 66.70 66.12 1n04 h VAL 664 Cb 0.21 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1n04 h VAL 664 CO -0.01 0.48 -0.23 0.40 0.02 0.00 0.00 177.57 178.23 1n04 h ILE 665 N 0.58 1.34 0.00 4.57 2.04 -1.43 -1.71 117.51 122.90 1n04 h ILE 665 Ca 0.06 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1n04 h ILE 665 Cb 0.87 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1n04 h ILE 665 CO 0.08 0.43 0.00 -1.20 0.00 0.00 0.00 178.15 177.46 1n04 n SER 666 N -4.42 0.00 0.23 1.72 7.64 -0.97 0.15 113.62 117.96 1n04 n SER 666 Ca -0.06 0.81 -0.16 0.00 1.01 0.00 0.00 58.87 60.47 1n04 n SER 666 Cb 0.43 -0.31 -0.09 0.00 -1.01 0.00 0.00 64.21 63.23 1n04 n SER 666 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1n04 h SER 667 N 0.00 -1.23 -0.71 6.43 4.64 -1.69 -2.47 113.55 118.52 1n04 h SER 667 Ca 0.00 0.11 0.14 0.00 -0.47 0.00 0.00 61.79 61.57 1n04 h SER 667 Cb 0.00 0.42 -0.13 0.00 -0.31 0.00 0.00 62.40 62.38 1n04 h SER 667 CO 0.00 -0.57 -0.25 0.25 -0.87 0.00 0.00 176.83 175.39 1n04 h LEU 668 N -0.84 -0.89 0.00 5.97 7.12 -1.17 1.15 115.31 126.65 1n04 h LEU 668 Ca -0.03 0.23 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1n04 h LEU 668 Cb 0.76 0.52 0.00 0.00 -0.53 0.00 0.00 40.66 41.41 1n04 h LEU 668 CO -0.11 -0.27 0.00 0.29 -0.13 0.00 0.00 178.44 178.22 1n04 n LYS 669 N -5.47 0.01 0.20 1.25 4.76 0.39 -1.23 118.16 118.07 1n04 n LYS 669 Ca 0.08 0.40 0.10 0.00 -2.87 0.00 0.00 58.31 56.02 1n04 n LYS 669 Cb 0.37 -1.50 0.14 0.00 -1.84 0.00 0.00 35.03 32.20 1n04 n LYS 669 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1n04 h THR 670 N 0.00 0.19 -0.72 -0.18 2.02 0.18 -3.15 112.91 111.25 1n04 h THR 670 Ca 0.00 -1.26 0.05 0.00 0.77 0.00 0.00 66.41 65.97 1n04 h THR 670 Cb 0.07 2.09 -0.05 0.00 -1.74 0.00 0.00 68.15 68.51 1n04 h THR 670 CO 0.00 0.11 0.43 0.00 0.37 0.00 0.00 175.52 176.42 1n04 s ASN 672 N -5.67 -1.30 0.35 0.00 3.04 -1.25 -5.09 114.94 105.02 1n04 s ASN 672 Ca -0.13 -1.54 -0.28 0.00 0.04 0.00 0.00 52.86 50.96 1n04 s ASN 672 Cb 0.16 1.70 -0.12 0.00 -1.54 0.00 0.00 41.25 41.46 1n04 s ASN 672 CO 0.77 -0.05 1.30 -2.65 -3.04 0.00 0.00 177.10 173.43 1n04 n PRO 673 N 2.93 2.15 -1.63 0.43 -0.02 -1.19 -5.00 135.00 132.67 1n04 n PRO 673 Ca 0.17 0.75 -0.30 0.00 -2.02 0.00 0.00 63.50 62.10 1n04 n PRO 673 Cb 0.57 -2.36 0.08 0.00 -0.02 0.00 0.00 33.50 31.78 1n04 n PRO 673 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n04 s SER 674 N -0.32 4.72 0.12 2.55 1.04 -1.26 -4.91 113.70 115.64 1n04 s SER 674 Ca 0.56 1.27 -0.28 0.00 0.48 0.00 0.00 55.95 57.98 1n04 s SER 674 Cb -0.56 -2.02 -0.08 0.00 0.10 0.00 0.00 66.02 63.46 1n04 s SER 674 CO 0.62 -1.82 1.61 0.44 0.98 0.00 0.00 173.24 175.07 1n04 h ASP 675 N -0.99 -0.98 -0.84 7.02 3.32 -2.01 -2.27 116.42 119.67 1n04 h ASP 675 Ca -0.46 0.12 0.12 0.00 0.02 0.00 0.00 57.03 56.82 1n04 h ASP 675 Cb 1.26 0.38 -0.06 0.00 0.22 0.00 0.00 39.33 41.13 1n04 h ASP 675 CO 0.60 -0.42 0.55 -0.29 -1.72 0.00 0.00 179.24 177.96 1n04 h ILE 676 N -0.54 0.88 0.00 0.35 2.10 -1.99 -1.28 117.51 117.03 1n04 h ILE 676 Ca 0.04 -0.24 -0.04 0.00 1.08 0.00 0.00 64.86 65.70 1n04 h ILE 676 Cb 0.59 0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 36.44 1n04 h ILE 676 CO -0.22 0.13 -0.19 0.25 -1.08 0.00 0.00 178.15 177.04 1n04 h LEU 677 N 0.69 0.00 0.19 2.19 5.85 -1.78 -2.02 115.31 120.44 1n04 h LEU 677 Ca 0.41 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.81 1n04 h LEU 677 Cb 0.61 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.66 1n04 h LEU 677 CO -0.17 0.19 -1.47 1.56 -0.34 0.00 0.00 178.44 178.21 1n04 h GLN 678 N 0.00 0.40 -0.25 1.25 4.20 -0.98 -2.88 115.11 116.85 1n04 h GLN 678 Ca -0.00 -0.69 -0.08 0.00 0.06 0.00 0.00 58.65 57.94 1n04 h GLN 678 Cb 0.53 0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 1n04 h GLN 678 CO 0.03 1.31 -0.19 1.98 -0.67 0.00 0.00 178.83 181.28 1n04 h MET 679 N 0.11 0.45 0.11 1.46 4.05 -1.19 -1.47 114.93 118.45 1n04 h MET 679 Ca -0.24 -0.15 -0.16 0.00 -0.28 0.00 0.00 59.70 58.87 1n04 h MET 679 Cb 2.09 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 32.86 1n04 h MET 679 CO 0.23 0.63 -0.74 0.00 0.23 0.00 0.00 176.91 177.25 1n04 h SER 681 N -0.49 0.64 -0.70 0.00 0.87 -1.50 0.91 113.55 113.27 1n04 h SER 681 Ca -0.14 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 1n04 h SER 681 Cb 1.54 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 1n04 h SER 681 CO 0.11 0.35 0.24 0.15 -0.53 0.00 0.00 176.83 177.15 1n04 h PHE 682 N 0.69 1.12 0.20 2.24 3.57 -1.29 -3.20 116.94 120.27 1n04 h PHE 682 Ca 0.40 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1n04 h PHE 682 Cb 0.60 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1n04 h PHE 682 CO -0.00 0.88 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.79 1n04 h LEU 683 N 1.05 -0.23 -6.40 0.59 3.38 0.06 -3.34 115.31 110.41 1n04 h LEU 683 Ca 0.23 -0.23 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 1n04 h LEU 683 Cb 0.27 0.06 0.07 0.00 0.09 0.00 0.00 40.66 41.15 1n04 h LEU 683 CO -0.01 0.30 1.57 1.21 0.09 0.00 0.00 178.44 181.60 1n04 n GLU 684 N -4.95 0.52 0.00 1.13 2.13 0.27 -4.73 120.64 115.01 1n04 n GLU 684 Ca -0.07 -1.05 0.00 0.00 0.66 0.00 0.00 57.16 56.71 1n04 n GLU 684 Cb 0.23 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.53 1n04 n GLU 684 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n04 n GLY 685 N 4.45 0.98 0.15 8.31 0.00 -1.25 -4.84 105.19 112.99 1n04 n GLY 685 Ca 0.32 -0.72 0.15 0.00 0.00 0.00 0.00 46.02 45.78 1n04 n GLY 685 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90