#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtp n PRO 2 N 0.00 2.19 -3.62 1.61 -0.04 -1.26 -4.99 135.00 128.89 1xtp n PRO 2 Ca 0.00 0.78 -0.15 0.00 -0.04 0.00 0.00 63.50 64.10 1xtp n PRO 2 Cb 0.00 -2.61 -0.07 0.00 -0.04 0.00 0.00 33.50 30.77 1xtp n PRO 2 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1xtp s GLY 3 N -0.50 -0.51 0.00 0.55 0.00 -1.26 -5.30 107.32 100.30 1xtp s GLY 3 Ca 0.62 1.71 0.00 0.00 0.00 0.00 0.00 44.72 47.05 1xtp s GLY 3 CO 0.57 1.43 0.00 1.44 0.00 0.00 0.00 173.10 176.54 1xtp n SER 4 N 2.28 0.00 -0.07 1.64 7.64 -1.26 -5.39 113.62 118.46 1xtp n SER 4 Ca -0.15 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.65 1xtp n SER 4 Cb 0.56 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.65 1xtp n SER 4 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1xtp n PRO 6 N 0.00 1.56 0.00 1.43 -0.02 -1.26 -5.25 135.00 131.46 1xtp n PRO 6 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1xtp n PRO 6 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1xtp n PRO 6 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1xtp n ARG 13 N -2.58 0.00 -2.56 -0.52 1.74 -1.26 -5.36 116.66 106.12 1xtp n ARG 13 Ca -0.24 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.63 1xtp n ARG 13 Cb 0.93 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.38 1xtp n ARG 13 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xtp n ASN 14 N 0.00 3.72 -4.78 0.55 5.15 -1.26 -5.09 115.26 113.55 1xtp n ASN 14 Ca 0.00 -3.42 -0.34 0.00 -0.60 0.00 0.00 54.58 50.21 1xtp n ASN 14 Cb 0.00 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 1xtp n ASN 14 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1xtp s LEU 15 N -3.40 3.69 0.36 1.20 1.43 -1.26 -4.97 118.68 115.74 1xtp s LEU 15 Ca 0.42 2.06 -0.28 0.00 -1.03 0.00 0.00 54.13 55.30 1xtp s LEU 15 Cb 0.41 -4.57 -0.12 0.00 0.03 0.00 0.00 46.19 41.95 1xtp s LEU 15 CO -0.12 -1.17 1.41 -2.65 0.23 0.00 0.00 176.35 174.04 1xtp n PRO 16 N -1.46 2.46 -3.46 1.29 -0.02 -1.26 -4.97 135.00 127.58 1xtp n PRO 16 Ca 0.11 0.86 -0.40 0.00 -2.02 0.00 0.00 63.50 62.05 1xtp n PRO 16 Cb 0.52 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 1xtp n PRO 16 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xtp s ILE 17 N -1.11 5.22 0.74 4.25 1.01 -1.26 -4.97 121.20 125.08 1xtp s ILE 17 Ca 0.54 0.11 -0.03 0.00 0.00 0.00 0.00 60.65 61.27 1xtp s ILE 17 Cb -0.51 -3.72 0.13 0.00 0.01 0.00 0.00 42.46 38.36 1xtp s ILE 17 CO 0.63 0.03 1.03 -0.94 0.00 0.00 0.00 174.94 175.69 1xtp s SER 18 N 1.72 4.24 0.00 3.58 1.04 -1.24 -1.68 113.70 121.36 1xtp s SER 18 Ca 0.10 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1xtp s SER 18 Cb -0.16 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1xtp s SER 18 CO 0.11 -1.94 0.00 0.61 0.98 0.00 0.00 173.24 173.00 1xtp n GLY 19 N -2.94 -0.59 3.76 7.32 0.00 -0.95 -2.17 105.19 109.62 1xtp n GLY 19 Ca 0.14 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 1xtp n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xtp s ARG 20 N -0.40 1.51 0.49 1.61 1.70 -0.89 -0.41 118.95 122.56 1xtp s ARG 20 Ca 0.00 -0.79 0.07 0.00 -0.47 0.00 0.00 55.73 54.54 1xtp s ARG 20 Cb 0.00 0.54 0.02 0.00 -0.57 0.00 0.00 34.95 34.94 1xtp s ARG 20 CO 0.00 -0.69 0.49 0.16 -1.08 0.00 0.00 175.30 174.18 1xtp s ASP 21 N -2.88 4.97 0.20 -2.89 1.47 0.32 -0.95 116.67 116.90 1xtp s ASP 21 Ca 0.10 -0.91 0.23 0.00 1.18 0.00 0.00 52.55 53.16 1xtp s ASP 21 Cb -0.04 -0.07 0.91 0.00 -0.34 0.00 0.00 42.92 43.38 1xtp s ASP 21 CO 0.02 -0.95 1.71 0.35 0.68 0.00 0.00 175.17 176.98 1xtp n THR 22 N -1.79 0.74 0.52 2.11 -2.24 -0.22 -1.51 114.28 111.90 1xtp n THR 22 Ca 0.05 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 1xtp n THR 22 Cb 0.62 -0.96 0.26 0.00 -2.10 0.00 0.00 70.33 68.16 1xtp n THR 22 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xtp h ASN 23 N 0.00 0.00 0.00 3.42 2.35 -1.96 -3.48 115.58 115.91 1xtp h ASN 23 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1xtp h ASN 23 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1xtp h ASN 23 CO 0.00 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 1xtp n GLY 24 N 1.28 1.02 3.75 2.83 0.00 -0.57 -5.09 105.19 108.41 1xtp n GLY 24 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1xtp n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xtp s LYS 25 N -0.66 4.46 0.22 1.61 2.20 -1.26 -4.81 119.74 121.50 1xtp s LYS 25 Ca 0.00 1.97 0.10 0.00 -0.36 0.00 0.00 55.97 57.68 1xtp s LYS 25 Cb 0.00 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1xtp s LYS 25 CO 0.00 -0.10 -0.09 0.95 -0.36 0.00 0.00 175.35 175.75 1xtp s THR 26 N -0.37 3.15 -0.00 3.43 -4.23 -1.26 -0.52 115.64 115.84 1xtp s THR 26 Ca 0.52 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 1xtp s THR 26 Cb -0.35 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 70.87 1xtp s THR 26 CO 0.40 -0.23 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.86 1xtp s TYR 27 N -2.00 0.78 0.24 3.99 2.02 0.46 -4.94 117.35 117.90 1xtp s TYR 27 Ca 0.27 -0.18 0.12 0.00 -0.37 0.00 0.00 57.07 56.91 1xtp s TYR 27 Cb -0.08 -0.50 0.37 0.00 -0.40 0.00 0.00 41.96 41.36 1xtp s TYR 27 CO 0.16 -0.01 1.61 0.07 -1.57 0.00 0.00 175.55 175.81 1xtp h ARG 28 N 5.78 0.00 -3.33 -0.62 0.11 -1.90 -2.53 114.38 111.89 1xtp h ARG 28 Ca -0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.75 1xtp h ARG 28 Cb 1.18 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.17 1xtp h ARG 28 CO 0.49 0.60 0.03 -1.54 0.10 0.00 0.00 179.97 179.65 1xtp s SER 29 N -6.77 -0.22 0.21 0.08 1.04 -1.25 -3.67 113.70 103.12 1xtp s SER 29 Ca -0.01 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1xtp s SER 29 Cb 0.12 0.60 0.18 0.00 0.10 0.00 0.00 66.02 67.03 1xtp s SER 29 CO 0.75 -1.11 1.53 0.71 0.98 0.00 0.00 173.24 176.10 1xtp h THR 30 N 2.18 1.35 -0.79 2.02 1.35 -1.67 -3.10 112.91 114.25 1xtp h THR 30 Ca -0.27 -1.86 0.03 0.00 -0.55 0.00 0.00 66.41 63.75 1xtp h THR 30 Cb 1.26 1.87 -0.05 0.00 -1.73 0.00 0.00 68.15 69.50 1xtp h THR 30 CO 0.35 0.57 0.51 0.44 -0.25 0.00 0.00 175.52 177.13 1xtp h ASP 31 N 0.31 0.85 0.00 5.36 3.32 -1.96 -0.21 116.42 124.08 1xtp h ASP 31 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xtp h ASP 31 Cb 1.09 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1xtp h ASP 31 CO 0.10 0.59 0.00 1.21 -1.72 0.00 0.00 179.24 179.42 1xtp n GLU 32 N -4.58 0.17 0.00 3.56 2.13 -1.17 -2.78 120.64 117.97 1xtp n GLU 32 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1xtp n GLU 32 Cb 0.07 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.64 1xtp n GLU 32 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1xtp n TRP 34 N 0.49 0.00 0.10 4.31 5.03 -0.09 -2.52 117.44 124.76 1xtp n TRP 34 Ca 0.00 0.00 0.01 0.00 3.03 0.00 0.00 57.50 60.54 1xtp n TRP 34 Cb 0.05 0.00 0.33 0.00 -1.03 0.00 0.00 31.31 30.66 1xtp n TRP 34 CO 0.00 0.00 0.00 0.87 -0.03 0.00 0.00 177.69 178.53 1xtp h LYS 35 N 0.00 0.28 0.14 -0.99 1.57 -1.77 -1.06 116.57 114.73 1xtp h LYS 35 Ca 0.00 -0.08 -0.31 0.00 -1.87 0.00 0.00 60.65 58.39 1xtp h LYS 35 Cb 0.00 -0.03 0.03 0.00 0.08 0.00 0.00 32.23 32.31 1xtp h LYS 35 CO 0.00 0.47 -1.28 0.00 -0.57 0.00 0.00 179.45 178.07 1xtp h ALA 36 N 1.55 -0.04 0.00 3.86 0.00 -1.79 -3.39 119.26 119.45 1xtp h ALA 36 Ca 0.05 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 1xtp h ALA 36 Cb 0.50 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1xtp h ALA 36 CO 0.03 0.68 -1.14 0.39 0.00 0.00 0.00 179.25 179.22 1xtp n GLU 37 N -3.79 0.61 -1.73 0.00 -0.58 -1.18 -4.40 120.64 109.58 1xtp n GLU 37 Ca -0.14 0.08 -0.33 0.00 -0.42 0.00 0.00 57.16 56.35 1xtp n GLU 37 Cb 1.00 -1.79 0.05 0.00 -0.57 0.00 0.00 31.44 30.14 1xtp n GLU 37 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1xtp n LEU 38 N -2.62 6.80 -4.88 -4.62 4.77 -0.41 -4.34 117.00 111.70 1xtp n LEU 38 Ca -0.01 -4.61 -0.30 0.00 -0.03 0.00 0.00 56.01 51.06 1xtp n LEU 38 Cb 0.55 -0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1xtp n LEU 38 CO 0.41 1.75 0.35 0.42 -1.33 0.00 0.00 177.39 178.99 1xtp s THR 39 N -4.92 4.85 0.00 -5.08 -4.23 -1.26 -4.96 115.64 100.03 1xtp s THR 39 Ca 0.57 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1xtp s THR 39 Cb 0.46 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1xtp s THR 39 CO -0.11 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 1xtp n GLY 40 N -0.94 0.21 3.62 3.99 0.00 -1.26 -4.48 105.19 106.33 1xtp n GLY 40 Ca 0.01 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1xtp n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xtp s ASP 41 N -4.00 6.49 0.63 1.61 2.15 -1.26 -4.89 116.67 117.40 1xtp s ASP 41 Ca 0.00 1.16 0.39 0.00 0.43 0.00 0.00 52.55 54.54 1xtp s ASP 41 Cb 0.00 -2.54 2.15 0.00 -0.30 0.00 0.00 42.92 42.23 1xtp s ASP 41 CO 0.00 -1.24 2.30 -0.07 -0.17 0.00 0.00 175.17 175.99 1xtp h LEU 42 N 11.52 0.00 -2.35 -1.34 3.38 -1.93 -1.35 115.31 123.25 1xtp h LEU 42 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1xtp h LEU 42 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1xtp h LEU 42 CO 1.04 0.01 0.00 -1.22 0.09 0.00 0.00 178.44 178.36 1xtp n TYR 43 N -3.30 0.56 -1.89 1.13 4.01 -1.26 -0.29 117.16 116.13 1xtp n TYR 43 Ca -0.03 -0.28 -0.42 0.00 -0.16 0.00 0.00 57.90 57.01 1xtp n TYR 43 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1xtp n TYR 43 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1xtp s ASP 44 N -1.43 6.56 0.56 7.72 -1.08 -0.51 -4.32 116.67 124.18 1xtp s ASP 44 Ca 0.40 2.59 0.33 0.00 -0.52 0.00 0.00 52.55 55.35 1xtp s ASP 44 Cb 0.23 -2.58 1.62 0.00 -1.46 0.00 0.00 42.92 40.73 1xtp s ASP 44 CO 0.32 -0.89 2.10 1.55 0.52 0.00 0.00 175.17 178.77 1xtp h PRO 45 N 7.79 0.00 0.00 4.34 0.13 -1.89 0.21 132.00 142.58 1xtp h PRO 45 Ca -0.43 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.54 1xtp h PRO 45 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1xtp h PRO 45 CO 0.93 0.06 -1.92 0.39 -0.23 0.00 0.00 178.00 177.23 1xtp n GLU 46 N -3.32 1.04 0.00 0.86 1.02 -1.26 -3.61 120.64 115.37 1xtp n GLU 46 Ca -0.01 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1xtp n GLU 46 Cb 0.23 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1xtp n GLU 46 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xtp n LYS 47 N -2.35 6.76 -3.78 3.49 5.02 -1.18 -4.93 118.16 121.19 1xtp n LYS 47 Ca -0.15 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.78 1xtp n LYS 47 Cb 0.75 -0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 35.19 1xtp n LYS 47 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1xtp s GLY 48 N -0.99 2.11 0.18 0.72 0.00 0.73 -4.84 107.32 105.22 1xtp s GLY 48 Ca 0.00 -0.64 -0.19 0.00 0.00 0.00 0.00 44.72 43.89 1xtp s GLY 48 CO 0.00 -0.08 1.62 -0.25 0.00 0.00 0.00 173.10 174.39 1xtp h TRP 49 N 5.86 -0.62 0.00 1.90 2.91 -1.68 0.17 115.95 124.49 1xtp h TRP 49 Ca -0.48 0.05 -0.16 0.00 1.13 0.00 0.00 58.89 59.43 1xtp h TRP 49 Cb 1.19 0.34 0.01 0.00 -0.51 0.00 0.00 29.16 30.20 1xtp h TRP 49 CO 0.67 -0.32 -0.64 1.88 -1.03 0.00 0.00 178.44 179.00 1xtp h TYR 50 N -0.14 0.64 -0.98 2.65 0.05 -1.40 -3.32 116.97 114.46 1xtp h TYR 50 Ca 0.21 -0.35 0.03 0.00 0.05 0.00 0.00 58.73 58.68 1xtp h TYR 50 Cb 0.48 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 38.09 1xtp h TYR 50 CO -0.50 1.17 0.64 0.78 -1.05 0.00 0.00 178.16 179.21 1xtp h GLY 51 N -0.08 1.43 1.83 3.88 0.00 -0.29 -1.74 103.07 108.10 1xtp h GLY 51 Ca -0.08 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 1xtp h GLY 51 CO 0.13 0.42 -0.13 0.50 0.00 0.00 0.00 176.54 177.45 1xtp h LYS 52 N 1.24 0.21 -0.04 4.80 1.57 -0.71 -0.32 116.57 123.33 1xtp h LYS 52 Ca 0.39 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.94 1xtp h LYS 52 Cb -0.01 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.29 1xtp h LYS 52 CO -0.12 0.36 -0.68 0.00 -0.57 0.00 0.00 179.45 178.44 1xtp h ALA 53 N 1.66 0.13 -0.52 3.86 0.00 -1.44 -0.94 119.26 122.01 1xtp h ALA 53 Ca 0.04 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1xtp h ALA 53 Cb 0.37 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xtp h ALA 53 CO 0.02 0.45 0.04 -0.07 0.00 0.00 0.00 179.25 179.68 1xtp h LEU 54 N 0.09 0.82 -0.64 0.00 3.38 -1.28 -1.22 115.31 116.47 1xtp h LEU 54 Ca -0.07 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 1xtp h LEU 54 Cb 1.35 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1xtp h LEU 54 CO 0.13 0.87 -0.35 -0.08 0.09 0.00 0.00 178.44 179.10 1xtp h GLU 55 N 0.81 0.68 -0.49 1.13 4.57 -1.04 -2.02 114.58 118.22 1xtp h GLU 55 Ca 0.16 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1xtp h GLU 55 Cb 0.43 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1xtp h GLU 55 CO 0.02 0.93 0.28 -0.92 -1.18 0.00 0.00 179.01 178.13 1xtp h TYR 56 N 0.57 0.65 0.00 0.92 3.20 -0.77 -3.01 116.97 118.54 1xtp h TYR 56 Ca 0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1xtp h TYR 56 Cb 0.87 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1xtp h TYR 56 CO 0.04 0.47 0.00 -1.49 -1.64 0.00 0.00 178.16 175.54 1xtp h TRP 57 N 0.64 0.00 -0.88 -3.82 4.06 -1.06 -3.18 115.95 111.72 1xtp h TRP 57 Ca 0.17 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.22 1xtp h TRP 57 Cb 0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.12 1xtp h TRP 57 CO -0.02 0.00 0.57 -0.09 -3.56 0.00 0.00 178.44 175.33 1xtp h ARG 58 N 0.00 0.83 -0.53 0.49 2.43 -1.22 -2.12 114.38 114.27 1xtp h ARG 58 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1xtp h ARG 58 Cb 0.70 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1xtp h ARG 58 CO 0.00 0.55 0.00 0.25 -1.51 0.00 0.00 179.97 179.26 1xtp n THR 59 N -4.53 0.80 -2.61 0.20 -2.24 -1.20 -4.94 114.28 99.76 1xtp n THR 59 Ca 0.15 -0.90 -0.42 0.00 -2.27 0.00 0.00 64.05 60.61 1xtp n THR 59 Cb 0.32 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 1xtp n THR 59 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1xtp s VAL 60 N -1.15 4.53 0.42 2.28 1.01 -0.80 -4.99 120.40 121.70 1xtp s VAL 60 Ca 0.40 1.85 -0.25 0.00 0.00 0.00 0.00 61.98 63.98 1xtp s VAL 60 Cb 0.22 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1xtp s VAL 60 CO 0.29 0.17 1.21 -2.65 0.00 0.00 0.00 175.10 174.11 1xtp n PRO 61 N 3.73 1.78 -1.94 2.72 -0.02 -1.26 -4.85 135.00 135.15 1xtp n PRO 61 Ca 0.06 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 1xtp n PRO 61 Cb 0.49 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1xtp n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xtp n ALA 62 N -0.27 5.73 -2.17 3.55 0.00 -1.26 -4.31 120.51 121.77 1xtp n ALA 62 Ca 0.07 -4.03 -0.11 0.00 0.00 0.00 0.00 53.44 49.38 1xtp n ALA 62 Cb 0.39 -3.27 -0.10 0.00 0.00 0.00 0.00 19.45 16.47 1xtp n ALA 62 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xtp s THR 63 N 1.78 0.44 0.30 0.00 -4.23 -1.26 -5.00 115.64 107.67 1xtp s THR 63 Ca 0.46 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1xtp s THR 63 Cb 0.13 -1.91 0.27 0.00 1.34 0.00 0.00 72.50 72.33 1xtp s THR 63 CO -0.05 -0.64 1.94 0.58 -0.54 0.00 0.00 174.62 175.90 1xtp h VAL 64 N 2.87 1.11 -0.85 2.29 2.07 -1.99 -0.72 116.25 121.04 1xtp h VAL 64 Ca -0.35 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1xtp h VAL 64 Cb 1.18 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1xtp h VAL 64 CO 0.63 0.19 0.42 -1.28 0.02 0.00 0.00 177.57 177.55 1xtp h SER 65 N 1.04 1.09 -0.45 0.57 0.87 -1.94 -0.89 113.55 113.84 1xtp h SER 65 Ca 0.35 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1xtp h SER 65 Cb 0.09 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1xtp h SER 65 CO -0.11 0.91 0.29 1.23 -0.53 0.00 0.00 176.83 178.61 1xtp h GLY 66 N 1.20 0.65 2.00 5.77 0.00 -1.36 0.41 103.07 111.73 1xtp h GLY 66 Ca 0.29 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1xtp h GLY 66 CO -0.04 0.25 -0.21 -0.39 0.00 0.00 0.00 176.54 176.15 1xtp h VAL 67 N 0.61 0.39 -0.60 4.60 -1.51 -1.00 -3.16 116.25 115.57 1xtp h VAL 67 Ca 0.16 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 1xtp h VAL 67 Cb -0.03 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1xtp h VAL 67 CO -0.03 0.20 0.00 0.18 -1.23 0.00 0.00 177.57 176.69 1xtp n LEU 68 N -3.20 4.84 -3.71 4.19 4.77 -0.36 -4.95 117.00 118.58 1xtp n LEU 68 Ca 0.02 -2.55 -0.27 0.00 -0.03 0.00 0.00 56.01 53.18 1xtp n LEU 68 Cb 0.55 -0.58 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1xtp n LEU 68 CO 0.35 0.77 0.16 0.61 -1.33 0.00 0.00 177.39 177.95 1xtp n GLY 69 N 0.92 -0.52 2.00 -0.72 0.00 -0.72 -4.47 105.19 101.68 1xtp n GLY 69 Ca 0.25 0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 1xtp n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtp n GLY 70 N -1.80 -0.84 0.00 -0.02 0.00 0.13 -5.03 105.19 97.63 1xtp n GLY 70 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1xtp n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xtp n ASP 72 N -0.65 0.00 0.00 1.61 9.92 -1.26 -5.06 116.55 121.11 1xtp n ASP 72 Ca 0.03 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.42 1xtp n ASP 72 Cb 0.25 0.00 0.65 0.00 -0.64 0.00 0.00 41.12 41.38 1xtp n ASP 72 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1xtp n HIS 73 N 0.00 0.00 1.37 1.24 8.25 -1.26 -2.39 115.22 122.43 1xtp n HIS 73 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1xtp n HIS 73 Cb 0.00 -0.29 0.58 0.00 1.12 0.00 0.00 29.99 31.40 1xtp n HIS 73 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1xtp n VAL 74 N -1.29 0.00 0.21 1.59 0.24 -1.26 -4.42 118.33 113.40 1xtp n VAL 74 Ca 0.12 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.34 62.21 1xtp n VAL 74 Cb 0.21 -0.05 -0.07 0.00 -1.47 0.00 0.00 33.84 32.45 1xtp n VAL 74 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1xtp h HIS 75 N 0.60 -0.74 -0.30 6.34 6.17 -1.91 -1.49 115.15 123.81 1xtp h HIS 75 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.10 1xtp h HIS 75 Cb 0.38 0.28 -0.02 0.00 2.52 0.00 0.00 27.41 30.57 1xtp h HIS 75 CO 0.00 -0.41 0.17 -0.44 0.71 0.00 0.00 177.93 177.96 1xtp h ASP 76 N -0.62 0.26 -0.68 3.26 3.32 -1.83 -0.38 116.42 119.75 1xtp h ASP 76 Ca -0.02 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1xtp h ASP 76 Cb 0.55 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1xtp h ASP 76 CO -0.03 0.19 0.27 1.62 -1.72 0.00 0.00 179.24 179.57 1xtp h VAL 77 N 0.34 1.24 -0.22 -1.35 3.04 -1.84 -1.86 116.25 115.61 1xtp h VAL 77 Ca 0.12 -0.77 0.02 0.00 -1.01 0.00 0.00 66.70 65.06 1xtp h VAL 77 Cb 0.01 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 29.75 1xtp h VAL 77 CO -0.07 0.31 0.07 -0.78 -1.01 0.00 0.00 177.57 176.09 1xtp h ASP 78 N 0.97 0.08 -0.53 3.17 3.58 -0.54 -1.02 116.42 122.13 1xtp h ASP 78 Ca 0.23 0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.59 1xtp h ASP 78 Cb 0.22 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1xtp h ASP 78 CO -0.02 0.08 -0.07 0.40 -2.88 0.00 0.00 179.24 176.75 1xtp h ILE 79 N 0.18 1.26 -0.40 2.25 1.08 -0.96 -2.32 117.51 118.61 1xtp h ILE 79 Ca 0.09 -1.21 -0.08 0.00 -0.39 0.00 0.00 64.86 63.28 1xtp h ILE 79 Cb 0.06 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 1xtp h ILE 79 CO -0.10 0.43 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.65 1xtp h GLU 80 N 0.90 0.74 -0.69 2.37 4.57 -1.18 -1.21 114.58 120.08 1xtp h GLU 80 Ca 0.15 -0.26 0.07 0.00 -1.18 0.00 0.00 59.36 58.13 1xtp h GLU 80 Cb 0.62 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.10 1xtp h GLU 80 CO 0.04 0.86 0.38 0.78 -1.18 0.00 0.00 179.01 179.88 1xtp h GLY 81 N 0.55 1.02 0.92 1.92 0.00 -1.11 -1.03 103.07 105.33 1xtp h GLY 81 Ca 0.11 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1xtp h GLY 81 CO 0.03 0.14 0.05 1.76 0.00 0.00 0.00 176.54 178.52 1xtp h SER 82 N 0.68 0.59 -0.28 0.19 0.02 -1.30 -1.18 113.55 112.26 1xtp h SER 82 Ca 0.32 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1xtp h SER 82 Cb 0.23 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1xtp h SER 82 CO -0.20 0.71 0.17 -0.09 -1.14 0.00 0.00 176.83 176.28 1xtp h ARG 83 N 0.44 0.38 -0.76 3.45 2.43 -0.97 0.13 114.38 119.49 1xtp h ARG 83 Ca 0.11 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1xtp h ARG 83 Cb 0.38 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1xtp h ARG 83 CO 0.01 0.29 0.27 -0.91 -1.51 0.00 0.00 179.97 178.12 1xtp h ASN 84 N 0.36 1.08 0.14 -3.80 2.35 -1.20 -0.75 115.58 113.75 1xtp h ASN 84 Ca 0.10 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1xtp h ASN 84 Cb 0.01 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.10 1xtp h ASN 84 CO -0.02 0.97 -0.07 0.15 -1.65 0.00 0.00 177.43 176.82 1xtp h PHE 85 N 1.12 -0.18 -0.88 1.19 3.57 -0.93 -2.84 116.94 117.99 1xtp h PHE 85 Ca 0.25 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1xtp h PHE 85 Cb 0.26 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1xtp h PHE 85 CO 0.02 0.07 0.52 0.82 -2.23 0.00 0.00 178.31 177.51 1xtp h ILE 86 N -0.41 1.25 -0.77 1.41 2.04 -0.68 -2.10 117.51 118.25 1xtp h ILE 86 Ca -0.02 -0.56 0.13 0.00 1.00 0.00 0.00 64.86 65.40 1xtp h ILE 86 Cb 0.32 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 1xtp h ILE 86 CO 0.03 0.27 0.51 0.00 0.00 0.00 0.00 178.15 178.96 1xtp h ALA 87 N 1.35 1.95 -0.00 1.87 0.00 -1.08 -2.00 119.26 121.34 1xtp h ALA 87 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1xtp h ALA 87 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xtp h ALA 87 CO -0.06 -0.14 -0.01 -1.13 0.00 0.00 0.00 179.25 177.92 1xtp n SER 88 N -4.50 0.04 -4.68 0.00 3.41 -0.79 -4.84 113.62 102.26 1xtp n SER 88 Ca 0.14 -0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 57.82 1xtp n SER 88 Cb 0.44 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1xtp n SER 88 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xtp s LEU 89 N -2.34 4.21 0.32 1.04 1.43 -0.75 -4.99 118.68 117.59 1xtp s LEU 89 Ca 0.36 1.42 -0.29 0.00 -1.03 0.00 0.00 54.13 54.59 1xtp s LEU 89 Cb 0.21 -3.47 -0.11 0.00 0.03 0.00 0.00 46.19 42.85 1xtp s LEU 89 CO 0.43 -0.47 1.43 -2.84 0.23 0.00 0.00 176.35 175.12 1xtp s PRO 90 N 2.23 4.23 -1.73 1.29 0.02 -1.26 -3.20 135.00 136.58 1xtp s PRO 90 Ca 0.45 2.39 -0.19 0.00 0.02 0.00 0.00 61.00 63.67 1xtp s PRO 90 Cb -0.17 -3.04 0.17 0.00 0.02 0.00 0.00 34.50 31.47 1xtp s PRO 90 CO 0.15 -0.40 0.73 0.41 -0.33 0.00 0.00 177.00 177.55 1xtp n GLY 91 N 1.17 -0.42 3.73 0.52 0.00 -1.26 -4.92 105.19 104.01 1xtp n GLY 91 Ca 0.03 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1xtp n GLY 91 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xtp s HIS 92 N -3.32 3.75 0.80 1.61 -3.43 -1.20 -4.63 115.29 108.89 1xtp s HIS 92 Ca 0.73 1.74 -0.12 0.00 -0.80 0.00 0.00 55.06 56.61 1xtp s HIS 92 Cb -0.40 -3.11 0.07 0.00 -1.43 0.00 0.00 32.58 27.71 1xtp s HIS 92 CO 0.95 0.01 1.12 0.20 -2.00 0.00 0.00 174.74 175.02 1xtp s GLY 93 N 0.11 1.61 -0.05 -1.38 0.00 0.04 -5.03 107.32 102.63 1xtp s GLY 93 Ca 0.48 -0.39 0.07 0.00 0.00 0.00 0.00 44.72 44.89 1xtp s GLY 93 CO 0.30 0.07 1.02 -1.30 0.00 0.00 0.00 173.10 173.19 1xtp n THR 94 N -3.39 0.79 0.00 0.90 -2.24 -1.26 -4.77 114.28 104.30 1xtp n THR 94 Ca 0.07 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1xtp n THR 94 Cb 0.58 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1xtp n THR 94 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xtp n SER 95 N -0.58 0.00 -4.29 3.42 7.64 -1.26 -2.02 113.62 116.52 1xtp n SER 95 Ca 0.06 0.31 -0.32 0.00 1.01 0.00 0.00 58.87 59.93 1xtp n SER 95 Cb 0.63 -0.49 -0.16 0.00 -1.01 0.00 0.00 64.21 63.18 1xtp n SER 95 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1xtp s ARG 96 N -0.98 2.98 0.29 1.43 3.52 -1.26 -1.00 118.95 123.93 1xtp s ARG 96 Ca 0.00 -0.82 0.11 0.00 -0.13 0.00 0.00 55.73 54.90 1xtp s ARG 96 Cb 0.00 -2.37 -0.05 0.00 -1.56 0.00 0.00 34.95 30.97 1xtp s ARG 96 CO 0.00 0.27 -0.16 0.00 -0.81 0.00 0.00 175.30 174.60 1xtp s ALA 97 N 0.14 2.83 -0.05 6.12 0.00 -0.12 -0.10 121.76 130.58 1xtp s ALA 97 Ca -0.11 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1xtp s ALA 97 Cb -0.16 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1xtp s ALA 97 CO 0.06 0.25 -0.02 -1.17 0.00 0.00 0.00 175.76 174.88 1xtp s LEU 98 N -3.55 1.06 -0.46 0.00 2.96 -0.56 -0.49 118.68 117.65 1xtp s LEU 98 Ca 0.31 -0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 54.02 1xtp s LEU 98 Cb -0.04 -0.41 0.10 0.00 0.50 0.00 0.00 46.19 46.34 1xtp s LEU 98 CO 0.16 -0.11 0.33 -0.62 -1.32 0.00 0.00 176.35 174.79 1xtp s ASP 99 N 1.28 5.74 0.04 3.68 2.15 0.00 -0.35 116.67 129.21 1xtp s ASP 99 Ca -0.06 -1.72 -0.19 0.00 0.43 0.00 0.00 52.55 51.01 1xtp s ASP 99 Cb -0.13 -2.03 -0.06 0.00 -0.30 0.00 0.00 42.92 40.40 1xtp s ASP 99 CO -0.02 -0.65 0.55 0.00 -0.17 0.00 0.00 175.17 174.88 1xtp n GLY 101 N 1.93 -0.31 0.25 0.00 0.00 0.31 -4.36 105.19 103.01 1xtp n GLY 101 Ca -0.10 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1xtp n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtp h ALA 102 N 0.88 1.19 -0.91 4.61 0.00 -1.44 -3.47 119.26 120.12 1xtp h ALA 102 Ca -0.61 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1xtp h ALA 102 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1xtp h ALA 102 CO 0.57 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1xtp n GLY 103 N -0.44 4.02 0.95 0.00 0.00 -1.26 -1.31 105.19 107.15 1xtp n GLY 103 Ca -0.01 0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1xtp n GLY 103 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xtp n ILE 104 N 0.00 0.86 -1.61 -0.61 -5.35 -1.26 -3.82 119.36 107.58 1xtp n ILE 104 Ca 0.00 -0.66 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 1xtp n ILE 104 Cb 0.00 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 1xtp n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xtp n GLY 105 N 1.00 0.48 0.17 3.28 0.00 -0.43 -3.94 105.19 105.75 1xtp n GLY 105 Ca 0.15 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 1xtp n GLY 105 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xtp h ARG 106 N 0.00 0.38 -0.33 1.61 2.43 -1.91 0.23 114.38 116.78 1xtp h ARG 106 Ca 0.00 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1xtp h ARG 106 Cb 0.68 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1xtp h ARG 106 CO 0.00 0.25 -0.26 0.82 -1.51 0.00 0.00 179.97 179.27 1xtp h ILE 107 N 0.39 1.29 -0.42 1.20 2.04 -1.94 -2.27 117.51 117.80 1xtp h ILE 107 Ca 0.16 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 1xtp h ILE 107 Cb 0.07 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1xtp h ILE 107 CO -0.12 0.46 0.25 0.74 0.00 0.00 0.00 178.15 179.49 1xtp h THR 108 N 0.53 1.14 -0.54 -0.27 2.02 -1.88 0.26 112.91 114.16 1xtp h THR 108 Ca 0.06 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 1xtp h THR 108 Cb 0.83 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1xtp h THR 108 CO 0.07 0.14 0.15 0.50 0.37 0.00 0.00 175.52 176.75 1xtp h LYS 109 N 0.56 0.84 0.00 6.66 3.64 -0.51 -1.56 116.57 126.20 1xtp h LYS 109 Ca 0.15 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1xtp h LYS 109 Cb 0.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1xtp h LYS 109 CO -0.03 0.78 -1.02 0.09 -2.27 0.00 0.00 179.45 177.00 1xtp n ASN 110 N -4.45 0.92 0.06 4.20 3.02 -0.86 -4.64 115.26 113.51 1xtp n ASN 110 Ca 0.02 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1xtp n ASN 110 Cb 0.21 1.06 0.00 0.00 -0.61 0.00 0.00 39.78 40.44 1xtp n ASN 110 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1xtp n LEU 111 N -1.53 0.15 0.04 3.41 7.94 0.03 -4.88 117.00 122.16 1xtp n LEU 111 Ca 0.03 0.21 -0.07 0.00 -1.11 0.00 0.00 56.01 55.07 1xtp n LEU 111 Cb 0.33 0.09 0.09 0.00 0.53 0.00 0.00 43.42 44.46 1xtp n LEU 111 CO 0.42 -0.57 0.49 -0.07 -1.11 0.00 0.00 177.39 176.54 1xtp h LEU 112 N 0.00 0.45 -1.09 -1.96 3.38 -1.28 -2.16 115.31 112.64 1xtp h LEU 112 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1xtp h LEU 112 Cb 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xtp h LEU 112 CO 0.00 0.92 0.00 0.71 0.09 0.00 0.00 178.44 180.16 1xtp h THR 113 N 0.31 0.00 0.00 0.22 1.35 -1.55 0.18 112.91 113.42 1xtp h THR 113 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1xtp h THR 113 Cb 1.08 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1xtp h THR 113 CO 0.10 0.00 -0.87 0.11 -0.25 0.00 0.00 175.52 174.61 1xtp h LYS 114 N 0.00 0.00 0.00 4.72 1.57 -1.67 -3.41 116.57 117.78 1xtp h LYS 114 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1xtp h LYS 114 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1xtp h LYS 114 CO 0.00 0.00 -1.34 1.28 -0.57 0.00 0.00 179.45 178.82 1xtp n LEU 115 N -2.72 0.00 -4.29 2.94 4.77 -0.61 -5.04 117.00 112.05 1xtp n LEU 115 Ca 0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.68 1xtp n LEU 115 Cb 0.55 0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.54 1xtp n LEU 115 CO 0.39 0.07 -0.56 -0.31 -1.33 0.00 0.00 177.39 175.65 1xtp s TYR 116 N -2.30 2.28 0.23 -1.77 1.51 0.52 -4.77 117.35 113.06 1xtp s TYR 116 Ca -0.03 -0.47 -0.06 0.00 -1.01 0.00 0.00 57.07 55.50 1xtp s TYR 116 Cb 0.03 -1.47 0.33 0.00 -0.11 0.00 0.00 41.96 40.74 1xtp s TYR 116 CO 0.25 -0.07 1.80 0.00 -1.11 0.00 0.00 175.55 176.43 1xtp h ALA 117 N 5.60 1.05 -3.68 3.71 0.00 -0.57 -3.43 119.26 121.93 1xtp h ALA 117 Ca -0.41 0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.29 1xtp h ALA 117 Cb 1.13 -0.12 -0.29 0.00 0.00 0.00 0.00 17.79 18.51 1xtp h ALA 117 CO 0.47 0.06 -0.72 0.99 0.00 0.00 0.00 179.25 180.05 1xtp s THR 118 N -6.06 -0.01 -0.10 0.00 2.01 -0.17 -4.78 115.64 106.54 1xtp s THR 118 Ca -0.13 0.05 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1xtp s THR 118 Cb 0.18 -0.03 0.01 0.00 0.01 0.00 0.00 72.50 72.67 1xtp s THR 118 CO 0.77 0.02 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.65 1xtp s THR 119 N 0.24 1.69 0.25 -0.82 2.01 -0.74 -0.95 115.64 117.32 1xtp s THR 119 Ca -0.02 -0.78 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 1xtp s THR 119 Cb -0.03 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1xtp s THR 119 CO -0.01 0.48 0.44 -1.81 -0.69 0.00 0.00 174.62 173.03 1xtp s ASP 120 N 0.69 6.36 -0.03 3.53 1.01 0.36 -0.64 116.67 127.96 1xtp s ASP 120 Ca -0.12 0.40 0.06 0.00 0.71 0.00 0.00 52.55 53.60 1xtp s ASP 120 Cb -0.16 -2.01 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 1xtp s ASP 120 CO 0.03 -0.12 -0.21 -0.76 0.21 0.00 0.00 175.17 174.32 1xtp s LEU 121 N -3.66 2.02 -0.14 1.23 1.02 -0.13 -0.82 118.68 118.20 1xtp s LEU 121 Ca 0.39 -0.40 -0.00 0.00 0.02 0.00 0.00 54.13 54.14 1xtp s LEU 121 Cb -0.10 -1.11 0.03 0.00 0.02 0.00 0.00 46.19 45.02 1xtp s LEU 121 CO 0.31 0.24 -0.10 -0.22 0.02 0.00 0.00 176.35 176.59 1xtp s LEU 122 N -0.34 1.55 -0.25 1.79 0.20 0.14 -0.11 118.68 121.65 1xtp s LEU 122 Ca 0.04 -0.48 -0.13 0.00 0.69 0.00 0.00 54.13 54.25 1xtp s LEU 122 Cb -0.10 -1.03 0.08 0.00 -0.43 0.00 0.00 46.19 44.72 1xtp s LEU 122 CO 0.00 -0.10 0.60 -0.70 -0.29 0.00 0.00 176.35 175.86 1xtp s GLU 123 N 1.58 0.59 0.34 1.98 2.56 -0.31 -0.53 118.70 124.92 1xtp s GLU 123 Ca 0.04 1.15 0.23 0.00 0.00 0.00 0.00 54.97 56.39 1xtp s GLU 123 Cb -0.13 0.23 0.20 0.00 2.00 0.00 0.00 34.13 36.42 1xtp s GLU 123 CO -0.09 -0.17 1.38 -1.00 -0.56 0.00 0.00 175.26 174.82 1xtp h PRO 124 N 7.26 0.00 -5.44 4.30 0.13 -1.61 -2.69 132.00 133.94 1xtp h PRO 124 Ca -0.29 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.23 1xtp h PRO 124 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1xtp h PRO 124 CO 0.18 0.02 0.05 0.08 -0.23 0.00 0.00 178.00 178.09 1xtp s VAL 125 N -3.26 5.04 0.12 1.56 1.01 -1.26 -4.69 120.40 118.92 1xtp s VAL 125 Ca 0.04 0.99 -0.19 0.00 0.00 0.00 0.00 61.98 62.82 1xtp s VAL 125 Cb 0.07 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1xtp s VAL 125 CO 0.72 0.08 1.74 0.50 0.00 0.00 0.00 175.10 178.14 1xtp h LYS 126 N 7.88 0.34 -1.80 2.72 1.63 -1.98 -1.20 116.57 124.16 1xtp h LYS 126 Ca -0.29 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 1xtp h LYS 126 Cb 1.14 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1xtp h LYS 126 CO 0.74 0.28 0.00 -2.39 -3.45 0.00 0.00 179.45 174.63 1xtp n HIS 127 N -4.88 0.00 0.00 1.91 1.44 -1.26 -1.14 115.22 111.29 1xtp n HIS 127 Ca -0.02 -0.52 0.00 0.00 -2.01 0.00 0.00 57.72 55.17 1xtp n HIS 127 Cb 0.06 -0.34 0.00 0.00 0.12 0.00 0.00 29.99 29.83 1xtp n HIS 127 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1xtp n LEU 129 N 1.37 0.00 -0.20 2.39 7.94 -0.45 -2.74 117.00 125.31 1xtp n LEU 129 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1xtp n LEU 129 Cb 0.31 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.28 1xtp n LEU 129 CO 0.00 0.00 0.98 -0.33 -1.11 0.00 0.00 177.39 176.93 1xtp h GLU 130 N 0.00 0.84 -0.66 1.96 4.39 -1.39 -1.96 114.58 117.76 1xtp h GLU 130 Ca 0.00 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 1xtp h GLU 130 Cb 0.00 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 1xtp h GLU 130 CO 0.00 0.72 0.08 1.49 -1.16 0.00 0.00 179.01 180.14 1xtp h GLU 131 N 0.78 1.10 -0.64 2.33 4.57 -1.76 -2.80 114.58 118.15 1xtp h GLU 131 Ca 0.19 -0.31 0.12 0.00 -1.18 0.00 0.00 59.36 58.18 1xtp h GLU 131 Cb 0.18 -0.12 -0.09 0.00 -0.16 0.00 0.00 28.75 28.57 1xtp h GLU 131 CO -0.02 1.02 0.19 0.00 -1.18 0.00 0.00 179.01 179.03 1xtp h ALA 132 N 1.03 0.81 -0.82 2.92 0.00 -1.63 0.71 119.26 122.29 1xtp h ALA 132 Ca 0.20 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.32 1xtp h ALA 132 Cb 0.47 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 1xtp h ALA 132 CO 0.02 -0.26 0.46 0.87 0.00 0.00 0.00 179.25 180.34 1xtp h LYS 133 N 0.34 0.74 -0.26 0.00 1.57 -1.11 0.94 116.57 118.79 1xtp h LYS 133 Ca 0.34 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.90 1xtp h LYS 133 Cb 0.49 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1xtp h LYS 133 CO -0.38 0.49 -0.53 0.00 -0.57 0.00 0.00 179.45 178.45 1xtp h ARG 134 N 0.76 0.83 0.00 3.15 3.08 -1.18 -2.98 114.38 118.04 1xtp h ARG 134 Ca 0.40 -0.54 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1xtp h ARG 134 Cb 0.40 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1xtp h ARG 134 CO -0.26 1.17 -0.19 0.93 -1.07 0.00 0.00 179.97 180.54 1xtp h GLU 135 N 0.59 0.00 -0.54 0.04 4.39 -0.46 -3.07 114.58 115.53 1xtp h GLU 135 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1xtp h GLU 135 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1xtp h GLU 135 CO 0.12 0.19 0.00 1.28 -1.16 0.00 0.00 179.01 179.44 1xtp n LEU 136 N -3.27 4.54 -4.73 1.33 4.77 0.29 -5.00 117.00 114.92 1xtp n LEU 136 Ca 0.01 -2.55 -0.42 0.00 -0.03 0.00 0.00 56.01 53.02 1xtp n LEU 136 Cb 0.46 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1xtp n LEU 136 CO 0.33 0.76 1.18 0.00 -1.33 0.00 0.00 177.39 178.33 1xtp s ALA 137 N -2.02 3.71 -0.37 -1.18 0.00 -1.13 -4.83 121.76 115.94 1xtp s ALA 137 Ca 0.47 1.36 -0.00 0.00 0.00 0.00 0.00 51.96 53.79 1xtp s ALA 137 Cb 0.32 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1xtp s ALA 137 CO 0.20 -0.77 0.36 0.41 0.00 0.00 0.00 175.76 175.95 1xtp n GLY 138 N 3.01 -0.79 2.74 0.00 0.00 -1.26 -5.11 105.19 103.77 1xtp n GLY 138 Ca 0.11 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 1xtp n GLY 138 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xtp n PRO 140 N -1.34 5.05 -4.31 1.61 -0.04 -1.26 -5.28 135.00 129.42 1xtp n PRO 140 Ca 0.00 -4.65 -0.31 0.00 -0.04 0.00 0.00 63.50 58.50 1xtp n PRO 140 Cb 0.49 -2.46 -0.10 0.00 -0.04 0.00 0.00 33.50 31.39 1xtp n PRO 140 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xtp s VAL 141 N -3.94 3.65 0.00 0.52 1.01 -1.26 -1.79 120.40 118.59 1xtp s VAL 141 Ca 0.38 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1xtp s VAL 141 Cb 0.16 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1xtp s VAL 141 CO -0.07 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1xtp n GLY 142 N 1.07 0.29 3.85 4.51 0.00 0.19 -4.83 105.19 110.27 1xtp n GLY 142 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1xtp n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtp s LYS 143 N 1.35 3.91 -0.42 1.61 1.02 -1.26 -4.97 119.74 120.99 1xtp s LYS 143 Ca 0.00 0.41 -0.04 0.00 0.02 0.00 0.00 55.97 56.36 1xtp s LYS 143 Cb 0.00 -2.83 0.11 0.00 -0.52 0.00 0.00 37.83 34.59 1xtp s LYS 143 CO 0.00 0.42 0.23 -0.06 -0.92 0.00 0.00 175.35 175.02 1xtp s PHE 144 N -1.58 3.57 -0.36 3.18 0.40 -1.26 -0.96 117.98 120.97 1xtp s PHE 144 Ca 0.41 -2.36 -0.16 0.00 -0.60 0.00 0.00 56.93 54.22 1xtp s PHE 144 Cb -0.14 -3.26 -0.00 0.00 0.51 0.00 0.00 43.02 40.13 1xtp s PHE 144 CO 0.20 -0.97 0.39 0.42 0.70 0.00 0.00 175.22 175.96 1xtp s ILE 145 N 1.13 5.14 -0.91 0.64 1.01 0.84 -5.00 121.20 124.04 1xtp s ILE 145 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 1xtp s ILE 145 Cb -0.23 -3.88 0.11 0.00 0.01 0.00 0.00 42.46 38.47 1xtp s ILE 145 CO -0.04 -0.17 1.16 -0.22 0.00 0.00 0.00 174.94 175.67 1xtp s LEU 146 N 2.08 4.73 0.06 2.97 2.96 -1.26 -1.16 118.68 129.07 1xtp s LEU 146 Ca 0.13 -1.82 -0.26 0.00 -0.22 0.00 0.00 54.13 51.95 1xtp s LEU 146 Cb -0.17 -2.43 0.08 0.00 0.50 0.00 0.00 46.19 44.18 1xtp s LEU 146 CO 0.12 -1.18 0.69 0.00 -1.32 0.00 0.00 176.35 174.66 1xtp s ALA 147 N 3.21 -1.70 0.00 5.97 0.00 -1.01 -4.89 121.76 123.35 1xtp s ALA 147 Ca 0.33 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1xtp s ALA 147 Cb -0.06 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1xtp s ALA 147 CO -0.07 -0.63 0.00 0.43 0.00 0.00 0.00 175.76 175.49 1xtp n SER 148 N 0.04 0.00 0.00 0.00 7.64 -1.26 -1.82 113.62 118.21 1xtp n SER 148 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1xtp n SER 148 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1xtp n SER 148 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1xtp n GLU 150 N 0.00 0.00 -0.01 1.43 0.00 -1.26 -2.18 120.64 118.62 1xtp n GLU 150 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.18 1xtp n GLU 150 Cb 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.46 1xtp n GLU 150 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1xtp n THR 151 N 0.00 0.18 -3.11 3.84 -2.24 -1.26 -5.05 114.28 106.64 1xtp n THR 151 Ca 0.00 -0.59 -0.38 0.00 -2.27 0.00 0.00 64.05 60.81 1xtp n THR 151 Cb 0.00 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.15 1xtp n THR 151 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xtp s ALA 152 N -0.48 3.49 -0.22 6.98 0.00 -0.92 -5.06 121.76 125.54 1xtp s ALA 152 Ca 0.06 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.16 1xtp s ALA 152 Cb 0.04 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.33 1xtp s ALA 152 CO 0.05 0.34 -0.01 0.99 0.00 0.00 0.00 175.76 177.13 1xtp s THR 153 N -1.26 3.68 -0.09 0.00 2.01 -1.26 -5.11 115.64 113.62 1xtp s THR 153 Ca 0.36 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1xtp s THR 153 Cb -0.20 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1xtp s THR 153 CO 0.22 0.41 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.73 1xtp s LEU 154 N 1.38 3.13 0.49 4.42 1.43 -1.26 -5.11 118.68 123.17 1xtp s LEU 154 Ca 0.05 -0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 52.87 1xtp s LEU 154 Cb -0.14 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.30 1xtp s LEU 154 CO -0.01 0.31 1.08 -2.16 0.23 0.00 0.00 176.35 175.81 1xtp s PRO 155 N -0.51 3.69 0.66 1.29 0.04 -1.26 -4.79 135.00 134.11 1xtp s PRO 155 Ca 0.08 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 1xtp s PRO 155 Cb -0.12 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 1xtp s PRO 155 CO 0.02 -0.55 1.11 -1.25 0.04 0.00 0.00 177.00 176.38 1xtp s PRO 156 N -3.14 2.81 -1.24 0.56 0.04 -1.26 -4.24 135.00 128.52 1xtp s PRO 156 Ca 0.68 1.41 -0.06 0.00 0.04 0.00 0.00 61.00 63.07 1xtp s PRO 156 Cb -0.20 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1xtp s PRO 156 CO 0.24 -1.25 0.73 -1.71 0.04 0.00 0.00 177.00 175.05 1xtp n ASN 157 N -2.38 -2.80 0.00 6.66 5.15 0.12 -4.87 115.26 117.15 1xtp n ASN 157 Ca 0.10 -0.87 0.00 0.00 -0.60 0.00 0.00 54.58 53.21 1xtp n ASN 157 Cb 0.52 -3.96 0.00 0.00 -0.53 0.00 0.00 39.78 35.81 1xtp n ASN 157 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1xtp n THR 158 N -4.13 0.00 -4.02 -0.44 -1.04 0.50 -4.64 114.28 100.50 1xtp n THR 158 Ca -0.22 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.44 1xtp n THR 158 Cb 0.65 -0.72 -0.09 0.00 -1.82 0.00 0.00 70.33 68.35 1xtp n THR 158 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1xtp s TYR 159 N -1.86 3.33 -0.20 -1.42 2.02 0.03 -4.61 117.35 114.63 1xtp s TYR 159 Ca 0.00 0.22 0.17 0.00 -0.37 0.00 0.00 57.07 57.10 1xtp s TYR 159 Cb 0.00 -2.00 0.05 0.00 -0.40 0.00 0.00 41.96 39.61 1xtp s TYR 159 CO 0.00 0.36 1.28 -0.44 -1.57 0.00 0.00 175.55 175.18 1xtp h ASP 160 N 6.00 0.00 -3.69 2.29 3.32 -0.83 -0.61 116.42 122.90 1xtp h ASP 160 Ca -0.44 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.41 1xtp h ASP 160 Cb 1.18 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.46 1xtp h ASP 160 CO 0.65 0.39 -0.56 -0.22 -1.72 0.00 0.00 179.24 177.78 1xtp s LEU 161 N -6.14 1.27 -0.24 1.55 2.96 -1.05 -2.05 118.68 114.98 1xtp s LEU 161 Ca 0.02 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1xtp s LEU 161 Cb 0.08 0.47 0.06 0.00 0.50 0.00 0.00 46.19 47.29 1xtp s LEU 161 CO 0.75 -0.07 -0.05 -0.63 -1.32 0.00 0.00 176.35 175.03 1xtp s ILE 162 N 0.34 1.56 -0.21 6.68 1.01 -0.57 -1.50 121.20 128.52 1xtp s ILE 162 Ca -0.02 -1.26 -0.19 0.00 0.00 0.00 0.00 60.65 59.18 1xtp s ILE 162 Cb -0.04 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 1xtp s ILE 162 CO -0.01 -0.11 0.55 -0.69 0.00 0.00 0.00 174.94 174.67 1xtp s VAL 163 N 1.38 5.07 -0.39 2.92 1.01 0.53 0.05 120.40 130.96 1xtp s VAL 163 Ca -0.06 1.01 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1xtp s VAL 163 Cb -0.19 -3.87 0.12 0.00 0.00 0.00 0.00 36.38 32.44 1xtp s VAL 163 CO -0.06 0.14 0.18 -0.63 0.00 0.00 0.00 175.10 174.73 1xtp s ILE 164 N 1.82 1.41 -0.10 2.22 1.01 0.16 -1.37 121.20 126.35 1xtp s ILE 164 Ca 0.25 -2.23 0.02 0.00 0.00 0.00 0.00 60.65 58.69 1xtp s ILE 164 Cb -0.16 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1xtp s ILE 164 CO 0.10 -0.79 -0.16 -1.58 0.00 0.00 0.00 174.94 172.50 1xtp s GLN 165 N 0.75 2.23 -1.43 2.79 0.74 -1.26 -1.36 119.66 122.12 1xtp s GLN 165 Ca 0.15 -0.58 -0.06 0.00 0.05 0.00 0.00 55.36 54.92 1xtp s GLN 165 Cb -0.22 -1.85 0.03 0.00 1.10 0.00 0.00 33.01 32.08 1xtp s GLN 165 CO -0.08 -0.01 0.53 0.91 -0.55 0.00 0.00 175.29 176.09 1xtp n TRP 166 N 4.01 -1.86 0.00 1.67 8.01 -0.72 -4.79 117.44 123.76 1xtp n TRP 166 Ca -0.20 0.47 0.00 0.00 -1.31 0.00 0.00 57.50 56.46 1xtp n TRP 166 Cb 0.52 -3.81 0.00 0.00 -2.01 0.00 0.00 31.31 26.00 1xtp n TRP 166 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.69 174.31 1xtp n THR 167 N -4.23 0.00 0.67 -0.99 5.66 -1.26 -4.80 114.28 109.32 1xtp n THR 167 Ca -0.08 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.00 1xtp n THR 167 Cb 0.59 0.00 0.37 0.00 -1.55 0.00 0.00 70.33 69.74 1xtp n THR 167 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xtp n ALA 168 N -0.38 1.82 0.31 1.79 0.00 -1.26 -1.82 120.51 120.96 1xtp n ALA 168 Ca 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.56 1xtp n ALA 168 Cb 0.00 -1.25 1.01 0.00 0.00 0.00 0.00 19.45 19.21 1xtp n ALA 168 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1xtp h ILE 169 N 0.00 0.26 0.00 0.00 3.07 -1.87 -2.84 117.51 116.13 1xtp h ILE 169 Ca 0.00 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.30 1xtp h ILE 169 Cb 0.19 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 37.83 1xtp h ILE 169 CO 0.00 0.02 -0.57 -1.22 -1.05 0.00 0.00 178.15 175.33 1xtp n TYR 170 N -3.42 0.60 -2.74 0.16 4.01 -0.76 -0.60 117.16 114.41 1xtp n TYR 170 Ca -0.03 0.18 -0.40 0.00 -0.16 0.00 0.00 57.90 57.49 1xtp n TYR 170 Cb 0.11 -0.69 -0.06 0.00 -0.31 0.00 0.00 39.34 38.40 1xtp n TYR 170 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xtp s LEU 171 N -4.28 4.62 0.95 7.72 1.43 -1.07 -4.84 118.68 123.21 1xtp s LEU 171 Ca 0.07 1.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 1xtp s LEU 171 Cb 0.13 -3.61 0.16 0.00 0.03 0.00 0.00 46.19 42.91 1xtp s LEU 171 CO 0.71 0.11 1.10 0.42 0.23 0.00 0.00 176.35 178.92 1xtp s THR 172 N -0.97 2.38 0.19 5.49 -4.23 -1.26 -4.78 115.64 112.46 1xtp s THR 172 Ca 0.42 0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 1xtp s THR 172 Cb -0.26 -2.33 0.11 0.00 1.34 0.00 0.00 72.50 71.36 1xtp s THR 172 CO 0.32 -0.16 1.72 0.44 -0.54 0.00 0.00 174.62 176.40 1xtp h ASP 173 N -1.86 1.02 -0.58 3.99 3.32 -1.97 0.58 116.42 120.92 1xtp h ASP 173 Ca -0.49 -0.21 0.07 0.00 0.02 0.00 0.00 57.03 56.42 1xtp h ASP 173 Cb 1.28 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 1xtp h ASP 173 CO 0.48 0.96 0.27 0.00 -1.72 0.00 0.00 179.24 179.23 1xtp h ALA 174 N 1.10 0.75 0.00 3.45 0.00 -2.00 -0.27 119.26 122.29 1xtp h ALA 174 Ca 0.22 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1xtp h ALA 174 Cb 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xtp h ALA 174 CO -0.01 -0.10 -0.70 -0.44 0.00 0.00 0.00 179.25 178.00 1xtp h ASP 175 N 0.50 0.00 0.30 0.00 3.32 -1.83 -2.21 116.42 116.50 1xtp h ASP 175 Ca 0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1xtp h ASP 175 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1xtp h ASP 175 CO -0.22 0.70 -0.15 0.15 -1.72 0.00 0.00 179.24 178.00 1xtp h PHE 176 N 0.00 -0.38 0.18 4.55 3.04 -0.64 0.14 116.94 123.84 1xtp h PHE 176 Ca -0.01 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.95 1xtp h PHE 176 Cb 1.40 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 40.00 1xtp h PHE 176 CO 0.00 -0.19 -0.33 0.28 -2.02 0.00 0.00 178.31 176.05 1xtp h VAL 177 N -0.47 0.30 -0.49 1.41 2.07 -0.99 -1.62 116.25 116.46 1xtp h VAL 177 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1xtp h VAL 177 Cb 0.36 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 1xtp h VAL 177 CO 0.07 0.00 -0.02 0.11 0.02 0.00 0.00 177.57 177.75 1xtp h LYS 178 N -0.60 0.09 -0.43 1.57 1.57 -1.35 -2.80 116.57 114.62 1xtp h LYS 178 Ca 0.02 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1xtp h LYS 178 Cb 0.60 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1xtp h LYS 178 CO -0.16 0.06 -0.18 0.35 -0.57 0.00 0.00 179.45 178.96 1xtp h PHE 179 N 0.10 0.94 -0.17 -1.35 3.57 -0.41 -1.50 116.94 118.13 1xtp h PHE 179 Ca 0.24 -0.20 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 1xtp h PHE 179 Cb 0.37 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1xtp h PHE 179 CO -0.32 0.94 -0.47 0.74 -2.23 0.00 0.00 178.31 176.97 1xtp h PHE 180 N 0.74 0.51 -0.35 0.41 -1.00 -1.15 0.50 116.94 116.60 1xtp h PHE 180 Ca 0.11 -0.16 -0.13 0.00 2.81 0.00 0.00 57.97 60.60 1xtp h PHE 180 Cb 0.70 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 1xtp h PHE 180 CO 0.04 0.82 -0.31 -0.22 -1.61 0.00 0.00 178.31 177.03 1xtp h LYS 181 N 0.34 0.77 -0.44 1.51 3.64 -1.40 -1.59 116.57 119.40 1xtp h LYS 181 Ca 0.02 -0.35 -0.13 0.00 -1.27 0.00 0.00 60.65 58.92 1xtp h LYS 181 Cb 0.96 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1xtp h LYS 181 CO 0.08 0.97 -0.23 1.25 -2.27 0.00 0.00 179.45 179.25 1xtp h HIS 182 N 0.65 1.04 -0.42 1.91 2.76 -0.89 -2.66 115.15 117.53 1xtp h HIS 182 Ca 0.07 -0.25 -0.02 0.00 -2.20 0.00 0.00 60.37 57.97 1xtp h HIS 182 Cb 0.84 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 1xtp h HIS 182 CO 0.04 1.04 0.16 0.00 -1.30 0.00 0.00 177.93 177.88 1xtp h GLN 184 N 0.60 0.69 0.00 0.00 4.15 -0.94 -2.41 115.11 117.20 1xtp h GLN 184 Ca 0.15 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1xtp h GLN 184 Cb 0.13 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1xtp h GLN 184 CO -0.01 0.61 -0.21 -0.56 -1.93 0.00 0.00 178.83 176.73 1xtp h GLN 185 N 0.61 0.00 0.00 1.69 -0.00 -1.41 -2.44 115.11 113.56 1xtp h GLN 185 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 1xtp h GLN 185 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 1xtp h GLN 185 CO -0.02 0.21 0.00 0.00 -0.00 0.00 0.00 178.83 179.02 1xtp n ALA 186 N -2.22 2.17 -1.84 0.06 0.00 -0.94 -0.70 120.51 117.05 1xtp n ALA 186 Ca 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 1xtp n ALA 186 Cb 0.42 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 1xtp n ALA 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xtp s LEU 187 N -3.08 4.07 0.87 0.00 1.43 -0.92 -0.37 118.68 120.68 1xtp s LEU 187 Ca 0.12 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.80 1xtp s LEU 187 Cb 0.17 -4.33 0.11 0.00 0.03 0.00 0.00 46.19 42.17 1xtp s LEU 187 CO 0.47 -0.25 1.13 0.42 0.23 0.00 0.00 176.35 178.35 1xtp s THR 188 N -1.99 2.29 0.57 5.49 -4.23 -0.23 -3.62 115.64 113.92 1xtp s THR 188 Ca 0.58 0.10 0.26 0.00 -1.18 0.00 0.00 61.69 61.44 1xtp s THR 188 Cb -0.12 -2.87 0.36 0.00 1.34 0.00 0.00 72.50 71.20 1xtp s THR 188 CO 0.17 -0.12 2.09 -0.65 -0.54 0.00 0.00 174.62 175.56 1xtp h PRO 189 N -1.34 0.00 -0.74 3.99 0.11 -1.95 -0.27 132.00 131.80 1xtp h PRO 189 Ca -0.49 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 1xtp h PRO 189 Cb 1.31 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.31 1xtp h PRO 189 CO 0.62 0.00 0.24 0.09 -0.21 0.00 0.00 178.00 178.74 1xtp n ASN 190 N -4.02 4.98 -4.94 -2.05 3.02 -1.26 -4.99 115.26 106.00 1xtp n ASN 190 Ca 0.02 -3.17 -0.25 0.00 -0.03 0.00 0.00 54.58 51.15 1xtp n ASN 190 Cb 0.34 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 1xtp n ASN 190 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xtp s GLY 191 N -0.96 1.63 0.04 7.41 0.00 -0.11 -0.78 107.32 114.55 1xtp s GLY 191 Ca 0.55 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 44.28 1xtp s GLY 191 CO 0.14 -0.99 -0.07 -0.19 0.00 0.00 0.00 173.10 171.98 1xtp s TYR 192 N -1.84 0.62 -0.16 1.90 1.51 -0.87 -4.82 117.35 113.69 1xtp s TYR 192 Ca 0.36 -0.47 -0.28 0.00 -1.01 0.00 0.00 57.07 55.66 1xtp s TYR 192 Cb -0.11 -0.38 -0.01 0.00 -0.11 0.00 0.00 41.96 41.36 1xtp s TYR 192 CO 0.29 -0.09 0.97 0.42 -1.11 0.00 0.00 175.55 176.04 1xtp s ILE 193 N -1.30 4.78 -0.47 2.71 1.01 -0.14 -1.51 121.20 126.28 1xtp s ILE 193 Ca -0.10 1.93 -0.18 0.00 0.00 0.00 0.00 60.65 62.31 1xtp s ILE 193 Cb -0.09 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.16 1xtp s ILE 193 CO 0.00 -0.05 0.51 0.12 0.00 0.00 0.00 174.94 175.52 1xtp s PHE 194 N 2.41 3.14 -0.28 3.97 5.36 0.11 -1.51 117.98 131.17 1xtp s PHE 194 Ca 0.44 -0.60 -0.06 0.00 -0.96 0.00 0.00 56.93 55.75 1xtp s PHE 194 Cb -0.17 -3.25 0.01 0.00 -0.34 0.00 0.00 43.02 39.27 1xtp s PHE 194 CO 0.13 -0.87 0.05 0.12 -1.46 0.00 0.00 175.22 173.19 1xtp s PHE 195 N 2.20 3.12 -0.12 10.12 5.36 -0.40 -0.67 117.98 137.59 1xtp s PHE 195 Ca 0.11 -1.01 0.01 0.00 -0.96 0.00 0.00 56.93 55.08 1xtp s PHE 195 Cb -0.20 -2.22 0.02 0.00 -0.34 0.00 0.00 43.02 40.28 1xtp s PHE 195 CO 0.11 -0.58 -0.14 0.21 -1.46 0.00 0.00 175.22 173.36 1xtp s LYS 196 N 1.48 2.18 0.07 10.12 2.20 -0.46 -0.44 119.74 134.89 1xtp s LYS 196 Ca 0.03 -0.53 -0.23 0.00 -0.36 0.00 0.00 55.97 54.87 1xtp s LYS 196 Cb -0.17 -1.94 0.06 0.00 -1.51 0.00 0.00 37.83 34.27 1xtp s LYS 196 CO 0.01 -0.15 0.56 -2.00 -0.36 0.00 0.00 175.35 173.41 1xtp s GLU 197 N 1.24 1.11 0.39 4.03 2.56 -0.71 -1.76 118.70 125.55 1xtp s GLU 197 Ca -0.01 -0.26 -0.27 0.00 0.00 0.00 0.00 54.97 54.42 1xtp s GLU 197 Cb -0.14 0.51 -0.10 0.00 2.00 0.00 0.00 34.13 36.40 1xtp s GLU 197 CO -0.06 -0.42 1.41 -0.80 -0.56 0.00 0.00 175.26 174.83 1xtp s ASN 198 N -2.14 6.33 -0.08 -1.70 0.01 -1.26 -1.00 114.94 115.11 1xtp s ASN 198 Ca -0.04 2.88 0.02 0.00 -0.71 0.00 0.00 52.86 55.01 1xtp s ASN 198 Cb -0.00 -2.66 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1xtp s ASN 198 CO -0.04 -0.86 -0.12 0.00 -1.51 0.00 0.00 177.10 174.57 1xtp n SER 200 N 4.05 0.00 -0.83 0.00 7.64 -0.64 -4.02 113.62 119.82 1xtp n SER 200 Ca -0.21 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.71 1xtp n SER 200 Cb 0.51 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.85 1xtp n SER 200 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xtp n ASP 203 N 0.00 2.28 -4.45 6.43 8.00 -1.26 -4.60 116.55 122.95 1xtp n ASP 203 Ca 0.00 -2.22 -0.28 0.00 0.71 0.00 0.00 54.79 53.00 1xtp n ASP 203 Cb 0.00 -0.43 -0.12 0.00 -0.02 0.00 0.00 41.12 40.55 1xtp n ASP 203 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xtp s ARG 204 N -1.64 1.61 0.43 -1.24 0.52 -1.26 -4.54 118.95 112.83 1xtp s ARG 204 Ca 0.19 -1.38 0.01 0.00 -0.52 0.00 0.00 55.73 54.04 1xtp s ARG 204 Cb 0.13 -1.95 -0.01 0.00 0.52 0.00 0.00 34.95 33.64 1xtp s ARG 204 CO 0.08 0.43 0.63 -0.59 0.02 0.00 0.00 175.30 175.87 1xtp s PHE 205 N -1.42 3.21 -0.20 -0.53 -0.12 -0.92 -4.45 117.98 113.56 1xtp s PHE 205 Ca 0.19 0.15 -0.04 0.00 -0.05 0.00 0.00 56.93 57.19 1xtp s PHE 205 Cb -0.09 -2.24 0.06 0.00 -0.63 0.00 0.00 43.02 40.12 1xtp s PHE 205 CO 0.10 -0.28 0.06 -1.17 -0.05 0.00 0.00 175.22 173.88 1xtp s LEU 206 N -4.48 0.92 -0.17 -1.99 2.96 -0.70 -2.10 118.68 113.13 1xtp s LEU 206 Ca 0.47 -0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 53.27 1xtp s LEU 206 Cb -0.10 -0.48 -0.01 0.00 0.50 0.00 0.00 46.19 46.10 1xtp s LEU 206 CO 0.37 -0.33 1.23 -0.69 -1.32 0.00 0.00 176.35 175.61 1xtp s VAL 207 N 1.95 4.32 -0.45 1.68 1.01 -0.13 -1.21 120.40 127.58 1xtp s VAL 207 Ca 0.01 1.60 -0.25 0.00 0.00 0.00 0.00 61.98 63.35 1xtp s VAL 207 Cb -0.17 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.20 1xtp s VAL 207 CO -0.11 -0.13 0.87 -0.62 0.00 0.00 0.00 175.10 175.11 1xtp s ASP 208 N 1.86 6.48 0.00 3.32 -1.08 0.11 -1.05 116.67 126.31 1xtp s ASP 208 Ca 0.54 0.08 0.31 0.00 -0.52 0.00 0.00 52.55 52.95 1xtp s ASP 208 Cb -0.21 -2.43 1.60 0.00 -1.46 0.00 0.00 42.92 40.42 1xtp s ASP 208 CO 0.14 -0.98 2.08 0.29 0.52 0.00 0.00 175.17 177.21 1xtp n LYS 209 N 6.97 0.75 -0.07 4.34 4.76 -1.26 -1.47 118.16 132.18 1xtp n LYS 209 Ca 0.05 -0.08 -0.11 0.00 -2.87 0.00 0.00 58.31 55.29 1xtp n LYS 209 Cb 0.48 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.09 1xtp n LYS 209 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1xtp h GLU 210 N 0.21 0.00 -0.33 1.97 4.81 -1.95 -3.40 114.58 115.88 1xtp h GLU 210 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xtp h GLU 210 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1xtp h GLU 210 CO 0.00 0.65 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 1xtp n ASP 211 N -4.62 3.10 -3.08 1.04 5.75 -1.24 -4.93 116.55 112.56 1xtp n ASP 211 Ca -0.11 -1.90 -0.07 0.00 -0.01 0.00 0.00 54.79 52.70 1xtp n ASP 211 Cb 0.37 -0.22 0.03 0.00 -1.03 0.00 0.00 41.12 40.28 1xtp n ASP 211 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1xtp n SER 212 N 1.12 -7.03 -3.95 -1.12 2.88 -0.54 -3.96 113.62 101.01 1xtp n SER 212 Ca 0.15 -0.36 -0.10 0.00 -1.33 0.00 0.00 58.87 57.24 1xtp n SER 212 Cb 0.51 -5.07 -0.06 0.00 -0.75 0.00 0.00 64.21 58.84 1xtp n SER 212 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1xtp s SER 213 N -3.16 0.01 0.00 -3.46 1.04 -1.06 -4.67 113.70 102.41 1xtp s SER 213 Ca 0.21 -1.03 -0.06 0.00 0.48 0.00 0.00 55.95 55.56 1xtp s SER 213 Cb -0.03 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 1xtp s SER 213 CO 0.71 -1.13 0.10 -1.48 0.98 0.00 0.00 173.24 172.43 1xtp s LEU 214 N -3.05 1.69 -0.15 2.42 2.34 0.23 0.08 118.68 122.23 1xtp s LEU 214 Ca 0.25 -0.24 -0.10 0.00 0.06 0.00 0.00 54.13 54.09 1xtp s LEU 214 Cb 0.00 0.54 -0.05 0.00 -0.56 0.00 0.00 46.19 46.13 1xtp s LEU 214 CO 0.10 -0.34 0.19 -0.89 -1.06 0.00 0.00 176.35 174.35 1xtp s THR 215 N -1.32 5.39 0.31 5.48 2.01 -0.35 -4.46 115.64 122.70 1xtp s THR 215 Ca -0.14 0.32 0.11 0.00 0.31 0.00 0.00 61.69 62.28 1xtp s THR 215 Cb -0.08 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1xtp s THR 215 CO 0.01 0.49 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.18 1xtp s ARG 216 N -0.14 1.83 0.55 4.92 0.52 -1.26 -1.72 118.95 123.65 1xtp s ARG 216 Ca 0.13 -1.79 -0.08 0.00 -0.52 0.00 0.00 55.73 53.47 1xtp s ARG 216 Cb -0.12 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 1xtp s ARG 216 CO 0.02 0.25 0.91 -1.54 0.02 0.00 0.00 175.30 174.96 1xtp s SER 217 N -3.58 6.23 0.27 0.23 1.04 -1.26 -1.62 113.70 115.01 1xtp s SER 217 Ca 0.31 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1xtp s SER 217 Cb -0.02 -2.35 0.61 0.00 0.10 0.00 0.00 66.02 64.35 1xtp s SER 217 CO 0.16 -0.73 1.72 -0.78 0.98 0.00 0.00 173.24 174.59 1xtp h ASP 218 N -0.06 0.38 -0.50 7.02 3.58 -1.94 0.59 116.42 125.49 1xtp h ASP 218 Ca -0.45 0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.05 1xtp h ASP 218 Cb 1.20 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 1xtp h ASP 218 CO 0.62 0.09 0.06 0.40 -2.88 0.00 0.00 179.24 177.53 1xtp h ILE 219 N 0.48 1.25 0.02 2.25 2.04 -1.97 -1.70 117.51 119.88 1xtp h ILE 219 Ca 0.50 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1xtp h ILE 219 Cb 0.84 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1xtp h ILE 219 CO -0.45 0.36 -0.01 -0.74 0.00 0.00 0.00 178.15 177.31 1xtp h HIS 220 N 0.85 -0.02 -0.76 1.37 2.76 -1.58 -1.07 115.15 116.69 1xtp h HIS 220 Ca 0.17 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.46 1xtp h HIS 220 Cb 0.42 0.01 -0.09 0.00 1.55 0.00 0.00 27.41 29.31 1xtp h HIS 220 CO 0.03 0.18 0.35 1.88 -1.30 0.00 0.00 177.93 179.07 1xtp h TYR 221 N -0.23 0.61 -0.12 5.26 0.05 -0.81 -2.09 116.97 119.65 1xtp h TYR 221 Ca -0.00 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.66 1xtp h TYR 221 Cb 0.22 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1xtp h TYR 221 CO -0.01 0.15 -0.58 0.87 -1.05 0.00 0.00 178.16 177.54 1xtp h LYS 222 N 0.54 0.39 -0.39 4.88 1.57 -1.16 0.35 116.57 122.75 1xtp h LYS 222 Ca 0.40 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1xtp h LYS 222 Cb 0.53 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1xtp h LYS 222 CO -0.34 0.86 0.16 -0.09 -0.57 0.00 0.00 179.45 179.46 1xtp h ARG 223 N 0.29 0.32 -0.50 3.15 2.43 -0.86 -0.18 114.38 119.03 1xtp h ARG 223 Ca -0.00 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1xtp h ARG 223 Cb 1.10 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1xtp h ARG 223 CO 0.10 0.21 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.51 1xtp h LEU 224 N 0.33 1.04 -0.66 3.80 3.38 -0.65 -1.88 115.31 120.66 1xtp h LEU 224 Ca 0.18 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1xtp h LEU 224 Cb 0.14 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1xtp h LEU 224 CO -0.16 1.19 0.41 -0.26 0.09 0.00 0.00 178.44 179.71 1xtp h PHE 225 N 0.88 0.85 -0.33 1.13 0.04 -0.11 -1.02 116.94 118.38 1xtp h PHE 225 Ca 0.12 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 1xtp h PHE 225 Cb 0.77 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 1xtp h PHE 225 CO 0.05 0.56 0.19 -0.97 -0.60 0.00 0.00 178.31 177.55 1xtp h ASN 226 N 0.89 0.40 -0.32 2.17 -0.73 -0.81 -1.88 115.58 115.30 1xtp h ASN 226 Ca 0.24 -0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.32 1xtp h ASN 226 Cb -0.05 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 1xtp h ASN 226 CO -0.05 0.35 0.15 -0.08 -0.37 0.00 0.00 177.43 177.43 1xtp h GLU 227 N 0.42 0.53 0.00 6.67 4.81 -1.07 -1.88 114.58 124.06 1xtp h GLU 227 Ca 0.12 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1xtp h GLU 227 Cb 0.02 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1xtp h GLU 227 CO -0.02 0.44 -0.13 0.77 -0.73 0.00 0.00 179.01 179.33 1xtp h SER 228 N 0.53 0.00 0.00 1.04 0.02 -0.76 -3.47 113.55 110.90 1xtp h SER 228 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1xtp h SER 228 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1xtp h SER 228 CO -0.01 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.42 1xtp n GLY 229 N -0.15 0.45 3.69 -3.77 0.00 -0.71 -4.49 105.19 100.21 1xtp n GLY 229 Ca -0.00 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 1xtp n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtp s VAL 230 N -2.00 4.32 0.03 1.61 0.11 -0.77 -5.04 120.40 118.67 1xtp s VAL 230 Ca 0.00 -0.32 0.07 0.00 -2.93 0.00 0.00 61.98 58.80 1xtp s VAL 230 Cb 0.00 -2.85 -0.03 0.00 -1.53 0.00 0.00 36.38 31.97 1xtp s VAL 230 CO 0.00 0.54 -0.19 0.00 -3.33 0.00 0.00 175.10 172.12 1xtp s ARG 231 N -1.08 2.06 -0.30 1.54 1.70 -0.24 -4.28 118.95 118.36 1xtp s ARG 231 Ca 0.15 -0.98 -0.25 0.00 -0.47 0.00 0.00 55.73 54.18 1xtp s ARG 231 Cb -0.11 -2.17 0.00 0.00 -0.57 0.00 0.00 34.95 32.10 1xtp s ARG 231 CO 0.05 0.54 0.88 0.08 -1.08 0.00 0.00 175.30 175.77 1xtp s VAL 232 N -0.88 4.72 -0.15 4.99 1.01 -1.26 -1.81 120.40 127.02 1xtp s VAL 232 Ca 0.14 1.40 -0.03 0.00 0.00 0.00 0.00 61.98 63.49 1xtp s VAL 232 Cb -0.10 -4.22 -0.24 0.00 0.00 0.00 0.00 36.38 31.82 1xtp s VAL 232 CO 0.04 -0.28 0.25 0.52 0.00 0.00 0.00 175.10 175.63 1xtp n VAL 233 N 5.58 1.70 -3.87 2.92 0.31 0.16 -4.97 118.33 120.17 1xtp n VAL 233 Ca 0.06 -0.65 -0.10 0.00 -0.01 0.00 0.00 64.34 63.64 1xtp n VAL 233 Cb 0.48 -1.60 -0.09 0.00 -0.91 0.00 0.00 33.84 31.72 1xtp n VAL 233 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1xtp s LYS 234 N -2.55 0.62 -0.05 5.55 2.20 -1.14 -5.00 119.74 119.37 1xtp s LYS 234 Ca -0.24 -0.60 -0.20 0.00 -0.36 0.00 0.00 55.97 54.57 1xtp s LYS 234 Cb 0.07 0.26 0.04 0.00 -1.51 0.00 0.00 37.83 36.69 1xtp s LYS 234 CO 0.74 -0.17 0.46 -1.83 -0.36 0.00 0.00 175.35 174.19 1xtp s GLU 235 N -2.28 0.78 -0.19 4.03 -1.05 -1.26 -0.80 118.70 117.93 1xtp s GLU 235 Ca -0.07 0.09 -0.28 0.00 -0.15 0.00 0.00 54.97 54.55 1xtp s GLU 235 Cb -0.03 0.36 0.10 0.00 -0.44 0.00 0.00 34.13 34.12 1xtp s GLU 235 CO -0.03 -0.21 0.86 0.00 0.95 0.00 0.00 175.26 176.83 1xtp s ALA 236 N -1.04 -1.87 0.25 -0.84 0.00 -1.26 -5.01 121.76 111.99 1xtp s ALA 236 Ca -0.11 1.69 -0.30 0.00 0.00 0.00 0.00 51.96 53.24 1xtp s ALA 236 Cb -0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 23.12 22.18 1xtp s ALA 236 CO 0.06 -0.31 0.97 -0.06 0.00 0.00 0.00 175.76 176.41 1xtp s PHE 237 N -0.45 3.92 -0.11 0.00 0.08 -1.26 -4.52 117.98 115.63 1xtp s PHE 237 Ca -0.03 1.88 -0.31 0.00 0.12 0.00 0.00 56.93 58.60 1xtp s PHE 237 Cb -0.03 -3.03 -0.09 0.00 -0.57 0.00 0.00 43.02 39.31 1xtp s PHE 237 CO 0.02 0.29 2.05 0.94 -0.10 0.00 0.00 175.22 178.42 1xtp n GLN 238 N 1.43 2.27 -1.47 0.44 -0.06 0.82 -4.99 117.38 115.82 1xtp n GLN 238 Ca -0.02 0.76 -0.31 0.00 -2.00 0.00 0.00 57.00 55.44 1xtp n GLN 238 Cb 0.47 -2.95 0.07 0.00 -4.06 0.00 0.00 30.24 23.76 1xtp n GLN 238 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 1xtp s GLU 239 N 5.14 2.61 -1.67 3.69 -1.05 -1.26 -3.89 118.70 122.27 1xtp s GLU 239 Ca 0.96 0.98 -0.01 0.00 -0.15 0.00 0.00 54.97 56.74 1xtp s GLU 239 Cb -0.50 -1.95 0.00 0.00 -0.44 0.00 0.00 34.13 31.24 1xtp s GLU 239 CO 0.43 -1.34 0.16 -1.91 0.95 0.00 0.00 175.26 173.55 1xtp n GLU 240 N -3.29 -2.57 -3.28 -4.83 2.13 -1.26 -4.97 120.64 102.57 1xtp n GLU 240 Ca 0.08 0.95 -0.38 0.00 0.66 0.00 0.00 57.16 58.46 1xtp n GLU 240 Cb 0.54 -5.66 -0.06 0.00 0.27 0.00 0.00 31.44 26.53 1xtp n GLU 240 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 1xtp s TRP 241 N -3.04 3.65 0.25 4.31 -0.00 -1.25 -5.01 118.94 117.84 1xtp s TRP 241 Ca 0.08 1.09 -0.30 0.00 -0.00 0.00 0.00 56.10 56.97 1xtp s TRP 241 Cb -0.04 -2.55 -0.14 0.00 -0.00 0.00 0.00 33.47 30.75 1xtp s TRP 241 CO 0.10 0.35 1.29 -2.30 -0.00 0.00 0.00 176.95 176.39 1xtp n PRO 242 N 2.83 1.80 0.19 5.86 -0.02 -1.26 -4.86 135.00 139.53 1xtp n PRO 242 Ca -0.08 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 62.10 1xtp n PRO 242 Cb 0.51 -2.21 0.31 0.00 -0.02 0.00 0.00 33.50 32.09 1xtp n PRO 242 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xtp h THR 243 N 2.75 0.80 0.00 3.45 1.03 -1.98 -2.53 112.91 116.42 1xtp h THR 243 Ca -0.44 -1.55 0.00 0.00 -0.01 0.00 0.00 66.41 64.41 1xtp h THR 243 Cb 1.30 1.98 0.00 0.00 -1.07 0.00 0.00 68.15 70.36 1xtp h THR 243 CO 0.70 0.35 0.00 -0.90 -0.01 0.00 0.00 175.52 175.67 1xtp n ASP 244 N -3.44 0.68 -4.93 0.00 5.75 -1.26 -4.85 116.55 108.50 1xtp n ASP 244 Ca 0.00 0.58 -0.25 0.00 -0.01 0.00 0.00 54.79 55.11 1xtp n ASP 244 Cb 0.53 -0.75 0.01 0.00 -1.03 0.00 0.00 41.12 39.87 1xtp n ASP 244 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xtp s LEU 245 N -4.30 3.66 0.29 -2.12 1.43 -0.95 -5.04 118.68 111.65 1xtp s LEU 245 Ca 0.10 0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 53.47 1xtp s LEU 245 Cb 0.13 -3.45 -0.13 0.00 0.03 0.00 0.00 46.19 42.77 1xtp s LEU 245 CO 0.56 -0.63 1.36 0.49 0.23 0.00 0.00 176.35 178.35 1xtp n PHE 246 N -2.14 2.24 -1.59 0.29 3.72 -1.26 -4.94 117.46 113.79 1xtp n PHE 246 Ca 0.00 0.48 -0.39 0.00 -0.05 0.00 0.00 57.45 57.49 1xtp n PHE 246 Cb 0.57 -2.44 0.03 0.00 -0.94 0.00 0.00 39.48 36.70 1xtp n PHE 246 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1xtp n PRO 247 N 1.32 1.01 -3.92 -1.08 -0.02 -1.26 -4.78 135.00 126.27 1xtp n PRO 247 Ca 0.08 0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 1xtp n PRO 247 Cb 0.34 -2.03 -0.14 0.00 -0.02 0.00 0.00 33.50 31.65 1xtp n PRO 247 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xtp s LEU 248 N -0.89 3.57 0.00 2.45 2.96 -1.26 -1.25 118.68 124.25 1xtp s LEU 248 Ca 0.69 -1.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1xtp s LEU 248 Cb -0.48 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.51 1xtp s LEU 248 CO 0.52 -0.19 0.00 1.17 -1.32 0.00 0.00 176.35 176.53 1xtp n LYS 249 N 4.66 2.45 0.00 1.98 4.81 -0.17 -0.13 118.16 131.77 1xtp n LYS 249 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1xtp n LYS 249 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 1xtp n LYS 249 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xtp n TYR 251 N -0.30 0.00 -3.66 5.64 4.02 0.41 -1.75 117.16 121.52 1xtp n TYR 251 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 1xtp n TYR 251 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.20 1xtp n TYR 251 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xtp s ALA 252 N -0.42 3.38 0.05 -0.72 0.00 0.02 -1.28 121.76 122.79 1xtp s ALA 252 Ca 0.00 -1.10 0.09 0.00 0.00 0.00 0.00 51.96 50.94 1xtp s ALA 252 Cb 0.00 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 1xtp s ALA 252 CO 0.00 -0.51 -0.24 -0.51 0.00 0.00 0.00 175.76 174.50 1xtp s LEU 253 N 1.68 2.18 0.00 0.00 1.43 -0.57 -0.66 118.68 122.73 1xtp s LEU 253 Ca 0.07 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1xtp s LEU 253 Cb -0.16 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1xtp s LEU 253 CO 0.08 0.21 0.19 0.29 0.23 0.00 0.00 176.35 177.35