#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s97 s ILE 2 N 0.00 1.42 -0.09 1.12 1.01 -1.26 -4.26 121.20 119.14 1s97 s ILE 2 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1s97 s ILE 2 Cb 0.00 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 1s97 s ILE 2 CO 0.00 0.43 -0.12 -0.69 0.00 0.00 0.00 174.94 174.56 1s97 s VAL 3 N 1.24 3.22 -0.22 2.92 1.01 -0.36 -2.04 120.40 126.17 1s97 s VAL 3 Ca -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1s97 s VAL 3 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1s97 s VAL 3 CO -0.05 0.56 -0.11 -0.22 0.00 0.00 0.00 175.10 175.28 1s97 s LEU 4 N -0.30 2.79 -0.19 3.92 0.20 -0.13 -2.38 118.68 122.59 1s97 s LEU 4 Ca 0.03 -0.77 -0.08 0.00 0.69 0.00 0.00 54.13 54.00 1s97 s LEU 4 Cb -0.13 -1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 1s97 s LEU 4 CO 0.03 -0.07 0.08 0.12 -0.29 0.00 0.00 176.35 176.21 1s97 s PHE 5 N 1.31 3.25 -0.09 5.38 5.36 0.25 -0.97 117.98 132.49 1s97 s PHE 5 Ca 0.02 0.07 0.02 0.00 -0.96 0.00 0.00 56.93 56.07 1s97 s PHE 5 Cb -0.15 -2.11 -0.02 0.00 -0.34 0.00 0.00 43.02 40.39 1s97 s PHE 5 CO -0.07 0.11 -0.13 0.08 -1.46 0.00 0.00 175.22 173.75 1s97 s VAL 6 N 0.53 3.11 -0.12 3.12 1.01 -0.10 0.08 120.40 128.03 1s97 s VAL 6 Ca 0.04 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1s97 s VAL 6 Cb -0.13 -2.26 0.05 0.00 0.00 0.00 0.00 36.38 34.05 1s97 s VAL 6 CO 0.01 0.56 0.11 -0.62 0.00 0.00 0.00 175.10 175.16 1s97 s ASP 7 N -0.28 1.61 0.31 3.32 3.68 -0.47 -1.14 116.67 123.69 1s97 s ASP 7 Ca 0.02 -0.21 -0.29 0.00 2.13 0.00 0.00 52.55 54.20 1s97 s ASP 7 Cb -0.13 -0.04 -0.10 0.00 -1.45 0.00 0.00 42.92 41.20 1s97 s ASP 7 CO 0.03 -0.30 1.37 -0.36 0.13 0.00 0.00 175.17 176.03 1s97 s PHE 8 N 2.20 3.00 0.11 -5.34 0.08 0.02 -0.92 117.98 117.13 1s97 s PHE 8 Ca 0.04 1.26 -0.30 0.00 0.12 0.00 0.00 56.93 58.05 1s97 s PHE 8 Cb -0.14 -3.76 -0.06 0.00 -0.57 0.00 0.00 43.02 38.49 1s97 s PHE 8 CO -0.07 -2.23 1.03 -0.51 -0.10 0.00 0.00 175.22 173.34 1s97 s ASP 9 N -0.16 7.37 -0.29 1.36 1.01 -1.04 -4.12 116.67 120.81 1s97 s ASP 9 Ca 0.53 1.89 -0.02 0.00 0.71 0.00 0.00 52.55 55.65 1s97 s ASP 9 Cb -0.41 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 40.93 1s97 s ASP 9 CO 0.50 -0.18 0.04 0.00 0.21 0.00 0.00 175.17 175.75 1s97 n TYR 10 N 2.92 -0.26 -0.30 4.23 0.18 -1.26 -4.53 117.16 118.14 1s97 n TYR 10 Ca 0.04 0.08 -0.10 0.00 1.88 0.00 0.00 57.90 59.80 1s97 n TYR 10 Cb 0.48 -0.55 -0.08 0.00 -0.38 0.00 0.00 39.34 38.80 1s97 n TYR 10 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 1s97 h PHE 11 N 0.94 -1.58 -0.45 -3.48 3.57 -1.96 0.48 116.94 114.47 1s97 h PHE 11 Ca -0.13 0.10 0.07 0.00 3.53 0.00 0.00 57.97 61.53 1s97 h PHE 11 Cb 0.28 0.78 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 1s97 h PHE 11 CO 0.09 -0.34 0.13 1.88 -2.23 0.00 0.00 178.31 177.85 1s97 h TYR 12 N -0.08 0.22 -0.32 0.41 0.05 -1.96 0.37 116.97 115.67 1s97 h TYR 12 Ca 0.12 0.02 -0.16 0.00 0.05 0.00 0.00 58.73 58.77 1s97 h TYR 12 Cb 0.38 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1s97 h TYR 12 CO -0.95 0.06 -0.43 0.00 -1.05 0.00 0.00 178.16 175.79 1s97 h ALA 13 N 1.32 0.64 0.00 3.88 0.00 -1.76 -2.66 119.26 120.69 1s97 h ALA 13 Ca 0.22 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1s97 h ALA 13 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1s97 h ALA 13 CO -0.25 0.67 -0.35 0.37 0.00 0.00 0.00 179.25 179.70 1s97 h GLN 14 N 0.64 0.00 -0.10 0.00 4.15 0.56 -0.74 115.11 119.62 1s97 h GLN 14 Ca 0.04 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.31 1s97 h GLN 14 Cb 1.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1s97 h GLN 14 CO 0.10 0.35 -0.62 0.28 -1.93 0.00 0.00 178.83 177.00 1s97 h VAL 15 N 0.00 1.37 -0.42 2.39 2.07 -0.84 -2.51 116.25 118.31 1s97 h VAL 15 Ca -0.00 -1.98 -0.04 0.00 0.82 0.00 0.00 66.70 65.50 1s97 h VAL 15 Cb 0.62 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 1s97 h VAL 15 CO 0.04 0.59 0.11 -0.33 0.02 0.00 0.00 177.57 178.01 1s97 h GLU 16 N 0.26 0.67 0.00 1.57 4.39 -0.95 -2.12 114.58 118.39 1s97 h GLU 16 Ca -0.01 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1s97 h GLU 16 Cb 1.16 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1s97 h GLU 16 CO 0.10 0.67 0.00 -0.85 -1.16 0.00 0.00 179.01 177.78 1s97 n GLU 17 N -4.55 0.04 0.05 2.33 0.28 -0.37 -2.28 120.64 116.13 1s97 n GLU 17 Ca -0.00 0.07 -0.19 0.00 -0.16 0.00 0.00 57.16 56.89 1s97 n GLU 17 Cb 0.20 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.43 1s97 n GLU 17 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1s97 h VAL 18 N 0.00 0.95 0.00 3.84 2.07 -1.17 -2.59 116.25 119.35 1s97 h VAL 18 Ca 0.00 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.90 1s97 h VAL 18 Cb 0.41 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1s97 h VAL 18 CO 0.00 0.81 0.00 0.18 0.02 0.00 0.00 177.57 178.58 1s97 n LEU 19 N -3.45 0.00 -2.73 2.57 4.77 -0.82 -4.36 117.00 112.97 1s97 n LEU 19 Ca -0.22 0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 55.84 1s97 n LEU 19 Cb 1.05 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 42.05 1s97 n LEU 19 CO 0.49 -0.00 0.23 -3.20 -1.33 0.00 0.00 177.39 173.58 1s97 n ASN 20 N -1.11 -2.85 0.24 -1.43 5.15 -0.96 -5.04 115.26 109.25 1s97 n ASN 20 Ca 0.20 -2.36 0.14 0.00 -0.60 0.00 0.00 54.58 51.96 1s97 n ASN 20 Cb 0.16 1.46 0.61 0.00 -0.53 0.00 0.00 39.78 41.48 1s97 n ASN 20 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1s97 h PRO 21 N 4.71 0.00 0.00 1.20 0.11 -1.66 -1.72 132.00 134.64 1s97 h PRO 21 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1s97 h PRO 21 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1s97 h PRO 21 CO -0.02 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.64 1s97 n SER 22 N -3.00 0.14 0.13 -2.05 3.41 -1.26 -1.12 113.62 109.86 1s97 n SER 22 Ca 0.02 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.23 1s97 n SER 22 Cb 0.64 -0.57 0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1s97 n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1s97 h LEU 23 N 0.00 0.00 -9.61 1.04 3.38 -1.61 -3.46 115.31 105.05 1s97 h LEU 23 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1s97 h LEU 23 Cb 0.12 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.93 1s97 h LEU 23 CO 0.00 0.38 1.02 0.29 0.09 0.00 0.00 178.44 180.22 1s97 n LYS 24 N -3.10 2.73 0.00 1.13 5.02 -0.28 -2.47 118.16 121.19 1s97 n LYS 24 Ca 0.00 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.28 1s97 n LYS 24 Cb 0.70 -2.84 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 1s97 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s97 n GLY 25 N 3.98 1.93 3.78 0.72 0.00 -1.26 -5.07 105.19 109.28 1s97 n GLY 25 Ca 0.17 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1s97 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s97 s LYS 26 N 0.00 2.78 0.09 1.61 0.00 -1.03 -5.04 119.74 118.14 1s97 s LYS 26 Ca 0.00 -1.14 -0.31 0.00 0.00 0.00 0.00 55.97 54.52 1s97 s LYS 26 Cb 0.00 -2.47 -0.07 0.00 0.00 0.00 0.00 37.83 35.29 1s97 s LYS 26 CO 0.00 0.39 1.35 -1.25 0.00 0.00 0.00 175.35 175.84 1s97 s PRO 27 N -3.81 4.34 -0.10 1.78 0.04 -1.26 -4.84 135.00 131.14 1s97 s PRO 27 Ca 0.33 2.00 0.02 0.00 0.04 0.00 0.00 61.00 63.39 1s97 s PRO 27 Cb -0.07 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 1s97 s PRO 27 CO 0.24 -0.41 -0.17 0.08 0.04 0.00 0.00 177.00 176.78 1s97 s VAL 28 N 1.23 2.77 -0.27 -0.36 1.01 -1.26 -1.99 120.40 121.52 1s97 s VAL 28 Ca 0.63 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1s97 s VAL 28 Cb -0.35 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 33.99 1s97 s VAL 28 CO 0.30 0.55 0.03 -0.69 0.00 0.00 0.00 175.10 175.28 1s97 s VAL 29 N 0.11 1.25 -0.06 2.92 1.01 -0.14 -1.48 120.40 124.02 1s97 s VAL 29 Ca -0.08 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.28 1s97 s VAL 29 Cb -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1s97 s VAL 29 CO 0.05 -0.38 1.04 -0.69 0.00 0.00 0.00 175.10 175.12 1s97 s VAL 30 N 1.48 4.69 0.31 2.92 1.01 0.17 -2.01 120.40 128.96 1s97 s VAL 30 Ca 0.02 1.95 0.11 0.00 0.00 0.00 0.00 61.98 64.06 1s97 s VAL 30 Cb -0.18 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 1s97 s VAL 30 CO -0.13 0.05 -0.15 0.00 0.00 0.00 0.00 175.10 174.88 1s97 s VAL 32 N -2.59 2.58 -0.35 0.00 1.01 -0.63 -0.34 120.40 120.08 1s97 s VAL 32 Ca 0.31 -2.88 -0.29 0.00 0.00 0.00 0.00 61.98 59.12 1s97 s VAL 32 Cb -0.01 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1s97 s VAL 32 CO 0.15 -0.72 1.40 -0.36 0.00 0.00 0.00 175.10 175.57 1s97 s PHE 33 N 0.23 2.46 -0.19 5.22 0.08 -1.26 -2.39 117.98 122.12 1s97 s PHE 33 Ca 0.14 0.73 0.28 0.00 0.12 0.00 0.00 56.93 58.20 1s97 s PHE 33 Cb -0.23 -4.13 1.24 0.00 -0.57 0.00 0.00 43.02 39.33 1s97 s PHE 33 CO -0.03 -2.00 1.83 0.66 -0.10 0.00 0.00 175.22 175.57 1s97 h SER 34 N 10.26 0.00 0.00 1.36 4.64 -1.70 -3.47 113.55 124.64 1s97 h SER 34 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1s97 h SER 34 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1s97 h SER 34 CO 1.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.63 1s97 n GLY 35 N -0.31 0.55 0.17 -0.77 0.00 -1.26 -4.74 105.19 98.82 1s97 n GLY 35 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1s97 n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s97 h ARG 36 N 1.30 0.00 -1.00 1.61 3.08 -1.86 -3.45 114.38 114.05 1s97 h ARG 36 Ca 0.00 0.00 0.31 0.00 0.07 0.00 0.00 59.98 60.36 1s97 h ARG 36 Cb 0.08 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.90 1s97 h ARG 36 CO 0.00 0.45 1.00 -0.59 -1.07 0.00 0.00 179.97 179.76 1s97 s PHE 37 N -3.34 -0.00 0.00 3.04 -0.12 -1.26 -4.98 117.98 111.32 1s97 s PHE 37 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 1s97 s PHE 37 Cb 0.10 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.99 1s97 s PHE 37 CO 0.71 -0.00 0.00 0.39 -0.05 0.00 0.00 175.22 176.27 1s97 n GLU 38 N 0.16 0.00 -1.13 1.99 -0.58 -1.26 -0.01 120.64 119.80 1s97 n GLU 38 Ca 0.04 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.60 1s97 n GLU 38 Cb 0.57 0.00 0.17 0.00 -0.57 0.00 0.00 31.44 31.61 1s97 n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1s97 n ASP 39 N -0.12 3.80 -4.78 1.62 8.00 -1.26 -4.90 116.55 118.91 1s97 n ASP 39 Ca 0.00 -3.70 -0.35 0.00 0.71 0.00 0.00 54.79 51.44 1s97 n ASP 39 Cb 0.00 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 40.31 1s97 n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s97 s SER 40 N -1.88 6.31 0.00 -2.24 1.04 0.99 -3.76 113.70 114.15 1s97 s SER 40 Ca 0.53 2.06 0.00 0.00 0.48 0.00 0.00 55.95 59.03 1s97 s SER 40 Cb 0.46 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1s97 s SER 40 CO 0.05 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1s97 n GLY 41 N 0.09 0.91 3.38 7.32 0.00 -1.26 -1.80 105.19 113.82 1s97 n GLY 41 Ca 0.08 -2.14 -0.19 0.00 0.00 0.00 0.00 46.02 43.77 1s97 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s97 s ALA 42 N -1.06 2.11 0.03 4.61 0.00 -1.01 -1.44 121.76 125.01 1s97 s ALA 42 Ca 0.00 -1.80 -0.30 0.00 0.00 0.00 0.00 51.96 49.86 1s97 s ALA 42 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1s97 s ALA 42 CO 0.00 -0.08 1.03 0.08 0.00 0.00 0.00 175.76 176.79 1s97 s VAL 43 N -3.10 4.63 -0.20 0.00 1.01 -0.35 -1.61 120.40 120.78 1s97 s VAL 43 Ca 0.27 1.92 -0.14 0.00 0.00 0.00 0.00 61.98 64.03 1s97 s VAL 43 Cb 0.03 -4.23 -0.19 0.00 0.00 0.00 0.00 36.38 31.99 1s97 s VAL 43 CO 0.09 0.17 0.10 0.00 0.00 0.00 0.00 175.10 175.46 1s97 n ALA 44 N 3.77 0.96 -3.45 5.51 0.00 0.05 -1.08 120.51 126.27 1s97 n ALA 44 Ca 0.06 -0.70 -0.17 0.00 0.00 0.00 0.00 53.44 52.64 1s97 n ALA 44 Cb 0.50 -0.41 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 1s97 n ALA 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s97 s THR 45 N -2.46 0.01 -0.02 0.00 2.01 -1.14 -4.61 115.64 109.43 1s97 s THR 45 Ca -0.30 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 1s97 s THR 45 Cb 0.08 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.65 1s97 s THR 45 CO 0.62 -0.05 0.05 0.00 -0.69 0.00 0.00 174.62 174.55 1s97 s ALA 46 N -1.54 -0.12 1.14 7.40 0.00 -1.26 -0.65 121.76 126.73 1s97 s ALA 46 Ca -0.10 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.88 1s97 s ALA 46 Cb -0.01 -0.10 0.26 0.00 0.00 0.00 0.00 23.12 23.27 1s97 s ALA 46 CO 0.06 -0.03 1.05 0.54 0.00 0.00 0.00 175.76 177.38 1s97 s ASN 47 N 0.11 1.35 0.47 0.00 2.20 -0.55 -4.75 114.94 113.78 1s97 s ASN 47 Ca -0.01 1.19 0.20 0.00 -0.94 0.00 0.00 52.86 53.30 1s97 s ASN 47 Cb -0.01 -1.83 1.17 0.00 -2.00 0.00 0.00 41.25 38.58 1s97 s ASN 47 CO -0.00 -3.92 2.01 1.88 -2.94 0.00 0.00 177.10 174.12 1s97 h TYR 48 N -2.44 0.00 0.14 1.54 -1.99 -1.97 -2.00 116.97 110.25 1s97 h TYR 48 Ca -0.56 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.16 1s97 h TYR 48 Cb 1.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.06 1s97 h TYR 48 CO -0.32 0.18 -0.07 0.93 -0.00 0.00 0.00 178.16 178.88 1s97 h GLU 49 N 0.00 -0.18 0.00 4.88 3.07 -1.91 -2.46 114.58 117.97 1s97 h GLU 49 Ca -0.00 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1s97 h GLU 49 Cb 0.36 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1s97 h GLU 49 CO 0.02 -0.04 -0.16 0.00 -1.40 0.00 0.00 179.01 177.43 1s97 h ALA 50 N 0.56 1.24 0.00 3.43 0.00 -1.83 -2.78 119.26 119.89 1s97 h ALA 50 Ca -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1s97 h ALA 50 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1s97 h ALA 50 CO 0.03 0.20 -0.30 0.00 0.00 0.00 0.00 179.25 179.18 1s97 h ARG 51 N 0.00 0.00 -0.38 0.00 3.08 -0.91 -2.49 114.38 113.68 1s97 h ARG 51 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1s97 h ARG 51 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1s97 h ARG 51 CO 0.02 0.30 -0.02 0.87 -1.07 0.00 0.00 179.97 180.07 1s97 h LYS 52 N 0.00 0.61 0.00 0.04 1.57 -1.19 -1.55 116.57 116.05 1s97 h LYS 52 Ca -0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1s97 h LYS 52 Cb 0.85 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1s97 h LYS 52 CO 0.04 0.64 0.00 1.19 -0.57 0.00 0.00 179.45 180.75 1s97 n PHE 53 N -4.24 0.00 -0.23 -1.35 3.72 -1.11 -4.86 117.46 109.38 1s97 n PHE 53 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1s97 n PHE 53 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 1s97 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s97 n GLY 54 N 0.93 0.76 3.58 1.37 0.00 -0.58 -4.98 105.19 106.27 1s97 n GLY 54 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1s97 n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s97 s VAL 55 N -2.22 4.43 0.25 1.61 1.01 -0.95 -5.00 120.40 119.53 1s97 s VAL 55 Ca 0.00 0.96 0.01 0.00 0.00 0.00 0.00 61.98 62.95 1s97 s VAL 55 Cb 0.00 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1s97 s VAL 55 CO 0.00 -0.81 0.15 -1.59 0.00 0.00 0.00 175.10 172.85 1s97 s LYS 56 N 3.86 1.40 0.41 2.72 0.00 -1.26 -3.60 119.74 123.27 1s97 s LYS 56 Ca 0.40 -1.77 -0.26 0.00 0.00 0.00 0.00 55.97 54.34 1s97 s LYS 56 Cb -0.10 0.11 -0.10 0.00 0.00 0.00 0.00 37.83 37.75 1s97 s LYS 56 CO 0.26 -0.43 1.39 0.00 0.00 0.00 0.00 175.35 176.57 1s97 n ALA 57 N -0.42 1.84 0.00 0.59 0.00 -1.26 -3.46 120.51 117.79 1s97 n ALA 57 Ca 0.02 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1s97 n ALA 57 Cb 0.65 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1s97 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s97 n GLY 58 N 0.63 2.88 3.83 0.00 0.00 -0.24 -4.99 105.19 107.30 1s97 n GLY 58 Ca 0.04 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1s97 n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s97 s ILE 59 N -1.32 4.18 0.46 -0.61 -4.36 -1.23 -4.64 121.20 113.69 1s97 s ILE 59 Ca 0.00 0.95 -0.25 0.00 -0.26 0.00 0.00 60.65 61.09 1s97 s ILE 59 Cb 0.00 -3.55 -0.08 0.00 1.25 0.00 0.00 42.46 40.08 1s97 s ILE 59 CO 0.00 -0.69 1.43 -2.84 0.24 0.00 0.00 174.94 173.08 1s97 s PRO 60 N -4.33 3.63 0.13 0.37 0.02 -1.26 -1.21 135.00 132.35 1s97 s PRO 60 Ca 0.60 2.41 -0.19 0.00 0.02 0.00 0.00 61.00 63.85 1s97 s PRO 60 Cb -0.13 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.73 1s97 s PRO 60 CO 0.39 -0.86 1.76 0.82 -0.33 0.00 0.00 177.00 178.79 1s97 h ILE 61 N 2.23 0.99 -0.98 2.83 2.04 -1.47 -0.45 117.51 122.71 1s97 h ILE 61 Ca -0.51 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.34 1s97 h ILE 61 Cb 1.27 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 1s97 h ILE 61 CO 0.61 0.04 0.62 -0.37 0.00 0.00 0.00 178.15 179.05 1s97 h VAL 62 N 0.23 1.06 -0.52 1.67 -1.51 -1.82 0.29 116.25 115.66 1s97 h VAL 62 Ca 0.09 -0.38 -0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1s97 h VAL 62 Cb 0.03 -0.16 -0.03 0.00 -2.13 0.00 0.00 31.29 29.01 1s97 h VAL 62 CO -0.07 0.20 0.31 -0.08 -1.23 0.00 0.00 177.57 176.70 1s97 h GLU 63 N 1.12 0.70 0.22 5.19 4.57 -1.69 -1.57 114.58 123.11 1s97 h GLU 63 Ca 0.43 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.54 1s97 h GLU 63 Cb 0.19 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1s97 h GLU 63 CO -0.18 0.50 -0.10 0.00 -1.18 0.00 0.00 179.01 178.04 1s97 h ALA 64 N 1.62 -0.29 0.00 2.92 0.00 0.10 -3.01 119.26 120.61 1s97 h ALA 64 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s97 h ALA 64 Cb -0.02 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1s97 h ALA 64 CO -0.03 -0.41 0.28 0.87 0.00 0.00 0.00 179.25 179.96 1s97 h LYS 65 N -0.80 0.00 0.00 0.00 1.57 -0.25 -1.28 116.57 115.80 1s97 h LYS 65 Ca -0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1s97 h LYS 65 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1s97 h LYS 65 CO 0.05 0.00 -0.15 -0.22 -0.57 0.00 0.00 179.45 178.56 1s97 h LYS 66 N 0.00 0.10 -0.01 3.15 3.64 -1.16 -0.82 116.57 121.47 1s97 h LYS 66 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1s97 h LYS 66 Cb 0.57 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1s97 h LYS 66 CO 0.00 0.88 -0.25 0.44 -2.27 0.00 0.00 179.45 178.26 1s97 n ILE 67 N -4.58 0.00 -2.71 2.00 -5.35 -0.78 -4.36 119.36 103.57 1s97 n ILE 67 Ca -0.10 -0.09 -0.08 0.00 -0.27 0.00 0.00 62.75 62.21 1s97 n ILE 67 Cb 0.46 0.25 0.09 0.00 -1.74 0.00 0.00 39.64 38.70 1s97 n ILE 67 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1s97 n LEU 68 N -0.84 -0.96 0.19 7.28 4.77 -0.56 -5.00 117.00 121.88 1s97 n LEU 68 Ca 0.12 -3.62 0.08 0.00 -0.03 0.00 0.00 56.01 52.56 1s97 n LEU 68 Cb 0.33 0.25 0.44 0.00 -2.33 0.00 0.00 43.42 42.11 1s97 n LEU 68 CO 0.27 1.85 0.84 1.55 -1.33 0.00 0.00 177.39 180.56 1s97 h PRO 69 N 2.40 0.00 -0.54 3.23 0.13 -1.33 -1.31 132.00 134.59 1s97 h PRO 69 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1s97 h PRO 69 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1s97 h PRO 69 CO 0.12 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.16 1s97 n ASN 70 N -2.18 3.59 -4.89 1.44 2.04 -1.26 -4.98 115.26 109.02 1s97 n ASN 70 Ca -0.01 -1.98 -0.30 0.00 -0.44 0.00 0.00 54.58 51.85 1s97 n ASN 70 Cb 0.30 -0.35 0.05 0.00 -2.53 0.00 0.00 39.78 37.25 1s97 n ASN 70 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1s97 s ALA 71 N -1.18 2.91 -0.11 -2.53 0.00 -0.50 -4.98 121.76 115.38 1s97 s ALA 71 Ca 0.41 -0.41 -0.24 0.00 0.00 0.00 0.00 51.96 51.72 1s97 s ALA 71 Cb 0.22 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1s97 s ALA 71 CO 0.30 -1.16 0.74 0.08 0.00 0.00 0.00 175.76 175.72 1s97 s VAL 72 N -3.35 4.99 -0.22 0.00 1.01 -0.84 -5.00 120.40 116.99 1s97 s VAL 72 Ca 0.58 1.49 -0.02 0.00 0.00 0.00 0.00 61.98 64.03 1s97 s VAL 72 Cb -0.11 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1s97 s VAL 72 CO 0.51 0.17 -0.08 -0.31 0.00 0.00 0.00 175.10 175.39 1s97 s TYR 73 N 1.33 2.95 0.16 5.22 2.02 -1.26 -0.97 117.35 126.81 1s97 s TYR 73 Ca 0.37 -1.24 0.11 0.00 -0.37 0.00 0.00 57.07 55.94 1s97 s TYR 73 Cb -0.17 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 1s97 s TYR 73 CO 0.16 -0.65 -0.23 -0.51 -1.57 0.00 0.00 175.55 172.75 1s97 s LEU 74 N 1.40 2.47 0.33 -1.29 1.43 -0.85 -4.99 118.68 117.18 1s97 s LEU 74 Ca 0.04 -0.77 -0.25 0.00 -1.03 0.00 0.00 54.13 52.12 1s97 s LEU 74 Cb -0.15 -1.27 -0.10 0.00 0.03 0.00 0.00 46.19 44.71 1s97 s LEU 74 CO -0.05 0.15 0.93 -2.16 0.23 0.00 0.00 176.35 175.45 1s97 s PRO 75 N -2.42 4.53 0.24 1.29 0.04 -1.26 1.00 135.00 138.42 1s97 s PRO 75 Ca 0.18 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1s97 s PRO 75 Cb -0.09 -2.74 -0.09 0.00 0.04 0.00 0.00 34.50 31.62 1s97 s PRO 75 CO 0.09 0.25 1.22 1.41 0.04 0.00 0.00 177.00 180.02 1s97 s MET 76 N -2.16 4.47 -0.59 4.56 1.75 0.54 -4.71 119.30 123.16 1s97 s MET 76 Ca 0.51 1.97 0.06 0.00 -1.25 0.00 0.00 55.69 56.97 1s97 s MET 76 Cb -0.18 -3.19 0.31 0.00 2.84 0.00 0.00 34.83 34.62 1s97 s MET 76 CO 0.23 -0.08 0.86 0.54 -0.65 0.00 0.00 175.02 175.92 1s97 n ARG 77 N 1.91 2.86 -0.30 4.11 1.74 -1.26 -4.94 116.66 120.78 1s97 n ARG 77 Ca 0.03 -4.70 0.08 0.00 -0.77 0.00 0.00 57.85 52.48 1s97 n ARG 77 Cb 0.44 -2.20 0.19 0.00 -1.02 0.00 0.00 32.46 29.86 1s97 n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1s97 h LYS 78 N 3.40 0.05 -0.70 5.56 1.63 -1.99 0.22 116.57 124.74 1s97 h LYS 78 Ca 0.15 -0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.07 1s97 h LYS 78 Cb 0.58 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 1s97 h LYS 78 CO 0.80 0.03 0.46 0.93 -3.45 0.00 0.00 179.45 178.23 1s97 h GLU 79 N 0.05 0.44 0.05 1.90 3.07 -1.99 0.14 114.58 118.24 1s97 h GLU 79 Ca 0.47 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 59.12 1s97 h GLU 79 Cb 0.85 -0.10 0.02 0.00 -0.84 0.00 0.00 28.75 28.68 1s97 h GLU 79 CO -0.80 0.29 -0.74 0.28 -1.40 0.00 0.00 179.01 176.63 1s97 h VAL 80 N 0.45 1.43 -0.04 3.13 2.07 -1.00 -2.96 116.25 119.32 1s97 h VAL 80 Ca 0.33 -2.25 -0.06 0.00 0.82 0.00 0.00 66.70 65.55 1s97 h VAL 80 Cb 0.68 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1s97 h VAL 80 CO -0.10 0.65 -0.24 1.88 0.02 0.00 0.00 177.57 179.78 1s97 h TYR 81 N -0.12 0.08 -0.40 1.57 0.05 -0.85 -2.50 116.97 114.79 1s97 h TYR 81 Ca -0.11 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.51 1s97 h TYR 81 Cb 1.48 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.19 1s97 h TYR 81 CO 0.16 0.31 -0.34 0.37 -1.05 0.00 0.00 178.16 177.60 1s97 h GLN 82 N 0.07 0.93 -0.36 4.88 5.75 -1.03 -0.55 115.11 124.80 1s97 h GLN 82 Ca 0.01 -0.47 -0.10 0.00 -0.15 0.00 0.00 58.65 57.94 1s97 h GLN 82 Cb 0.46 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1s97 h GLN 82 CO 0.03 1.12 -0.18 1.96 -2.65 0.00 0.00 178.83 179.12 1s97 h GLN 83 N 0.77 0.76 -0.68 1.69 4.20 -1.31 0.25 115.11 120.80 1s97 h GLN 83 Ca 0.07 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 1s97 h GLN 83 Cb 0.93 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 1s97 h GLN 83 CO 0.09 0.95 0.19 0.28 -0.67 0.00 0.00 178.83 179.67 1s97 h VAL 84 N 0.55 1.26 -0.78 -0.54 2.07 -1.44 -1.69 116.25 115.69 1s97 h VAL 84 Ca 0.08 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1s97 h VAL 84 Cb 0.72 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1s97 h VAL 84 CO 0.05 0.35 0.49 -1.28 0.02 0.00 0.00 177.57 177.20 1s97 h SER 85 N 1.00 0.91 -0.45 0.57 0.87 -0.85 -0.36 113.55 115.24 1s97 h SER 85 Ca 0.22 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 1s97 h SER 85 Cb 0.33 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1s97 h SER 85 CO -0.00 0.69 0.16 0.28 -0.53 0.00 0.00 176.83 177.42 1s97 h SER 86 N 1.06 0.64 -0.72 6.23 0.02 -0.48 0.51 113.55 120.81 1s97 h SER 86 Ca 0.28 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1s97 h SER 86 Cb -0.08 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1s97 h SER 86 CO -0.06 0.65 0.34 0.03 -1.14 0.00 0.00 176.83 176.66 1s97 h ARG 87 N 0.59 1.03 -0.27 3.45 3.08 -0.98 -0.39 114.38 120.88 1s97 h ARG 87 Ca 0.15 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1s97 h ARG 87 Cb 0.23 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1s97 h ARG 87 CO -0.01 0.81 0.04 0.82 -1.07 0.00 0.00 179.97 180.56 1s97 h ILE 88 N 1.00 1.23 0.00 2.04 2.04 -0.54 -2.19 117.51 121.09 1s97 h ILE 88 Ca 0.25 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1s97 h ILE 88 Cb 0.12 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1s97 h ILE 88 CO -0.03 0.26 -0.02 0.24 0.00 0.00 0.00 178.15 178.60 1s97 h MET 89 N 0.26 0.00 0.00 2.37 2.86 0.26 0.26 114.93 120.94 1s97 h MET 89 Ca 0.08 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1s97 h MET 89 Cb 0.34 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1s97 h MET 89 CO 0.01 0.02 -0.13 -0.91 1.06 0.00 0.00 176.91 176.96 1s97 h ASN 90 N 0.00 0.00 0.10 1.22 2.35 -0.45 -2.07 115.58 116.72 1s97 h ASN 90 Ca -0.00 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.47 1s97 h ASN 90 Cb 0.04 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.43 1s97 h ASN 90 CO 0.00 0.13 -1.14 -0.07 -1.65 0.00 0.00 177.43 174.69 1s97 h LEU 91 N 0.00 0.87 -0.96 1.61 3.38 -0.61 -3.27 115.31 116.34 1s97 h LEU 91 Ca -0.00 -0.75 -0.10 0.00 0.09 0.00 0.00 57.88 57.12 1s97 h LEU 91 Cb 0.76 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1s97 h LEU 91 CO 0.02 1.55 -0.30 -0.07 0.09 0.00 0.00 178.44 179.73 1s97 h LEU 92 N 0.32 0.40 -2.60 1.67 3.38 -1.30 -2.29 115.31 114.90 1s97 h LEU 92 Ca -0.16 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1s97 h LEU 92 Cb 1.81 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 1s97 h LEU 92 CO 0.22 0.69 -0.01 -0.09 0.09 0.00 0.00 178.44 179.34 1s97 h ARG 93 N 0.35 0.00 -0.01 1.13 2.43 -1.43 -1.08 114.38 115.76 1s97 h ARG 93 Ca 0.05 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 1s97 h ARG 93 Cb 0.70 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1s97 h ARG 93 CO 0.05 0.01 -0.47 1.49 -1.51 0.00 0.00 179.97 179.55 1s97 h GLU 94 N 0.00 0.03 0.00 0.20 4.57 -1.48 -3.18 114.58 114.72 1s97 h GLU 94 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1s97 h GLU 94 Cb 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1s97 h GLU 94 CO 0.00 0.49 -0.35 1.88 -1.18 0.00 0.00 179.01 179.85 1s97 h TYR 95 N 0.03 0.00 -1.54 0.92 0.05 -1.30 -3.46 116.97 111.66 1s97 h TYR 95 Ca -0.00 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.87 1s97 h TYR 95 Cb 0.84 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.31 1s97 h TYR 95 CO 0.00 0.00 0.45 0.45 -1.05 0.00 0.00 178.16 178.01 1s97 s SER 96 N -4.71 -0.45 0.43 3.88 0.15 -1.20 -5.00 113.70 106.80 1s97 s SER 96 Ca 0.07 0.80 0.24 0.00 0.70 0.00 0.00 55.95 57.76 1s97 s SER 96 Cb 0.11 0.97 0.51 0.00 -1.71 0.00 0.00 66.02 65.90 1s97 s SER 96 CO 0.68 -0.13 1.66 1.05 1.20 0.00 0.00 173.24 177.69 1s97 h GLU 97 N 4.93 0.00 -4.98 5.44 9.09 -1.89 -3.37 114.58 123.79 1s97 h GLU 97 Ca -0.28 0.00 -0.70 0.00 0.05 0.00 0.00 59.36 58.43 1s97 h GLU 97 Cb 1.18 0.00 -0.17 0.00 -1.65 0.00 0.00 28.75 28.11 1s97 h GLU 97 CO 0.15 0.09 0.97 0.15 0.05 0.00 0.00 179.01 180.43 1s97 s LYS 98 N -3.28 3.72 -0.07 1.06 1.02 -1.26 -4.96 119.74 115.97 1s97 s LYS 98 Ca 0.05 -1.95 0.02 0.00 0.02 0.00 0.00 55.97 54.12 1s97 s LYS 98 Cb 0.06 -4.96 0.01 0.00 -0.52 0.00 0.00 37.83 32.42 1s97 s LYS 98 CO 0.66 -1.78 -0.13 -1.50 -0.92 0.00 0.00 175.35 171.68 1s97 s ILE 99 N 2.46 1.18 -0.36 2.17 2.07 -1.26 -1.45 121.20 126.02 1s97 s ILE 99 Ca 0.35 -0.51 -0.02 0.00 -1.41 0.00 0.00 60.65 59.07 1s97 s ILE 99 Cb -0.04 -1.08 0.08 0.00 0.13 0.00 0.00 42.46 41.55 1s97 s ILE 99 CO -0.07 0.37 0.11 -0.70 -1.91 0.00 0.00 174.94 172.74 1s97 s GLU 100 N 0.66 2.15 -0.49 3.50 2.12 0.15 -4.14 118.70 122.66 1s97 s GLU 100 Ca -0.15 -1.59 -0.29 0.00 0.36 0.00 0.00 54.97 53.31 1s97 s GLU 100 Cb -0.16 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.85 1s97 s GLU 100 CO 0.04 -0.88 1.13 0.42 -0.54 0.00 0.00 175.26 175.43 1s97 s ILE 101 N 1.18 4.21 0.11 -3.70 1.01 -1.26 -0.43 121.20 122.32 1s97 s ILE 101 Ca 0.03 1.15 0.07 0.00 0.00 0.00 0.00 60.65 61.90 1s97 s ILE 101 Cb -0.21 -4.60 -0.21 0.00 0.01 0.00 0.00 42.46 37.44 1s97 s ILE 101 CO -0.03 -1.03 1.23 0.00 0.00 0.00 0.00 174.94 175.11 1s97 h ALA 102 N 9.25 0.38 -2.02 9.38 0.00 -1.56 -3.43 119.26 131.26 1s97 h ALA 102 Ca -0.23 -0.95 0.07 0.00 0.00 0.00 0.00 54.91 53.80 1s97 h ALA 102 Cb 1.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1s97 h ALA 102 CO 1.13 1.27 0.27 -1.13 0.00 0.00 0.00 179.25 180.79 1s97 n SER 103 N -3.33 -0.79 0.12 0.00 3.41 -1.12 -4.96 113.62 106.96 1s97 n SER 103 Ca -0.02 -1.41 0.08 0.00 -0.26 0.00 0.00 58.87 57.26 1s97 n SER 103 Cb 0.95 1.28 0.42 0.00 -0.26 0.00 0.00 64.21 66.61 1s97 n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s97 n ILE 104 N -0.33 1.25 -2.03 -1.33 3.06 -1.26 -3.00 119.36 115.72 1s97 n ILE 104 Ca -0.01 0.68 0.00 0.00 -2.50 0.00 0.00 62.75 60.92 1s97 n ILE 104 Cb 0.27 -1.68 -0.00 0.00 0.54 0.00 0.00 39.64 38.77 1s97 n ILE 104 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1s97 n ASP 105 N -2.04 0.04 -3.93 9.51 5.75 -1.26 -4.75 116.55 119.88 1s97 n ASP 105 Ca -0.01 -1.77 -0.12 0.00 -0.01 0.00 0.00 54.79 52.88 1s97 n ASP 105 Cb 0.05 -0.15 -0.13 0.00 -1.03 0.00 0.00 41.12 39.85 1s97 n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1s97 s GLU 106 N 0.00 0.20 -0.15 0.11 2.02 -1.16 -0.80 118.70 118.92 1s97 s GLU 106 Ca 0.02 -0.22 -0.18 0.00 0.02 0.00 0.00 54.97 54.61 1s97 s GLU 106 Cb 0.02 -0.11 0.05 0.00 0.10 0.00 0.00 34.13 34.19 1s97 s GLU 106 CO -0.01 0.02 0.49 0.00 0.02 0.00 0.00 175.26 175.78 1s97 s ALA 107 N -0.40 -1.21 -0.13 5.21 0.00 -0.29 -1.31 121.76 123.62 1s97 s ALA 107 Ca -0.03 1.23 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 1s97 s ALA 107 Cb -0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1s97 s ALA 107 CO -0.00 -0.25 -0.03 0.71 0.00 0.00 0.00 175.76 176.19 1s97 s TYR 108 N -0.11 3.05 -0.12 0.00 2.02 0.43 -0.92 117.35 121.70 1s97 s TYR 108 Ca -0.03 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 1s97 s TYR 108 Cb -0.03 -1.90 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1s97 s TYR 108 CO 0.02 0.11 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.39 1s97 s LEU 109 N 0.00 2.02 -0.40 -1.29 1.02 -0.14 0.31 118.68 120.21 1s97 s LEU 109 Ca 0.01 -0.55 -0.21 0.00 0.02 0.00 0.00 54.13 53.40 1s97 s LEU 109 Cb -0.13 -1.35 0.01 0.00 0.02 0.00 0.00 46.19 44.74 1s97 s LEU 109 CO 0.02 0.10 0.68 -0.62 0.02 0.00 0.00 176.35 176.55 1s97 s ASP 110 N 0.67 6.40 -0.19 2.29 -1.08 -0.53 -0.96 116.67 123.27 1s97 s ASP 110 Ca -0.12 -0.04 0.15 0.00 -0.52 0.00 0.00 52.55 52.02 1s97 s ASP 110 Cb -0.16 -2.34 0.43 0.00 -1.46 0.00 0.00 42.92 39.38 1s97 s ASP 110 CO 0.02 -0.72 1.31 2.30 0.52 0.00 0.00 175.17 178.59 1s97 n ILE 111 N 5.79 2.20 -0.11 4.11 -5.35 -0.86 -4.63 119.36 120.50 1s97 n ILE 111 Ca -0.00 -2.43 0.14 0.00 -0.27 0.00 0.00 62.75 60.19 1s97 n ILE 111 Cb 0.48 -0.26 0.52 0.00 -1.74 0.00 0.00 39.64 38.63 1s97 n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1s97 h SER 112 N 0.88 0.35 -0.28 7.28 0.02 -1.86 -0.96 113.55 118.99 1s97 h SER 112 Ca 0.05 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1s97 h SER 112 Cb 1.27 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1s97 h SER 112 CO 0.15 0.20 0.00 0.47 -1.14 0.00 0.00 176.83 176.51 1s97 n ASP 113 N -4.47 2.68 -0.01 3.07 8.00 -1.26 -4.07 116.55 120.49 1s97 n ASP 113 Ca 0.12 -1.88 0.07 0.00 0.71 0.00 0.00 54.79 53.81 1s97 n ASP 113 Cb 0.45 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 41.27 1s97 n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s97 n LYS 114 N 0.99 0.70 -4.10 -1.24 4.76 -0.39 -5.03 118.16 113.86 1s97 n LYS 114 Ca 0.18 -0.11 -0.09 0.00 -2.87 0.00 0.00 58.31 55.42 1s97 n LYS 114 Cb 0.49 -1.31 -0.10 0.00 -1.84 0.00 0.00 35.03 32.27 1s97 n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1s97 s VAL 115 N -2.89 0.38 -0.12 -0.18 -7.23 -1.05 -5.05 120.40 104.25 1s97 s VAL 115 Ca -0.04 -1.66 0.22 0.00 -1.81 0.00 0.00 61.98 58.69 1s97 s VAL 115 Cb 0.09 -1.32 -0.19 0.00 0.56 0.00 0.00 36.38 35.52 1s97 s VAL 115 CO 0.58 -0.84 0.71 0.54 -0.31 0.00 0.00 175.10 175.78 1s97 n ARG 116 N 0.39 0.64 -3.42 4.82 1.74 -1.26 -4.81 116.66 114.75 1s97 n ARG 116 Ca -0.16 -0.04 -0.06 0.00 -0.77 0.00 0.00 57.85 56.82 1s97 n ARG 116 Cb 0.60 -1.66 0.02 0.00 -1.02 0.00 0.00 32.46 30.40 1s97 n ARG 116 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1s97 n ASP 117 N -2.47 -1.82 0.29 0.55 3.85 -1.26 -5.04 116.55 110.64 1s97 n ASP 117 Ca -0.04 -2.18 0.18 0.00 -0.71 0.00 0.00 54.79 52.04 1s97 n ASP 117 Cb 0.59 3.02 0.81 0.00 -1.35 0.00 0.00 41.12 44.19 1s97 n ASP 117 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 1s97 h TYR 118 N 1.85 0.00 -0.15 2.11 0.05 -1.98 -0.92 116.97 117.94 1s97 h TYR 118 Ca -0.27 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.46 1s97 h TYR 118 Cb 1.05 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.79 1s97 h TYR 118 CO 0.00 0.03 -0.09 -0.09 -1.05 0.00 0.00 178.16 176.95 1s97 h ARG 119 N 0.00 0.32 -0.37 4.88 2.43 -1.99 -0.79 114.38 118.87 1s97 h ARG 119 Ca -0.00 -0.15 -0.14 0.00 -0.81 0.00 0.00 59.98 58.88 1s97 h ARG 119 Cb 0.39 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1s97 h ARG 119 CO 0.00 0.67 -0.32 0.93 -1.51 0.00 0.00 179.97 179.74 1s97 h GLU 120 N -0.03 0.82 -0.76 0.20 5.08 -1.91 -0.47 114.58 117.51 1s97 h GLU 120 Ca 0.03 -0.39 0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1s97 h GLU 120 Cb 0.58 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1s97 h GLU 120 CO 0.03 1.02 0.44 0.00 -1.00 0.00 0.00 179.01 179.50 1s97 h ALA 121 N 0.94 1.03 0.33 3.43 0.00 -1.11 0.22 119.26 124.11 1s97 h ALA 121 Ca 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1s97 h ALA 121 Cb 0.87 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1s97 h ALA 121 CO 0.08 0.14 -0.16 -0.92 0.00 0.00 0.00 179.25 178.39 1s97 h TYR 122 N 0.81 -0.41 -0.41 0.00 3.20 -0.64 -0.95 116.97 118.56 1s97 h TYR 122 Ca 0.34 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.25 1s97 h TYR 122 Cb 0.20 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1s97 h TYR 122 CO -0.06 -0.18 0.28 -0.91 -1.64 0.00 0.00 178.16 175.65 1s97 h ASN 123 N -0.56 0.30 -0.33 -2.11 -0.26 -0.68 0.41 115.58 112.36 1s97 h ASN 123 Ca -0.05 -0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.57 1s97 h ASN 123 Cb 0.41 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 1s97 h ASN 123 CO 0.07 0.20 -0.29 0.25 -1.06 0.00 0.00 177.43 176.61 1s97 h LEU 124 N 0.34 0.82 -1.27 1.61 5.85 -0.70 0.55 115.31 122.50 1s97 h LEU 124 Ca 0.18 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.46 1s97 h LEU 124 Cb 0.28 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1s97 h LEU 124 CO -0.04 1.10 0.50 1.23 -0.34 0.00 0.00 178.44 180.89 1s97 h GLY 125 N 0.54 1.05 1.04 3.75 0.00 0.34 0.35 103.07 110.14 1s97 h GLY 125 Ca 0.06 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1s97 h GLY 125 CO 0.07 0.37 -0.09 1.41 0.00 0.00 0.00 176.54 178.30 1s97 h LEU 126 N 1.00 0.91 -0.18 3.11 3.38 -0.66 -1.96 115.31 120.90 1s97 h LEU 126 Ca 0.28 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1s97 h LEU 126 Cb -0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1s97 h LEU 126 CO -0.07 1.05 0.07 -0.08 0.09 0.00 0.00 178.44 179.50 1s97 h GLU 127 N 0.76 0.16 -0.77 1.13 4.22 0.63 -2.13 114.58 118.57 1s97 h GLU 127 Ca 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1s97 h GLU 127 Cb 0.63 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1s97 h GLU 127 CO 0.04 0.10 0.50 0.82 -2.18 0.00 0.00 179.01 178.29 1s97 h ILE 128 N 0.16 1.21 -0.53 2.32 2.04 -0.20 -1.49 117.51 121.02 1s97 h ILE 128 Ca 0.07 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 1s97 h ILE 128 Cb 0.03 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1s97 h ILE 128 CO -0.07 0.20 0.07 0.11 0.00 0.00 0.00 178.15 178.46 1s97 h LYS 129 N 1.05 0.89 -0.70 2.37 1.57 -1.16 -1.92 116.57 118.66 1s97 h LYS 129 Ca 0.28 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1s97 h LYS 129 Cb -0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1s97 h LYS 129 CO -0.06 0.88 0.20 -0.91 -0.57 0.00 0.00 179.45 178.99 1s97 h ASN 130 N 0.77 1.05 0.17 0.86 -0.26 -1.14 0.03 115.58 117.05 1s97 h ASN 130 Ca 0.16 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1s97 h ASN 130 Cb 0.43 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1s97 h ASN 130 CO 0.01 0.99 -0.08 0.50 -1.06 0.00 0.00 177.43 177.79 1s97 h LYS 131 N 1.05 -0.22 -0.22 0.81 1.63 -1.12 0.11 116.57 118.60 1s97 h LYS 131 Ca 0.22 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.00 1s97 h LYS 131 Cb 0.34 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1s97 h LYS 131 CO -0.00 -0.05 -0.05 0.82 -3.45 0.00 0.00 179.45 176.72 1s97 h ILE 132 N -0.36 1.17 -0.15 2.00 2.04 -1.26 0.69 117.51 121.64 1s97 h ILE 132 Ca -0.02 -0.69 -0.16 0.00 1.00 0.00 0.00 64.86 64.99 1s97 h ILE 132 Cb 0.28 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1s97 h ILE 132 CO 0.04 0.23 -0.56 0.25 0.00 0.00 0.00 178.15 178.10 1s97 h LEU 133 N 0.33 0.53 -0.21 1.44 5.85 -0.76 -1.18 115.31 121.30 1s97 h LEU 133 Ca 0.07 -0.29 -0.22 0.00 0.84 0.00 0.00 57.88 58.29 1s97 h LEU 133 Cb 0.30 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.19 1s97 h LEU 133 CO 0.01 0.98 -0.77 -0.08 -0.34 0.00 0.00 178.44 178.25 1s97 h GLU 134 N 0.36 0.71 0.10 1.25 4.81 -0.05 -0.50 114.58 121.27 1s97 h GLU 134 Ca 0.00 -0.58 -0.31 0.00 -0.13 0.00 0.00 59.36 58.34 1s97 h GLU 134 Cb 1.09 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1s97 h GLU 134 CO 0.10 1.20 -1.63 0.87 -0.73 0.00 0.00 179.01 178.82 1s97 h LYS 135 N 0.49 0.22 0.00 1.92 1.79 -0.90 -3.41 116.57 116.68 1s97 h LYS 135 Ca -0.05 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1s97 h LYS 135 Cb 1.39 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.18 1s97 h LYS 135 CO 0.15 1.05 0.00 0.39 -1.08 0.00 0.00 179.45 179.96 1s97 n GLU 136 N -3.40 0.45 -3.99 3.15 -0.58 -0.45 -5.01 120.64 110.80 1s97 n GLU 136 Ca -0.19 -0.67 -0.31 0.00 -0.42 0.00 0.00 57.16 55.56 1s97 n GLU 136 Cb 1.04 -0.82 0.01 0.00 -0.57 0.00 0.00 31.44 31.10 1s97 n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1s97 n LYS 137 N -0.14 -4.89 -4.94 3.49 4.76 -0.20 -4.96 118.16 111.29 1s97 n LYS 137 Ca 0.00 0.54 -0.28 0.00 -2.87 0.00 0.00 58.31 55.70 1s97 n LYS 137 Cb 0.19 -5.37 -0.17 0.00 -1.84 0.00 0.00 35.03 27.85 1s97 n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1s97 s ILE 138 N -3.32 1.63 0.15 -0.18 1.01 -1.24 -4.95 121.20 114.30 1s97 s ILE 138 Ca 0.65 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 1s97 s ILE 138 Cb -0.33 -1.43 -0.07 0.00 0.01 0.00 0.00 42.46 40.65 1s97 s ILE 138 CO 0.86 0.46 0.49 0.42 0.00 0.00 0.00 174.94 177.17 1s97 s THR 139 N 0.38 4.98 0.18 2.92 -4.23 -1.26 -3.68 115.64 114.93 1s97 s THR 139 Ca -0.14 0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 1s97 s THR 139 Cb -0.16 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 1s97 s THR 139 CO 0.06 0.14 0.09 0.68 -0.54 0.00 0.00 174.62 175.05 1s97 s VAL 140 N -1.57 0.14 -0.06 2.29 -7.23 -1.26 -2.48 120.40 110.23 1s97 s VAL 140 Ca 0.39 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1s97 s VAL 140 Cb -0.13 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1s97 s VAL 140 CO 0.20 -0.19 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.73 1s97 s THR 141 N -4.05 2.73 -0.12 5.32 2.01 -0.10 -3.75 115.64 117.69 1s97 s THR 141 Ca 0.33 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1s97 s THR 141 Cb 0.07 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1s97 s THR 141 CO 0.08 0.58 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.81 1s97 s VAL 142 N -0.44 3.43 -0.13 3.82 1.01 -0.56 -1.37 120.40 126.16 1s97 s VAL 142 Ca 0.05 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1s97 s VAL 142 Cb -0.12 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1s97 s VAL 142 CO 0.02 0.53 -0.18 -0.83 0.00 0.00 0.00 175.10 174.64 1s97 s GLY 143 N 0.07 1.44 -0.07 4.51 0.00 0.11 -1.17 107.32 112.21 1s97 s GLY 143 Ca -0.03 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.74 1s97 s GLY 143 CO 0.04 -0.17 -0.14 -0.42 0.00 0.00 0.00 173.10 172.40 1s97 s ILE 144 N 0.49 1.31 0.00 0.90 1.01 -0.24 0.88 121.20 125.55 1s97 s ILE 144 Ca -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1s97 s ILE 144 Cb -0.16 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1s97 s ILE 144 CO 0.05 0.39 0.00 -0.24 0.00 0.00 0.00 174.94 175.14 1s97 n SER 145 N 3.79 0.00 0.04 3.58 2.88 -1.00 -1.04 113.62 121.87 1s97 n SER 145 Ca -0.22 -0.92 0.13 0.00 -1.33 0.00 0.00 58.87 56.53 1s97 n SER 145 Cb 0.52 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.51 1s97 n SER 145 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1s97 n LYS 146 N 0.00 0.09 -3.89 -1.46 2.85 -1.26 -1.23 118.16 113.26 1s97 n LYS 146 Ca 0.00 0.10 -0.08 0.00 -1.05 0.00 0.00 58.31 57.28 1s97 n LYS 146 Cb 0.00 -1.61 -0.03 0.00 -0.65 0.00 0.00 35.03 32.73 1s97 n LYS 146 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1s97 s ASN 147 N -3.55 -0.21 0.15 -5.58 2.20 -1.26 -4.57 114.94 102.12 1s97 s ASN 147 Ca 0.12 -0.70 -0.19 0.00 -0.94 0.00 0.00 52.86 51.15 1s97 s ASN 147 Cb 0.16 0.67 0.03 0.00 -2.00 0.00 0.00 41.25 40.11 1s97 s ASN 147 CO 0.53 -1.25 1.68 0.11 -2.94 0.00 0.00 177.10 175.23 1s97 h LYS 148 N 2.10 -0.06 -0.12 3.55 1.57 -1.91 -1.86 116.57 119.84 1s97 h LYS 148 Ca -0.22 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1s97 h LYS 148 Cb 1.25 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 1s97 h LYS 148 CO 0.29 -0.04 -0.10 0.28 -0.57 0.00 0.00 179.45 179.30 1s97 h VAL 149 N -0.06 0.70 0.00 0.50 2.07 -1.98 0.17 116.25 117.66 1s97 h VAL 149 Ca 0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 1s97 h VAL 149 Cb 0.27 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1s97 h VAL 149 CO -0.31 0.00 -0.26 -0.26 0.02 0.00 0.00 177.57 176.76 1s97 h PHE 150 N -0.12 0.00 -0.44 1.57 0.04 -1.97 -0.77 116.94 115.26 1s97 h PHE 150 Ca 0.08 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.71 1s97 h PHE 150 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1s97 h PHE 150 CO -0.22 0.26 -0.28 0.00 -0.60 0.00 0.00 178.31 177.47 1s97 h ALA 151 N 1.74 0.67 0.10 2.45 0.00 -0.70 0.15 119.26 123.68 1s97 h ALA 151 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1s97 h ALA 151 Cb 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1s97 h ALA 151 CO 0.03 0.67 -0.05 -0.22 0.00 0.00 0.00 179.25 179.69 1s97 h LYS 152 N 0.81 -0.14 -0.70 0.00 3.64 -0.49 -2.55 116.57 117.14 1s97 h LYS 152 Ca 0.09 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.60 1s97 h LYS 152 Cb 0.86 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.63 1s97 h LYS 152 CO 0.08 0.22 0.29 0.82 -2.27 0.00 0.00 179.45 178.59 1s97 h ILE 153 N -0.51 0.73 -0.97 2.00 2.04 -1.08 0.24 117.51 119.94 1s97 h ILE 153 Ca -0.01 -0.16 0.17 0.00 1.00 0.00 0.00 64.86 65.86 1s97 h ILE 153 Cb 0.42 0.22 -0.09 0.00 -0.74 0.00 0.00 36.82 36.63 1s97 h ILE 153 CO 0.02 0.08 0.61 0.00 0.00 0.00 0.00 178.15 178.87 1s97 h ALA 154 N 1.49 1.76 -0.15 1.87 0.00 -0.52 0.68 119.26 124.38 1s97 h ALA 154 Ca 0.37 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.16 1s97 h ALA 154 Cb 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s97 h ALA 154 CO -0.35 -0.08 -0.61 0.00 0.00 0.00 0.00 179.25 178.21 1s97 h ALA 155 N 1.61 0.65 -0.49 0.00 0.00 -0.16 -2.66 119.26 118.22 1s97 h ALA 155 Ca 0.53 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1s97 h ALA 155 Cb 0.85 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1s97 h ALA 155 CO -0.30 0.71 0.23 -0.44 0.00 0.00 0.00 179.25 179.45 1s97 h ASP 156 N 0.39 0.61 0.38 0.00 3.32 0.26 0.14 116.42 121.51 1s97 h ASP 156 Ca -0.01 -0.05 -0.20 0.00 0.02 0.00 0.00 57.03 56.79 1s97 h ASP 156 Cb 1.16 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1s97 h ASP 156 CO 0.11 0.52 -0.82 0.24 -1.72 0.00 0.00 179.24 177.57 1s97 h MET 157 N 0.68 0.34 0.00 3.56 2.86 -1.25 -3.31 114.93 117.81 1s97 h MET 157 Ca 0.17 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1s97 h MET 157 Cb 0.08 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1s97 h MET 157 CO -0.02 0.99 -0.80 0.00 1.06 0.00 0.00 176.91 178.14 1s97 h ALA 158 N 0.90 0.55 -1.95 6.32 0.00 -1.11 -3.48 119.26 120.49 1s97 h ALA 158 Ca -0.05 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.25 1s97 h ALA 158 Cb 1.43 0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.31 1s97 h ALA 158 CO 0.14 0.00 0.26 1.17 0.00 0.00 0.00 179.25 180.81 1s97 n LYS 159 N -2.44 1.39 -3.14 0.00 4.81 0.00 -3.44 118.16 115.35 1s97 n LYS 159 Ca 0.02 0.49 -0.20 0.00 -0.87 0.00 0.00 58.31 57.74 1s97 n LYS 159 Cb 0.50 -1.95 0.05 0.00 0.02 0.00 0.00 35.03 33.65 1s97 n LYS 159 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1s97 s PRO 160 N -0.97 2.28 -1.86 1.64 0.04 -1.26 -4.91 135.00 129.97 1s97 s PRO 160 Ca 0.65 -1.70 -0.22 0.00 0.04 0.00 0.00 61.00 59.77 1s97 s PRO 160 Cb -0.75 -2.58 0.22 0.00 0.04 0.00 0.00 34.50 31.44 1s97 s PRO 160 CO 0.56 -0.85 0.57 -1.71 0.04 0.00 0.00 177.00 175.60 1s97 n ASN 161 N -2.20 -1.69 -2.10 6.66 4.05 -1.26 -4.90 115.26 113.82 1s97 n ASN 161 Ca 0.14 -1.24 -0.01 0.00 0.45 0.00 0.00 54.58 53.91 1s97 n ASN 161 Cb 0.62 -1.63 -0.00 0.00 1.23 0.00 0.00 39.78 39.99 1s97 n ASN 161 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1s97 n GLY 162 N -1.17 4.04 3.62 8.20 0.00 -1.22 -4.95 105.19 113.71 1s97 n GLY 162 Ca 0.09 -2.21 -0.04 0.00 0.00 0.00 0.00 46.02 43.86 1s97 n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s97 s ILE 163 N -0.95 -0.17 0.03 -0.61 2.07 -1.26 -1.50 121.20 118.81 1s97 s ILE 163 Ca 0.00 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 1s97 s ILE 163 Cb -0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 1s97 s ILE 163 CO 0.00 0.00 -0.05 -0.75 -1.91 0.00 0.00 174.94 172.23 1s97 s LYS 164 N 1.76 0.41 -0.09 3.50 2.36 -0.32 -4.96 119.74 122.41 1s97 s LYS 164 Ca -0.08 -0.71 0.04 0.00 -2.55 0.00 0.00 55.97 52.67 1s97 s LYS 164 Cb -0.05 -0.02 -0.00 0.00 -1.05 0.00 0.00 37.83 36.70 1s97 s LYS 164 CO -0.18 -0.02 -0.23 0.08 1.55 0.00 0.00 175.35 176.55 1s97 s VAL 165 N -1.63 1.95 -0.67 4.02 1.01 -1.26 -1.08 120.40 122.73 1s97 s VAL 165 Ca -0.12 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1s97 s VAL 165 Cb -0.09 -1.69 0.17 0.00 0.00 0.00 0.00 36.38 34.78 1s97 s VAL 165 CO -0.01 0.54 0.48 -0.63 0.00 0.00 0.00 175.10 175.47 1s97 s ILE 166 N 0.26 3.35 1.17 2.22 1.01 -0.20 -5.00 121.20 124.01 1s97 s ILE 166 Ca -0.15 -3.58 -0.14 0.00 0.00 0.00 0.00 60.65 56.78 1s97 s ILE 166 Cb -0.17 -3.19 0.28 0.00 0.01 0.00 0.00 42.46 39.39 1s97 s ILE 166 CO 0.07 -0.93 1.03 1.51 0.00 0.00 0.00 174.94 176.62 1s97 s ASP 167 N -0.29 1.01 0.54 3.58 1.47 -1.26 -4.38 116.67 117.33 1s97 s ASP 167 Ca 0.21 1.35 0.36 0.00 1.18 0.00 0.00 52.55 55.65 1s97 s ASP 167 Cb -0.15 -2.09 1.53 0.00 -0.34 0.00 0.00 42.92 41.87 1s97 s ASP 167 CO -0.08 -4.16 1.81 0.44 0.68 0.00 0.00 175.17 173.87 1s97 h ASP 168 N -2.59 0.02 0.20 2.11 5.19 -2.00 -0.25 116.42 119.09 1s97 h ASP 168 Ca -0.60 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 55.52 1s97 h ASP 168 Cb 1.34 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.88 1s97 h ASP 168 CO 0.51 0.00 -1.29 -0.33 -3.12 0.00 0.00 179.24 175.01 1s97 h GLU 169 N 0.01 0.52 -0.13 3.56 4.39 -1.99 -2.73 114.58 118.21 1s97 h GLU 169 Ca 0.55 -0.83 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 1s97 h GLU 169 Cb 2.17 0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 31.11 1s97 h GLU 169 CO -0.02 1.39 0.08 0.93 -1.16 0.00 0.00 179.01 180.23 1s97 h GLU 170 N 0.08 0.18 0.49 2.33 4.39 -1.38 0.25 114.58 120.91 1s97 h GLU 170 Ca -0.22 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 1s97 h GLU 170 Cb 2.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 1s97 h GLU 170 CO 0.24 0.13 -0.23 0.28 -1.16 0.00 0.00 179.01 178.27 1s97 h VAL 171 N 0.18 0.00 -0.33 3.13 2.07 -1.31 0.15 116.25 120.15 1s97 h VAL 171 Ca 0.05 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.42 1s97 h VAL 171 Cb -0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 1s97 h VAL 171 CO -0.01 0.00 0.35 0.11 0.02 0.00 0.00 177.57 178.04 1s97 h LYS 172 N -0.90 0.00 0.33 1.57 1.57 -1.24 0.26 116.57 118.16 1s97 h LYS 172 Ca -0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1s97 h LYS 172 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1s97 h LYS 172 CO 0.11 0.00 -0.16 -0.09 -0.57 0.00 0.00 179.45 178.74 1s97 h ARG 173 N 0.00 -0.43 -0.07 3.15 1.12 -0.28 -3.30 114.38 114.58 1s97 h ARG 173 Ca 0.16 0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 59.00 1s97 h ARG 173 Cb 0.85 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.89 1s97 h ARG 173 CO -0.00 -0.13 -0.23 -0.07 -3.11 0.00 0.00 179.97 176.44 1s97 h LEU 174 N -0.99 0.11 -2.13 3.80 3.38 0.71 -1.29 115.31 118.90 1s97 h LEU 174 Ca -0.05 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1s97 h LEU 174 Cb 0.50 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1s97 h LEU 174 CO 0.07 0.34 0.27 0.40 0.09 0.00 0.00 178.44 179.62 1s97 h ILE 175 N 0.10 0.51 0.00 1.22 2.04 -0.62 0.72 117.51 121.48 1s97 h ILE 175 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1s97 h ILE 175 Cb 0.46 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1s97 h ILE 175 CO 0.03 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.07 1s97 n ARG 176 N -3.89 0.26 0.00 2.37 1.85 -1.01 -1.38 116.66 114.85 1s97 n ARG 176 Ca 0.04 -0.80 0.00 0.00 -1.00 0.00 0.00 57.85 56.09 1s97 n ARG 176 Cb 0.42 -0.99 0.00 0.00 -1.05 0.00 0.00 32.46 30.84 1s97 n ARG 176 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1s97 n GLU 177 N -0.15 3.24 -3.38 2.89 0.00 -0.52 -4.95 120.64 117.77 1s97 n GLU 177 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 57.16 56.73 1s97 n GLU 177 Cb 0.09 -0.37 -0.06 0.00 0.00 0.00 0.00 31.44 31.09 1s97 n GLU 177 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1s97 s LEU 178 N -0.95 4.40 -0.55 4.31 2.96 0.24 -4.95 118.68 124.14 1s97 s LEU 178 Ca 0.00 0.96 -0.26 0.00 -0.22 0.00 0.00 54.13 54.61 1s97 s LEU 178 Cb 0.00 -2.69 -0.07 0.00 0.50 0.00 0.00 46.19 43.93 1s97 s LEU 178 CO 0.00 0.18 2.31 -0.62 -1.32 0.00 0.00 176.35 176.90 1s97 s ASP 179 N -0.37 4.53 0.00 3.68 3.68 -1.26 -4.31 116.67 122.62 1s97 s ASP 179 Ca 0.26 0.82 0.00 0.00 2.13 0.00 0.00 52.55 55.76 1s97 s ASP 179 Cb -0.17 -2.51 0.00 0.00 -1.45 0.00 0.00 42.92 38.79 1s97 s ASP 179 CO 0.13 -2.89 0.50 0.00 0.13 0.00 0.00 175.17 173.03 1s97 n ILE 180 N 7.94 0.45 0.73 4.11 3.06 0.85 0.24 119.36 136.75 1s97 n ILE 180 Ca 0.35 0.32 0.12 0.00 -2.50 0.00 0.00 62.75 61.04 1s97 n ILE 180 Cb 0.53 -1.32 0.26 0.00 0.54 0.00 0.00 39.64 39.66 1s97 n ILE 180 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1s97 n ALA 181 N -1.00 2.96 1.02 1.51 0.00 -1.26 -3.55 120.51 120.19 1s97 n ALA 181 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.32 1s97 n ALA 181 Cb 0.20 -1.22 0.22 0.00 0.00 0.00 0.00 19.45 18.65 1s97 n ALA 181 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s97 n ASP 182 N -1.90 0.61 -4.69 0.00 9.92 0.14 -4.76 116.55 115.86 1s97 n ASP 182 Ca 0.04 -0.39 -0.42 0.00 -0.53 0.00 0.00 54.79 53.49 1s97 n ASP 182 Cb 0.40 0.33 -0.03 0.00 -0.64 0.00 0.00 41.12 41.18 1s97 n ASP 182 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1s97 s VAL 183 N -2.96 3.43 0.30 2.53 1.01 -1.23 -4.92 120.40 118.57 1s97 s VAL 183 Ca 0.12 0.85 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 1s97 s VAL 183 Cb 0.17 -3.55 -0.13 0.00 0.00 0.00 0.00 36.38 32.88 1s97 s VAL 183 CO 0.70 -0.00 1.35 -0.81 0.00 0.00 0.00 175.10 176.34 1s97 n PRO 184 N 5.42 2.14 0.00 2.72 -0.04 -1.26 -2.14 135.00 141.84 1s97 n PRO 184 Ca 0.14 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 1s97 n PRO 184 Cb 0.42 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1s97 n PRO 184 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s97 n GLY 185 N 1.32 0.16 3.11 0.55 0.00 -1.26 -5.04 105.19 104.04 1s97 n GLY 185 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1s97 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s97 s ILE 186 N -2.00 3.38 0.44 -0.61 -1.09 -0.91 -5.05 121.20 115.37 1s97 s ILE 186 Ca 0.00 -2.31 -0.01 0.00 -2.23 0.00 0.00 60.65 56.10 1s97 s ILE 186 Cb 0.00 -3.29 0.09 0.00 -1.58 0.00 0.00 42.46 37.68 1s97 s ILE 186 CO 0.00 -0.74 0.61 0.61 -1.23 0.00 0.00 174.94 174.19 1s97 n GLY 187 N 4.29 0.44 0.33 6.18 0.00 -1.26 -4.69 105.19 110.49 1s97 n GLY 187 Ca 0.00 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.15 1s97 n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s97 h ASN 188 N -0.43 0.40 -0.42 1.61 4.21 -1.96 0.28 115.58 119.27 1s97 h ASN 188 Ca -0.20 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.27 1s97 h ASN 188 Cb 0.71 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.81 1s97 h ASN 188 CO 0.20 0.26 0.10 0.40 -1.29 0.00 0.00 177.43 177.11 1s97 h ILE 189 N 0.46 1.23 0.00 2.81 1.08 -1.98 0.84 117.51 121.95 1s97 h ILE 189 Ca 0.22 -0.79 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1s97 h ILE 189 Cb 0.29 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1s97 h ILE 189 CO -0.06 0.28 -0.10 0.74 -0.69 0.00 0.00 178.15 178.32 1s97 h THR 190 N 0.53 0.00 0.00 -0.27 2.02 -1.80 -2.91 112.91 110.48 1s97 h THR 190 Ca 0.13 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1s97 h THR 190 Cb 0.31 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1s97 h THR 190 CO 0.00 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.76 1s97 h ALA 191 N 2.25 0.00 -0.62 6.16 0.00 0.02 -2.75 119.26 124.31 1s97 h ALA 191 Ca 0.00 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1s97 h ALA 191 Cb 0.88 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1s97 h ALA 191 CO 0.00 0.13 0.43 1.49 0.00 0.00 0.00 179.25 181.30 1s97 h GLU 192 N -0.83 0.27 -0.00 0.00 4.57 0.56 1.83 114.58 120.97 1s97 h GLU 192 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1s97 h GLU 192 Cb 0.13 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1s97 h GLU 192 CO 0.00 0.18 -0.03 1.63 -1.18 0.00 0.00 179.01 179.61 1s97 n LYS 193 N -4.45 0.42 -0.05 1.92 4.01 -1.10 -2.69 118.16 116.22 1s97 n LYS 193 Ca 0.11 -0.04 -0.22 0.00 -0.51 0.00 0.00 58.31 57.66 1s97 n LYS 193 Cb 0.50 -1.50 -0.13 0.00 -0.51 0.00 0.00 35.03 33.39 1s97 n LYS 193 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 1s97 n LEU 194 N -1.26 2.34 0.27 -0.35 -0.00 0.60 -3.90 117.00 114.70 1s97 n LEU 194 Ca 0.13 0.28 0.11 0.00 -0.00 0.00 0.00 56.01 56.53 1s97 n LEU 194 Cb 0.26 -1.04 0.74 0.00 -0.00 0.00 0.00 43.42 43.37 1s97 n LEU 194 CO 0.24 0.63 1.05 0.11 -0.00 0.00 0.00 177.39 179.43 1s97 h LYS 195 N -0.37 0.00 -1.91 1.47 1.57 -0.84 -1.63 116.57 114.86 1s97 h LYS 195 Ca -0.42 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.15 1s97 h LYS 195 Cb 1.74 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.97 1s97 h LYS 195 CO -0.05 0.04 0.02 1.63 -0.57 0.00 0.00 179.45 180.52 1s97 n LYS 196 N -4.13 1.73 0.00 3.15 5.02 -1.10 -1.42 118.16 121.42 1s97 n LYS 196 Ca -0.03 -1.04 0.00 0.00 -2.02 0.00 0.00 58.31 55.22 1s97 n LYS 196 Cb 0.13 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1s97 n LYS 196 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1s97 n LEU 197 N 1.51 0.00 0.00 -0.35 7.94 -0.67 -4.99 117.00 120.44 1s97 n LEU 197 Ca 0.29 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 1s97 n LEU 197 Cb 0.66 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.61 1s97 n LEU 197 CO 0.17 0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.11 1s97 n GLY 198 N 0.00 1.60 3.72 -3.96 0.00 -0.51 -4.99 105.19 101.06 1s97 n GLY 198 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1s97 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s97 s ILE 199 N -2.71 3.28 0.00 -0.61 1.09 -1.10 -4.88 121.20 116.28 1s97 s ILE 199 Ca 0.00 0.96 0.00 0.00 -1.10 0.00 0.00 60.65 60.51 1s97 s ILE 199 Cb 0.00 -3.62 0.00 0.00 -1.06 0.00 0.00 42.46 37.78 1s97 s ILE 199 CO 0.00 0.10 0.00 0.59 -0.10 0.00 0.00 174.94 175.53 1s97 n ASN 200 N 3.49 0.00 -4.11 3.58 4.13 -1.26 -4.26 115.26 116.83 1s97 n ASN 200 Ca 0.10 -0.29 -0.19 0.00 1.68 0.00 0.00 54.58 55.87 1s97 n ASN 200 Cb 0.42 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.53 1s97 n ASN 200 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1s97 s LYS 201 N 0.00 0.86 0.62 3.52 -0.14 -1.26 -0.10 119.74 123.23 1s97 s LYS 201 Ca 0.00 -0.66 0.29 0.00 -1.36 0.00 0.00 55.97 54.24 1s97 s LYS 201 Cb 0.00 -0.83 1.58 0.00 -1.68 0.00 0.00 37.83 36.90 1s97 s LYS 201 CO 0.00 0.21 1.94 -0.07 -0.76 0.00 0.00 175.35 176.67 1s97 h LEU 202 N 5.11 0.00 -0.73 3.17 3.38 -1.71 0.33 115.31 124.85 1s97 h LEU 202 Ca -0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1s97 h LEU 202 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1s97 h LEU 202 CO 0.45 0.00 0.34 -0.37 0.09 0.00 0.00 178.44 178.95 1s97 h VAL 203 N 0.00 1.24 0.00 1.22 -1.51 -1.58 -3.07 116.25 112.55 1s97 h VAL 203 Ca 0.10 -0.69 -0.08 0.00 -1.23 0.00 0.00 66.70 64.80 1s97 h VAL 203 Cb 0.84 0.34 -0.03 0.00 -2.13 0.00 0.00 31.29 30.30 1s97 h VAL 203 CO -0.00 0.29 -0.05 0.47 -1.23 0.00 0.00 177.57 177.04 1s97 n ASP 204 N -4.40 3.42 0.00 4.19 8.00 0.12 -1.92 116.55 125.96 1s97 n ASP 204 Ca 0.06 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1s97 n ASP 204 Cb 0.14 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 1s97 n ASP 204 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1s97 n THR 205 N 2.35 0.00 0.06 -3.53 -1.04 -1.16 -4.65 114.28 106.31 1s97 n THR 205 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1s97 n THR 205 Cb 0.51 -0.15 -0.06 0.00 -1.82 0.00 0.00 70.33 68.81 1s97 n THR 205 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1s97 h LEU 206 N 0.00 0.00 0.38 -4.42 3.38 -1.59 -3.38 115.31 109.68 1s97 h LEU 206 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1s97 h LEU 206 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1s97 h LEU 206 CO 0.00 0.58 -0.18 0.28 0.09 0.00 0.00 178.44 179.21 1s97 h SER 207 N 0.00 -0.43 -4.18 -0.43 0.02 -1.85 -3.45 113.55 103.23 1s97 h SER 207 Ca -0.12 0.01 -0.54 0.00 -0.84 0.00 0.00 61.79 60.31 1s97 h SER 207 Cb 1.55 0.11 0.18 0.00 0.14 0.00 0.00 62.40 64.38 1s97 h SER 207 CO 0.05 -0.10 0.34 -0.38 -1.14 0.00 0.00 176.83 175.61 1s97 n ILE 208 N -4.51 2.23 -2.55 3.27 -0.00 -1.26 -4.99 119.36 111.56 1s97 n ILE 208 Ca -0.06 -0.23 -0.32 0.00 -0.00 0.00 0.00 62.75 62.14 1s97 n ILE 208 Cb 0.20 -1.22 -0.04 0.00 -0.00 0.00 0.00 39.64 38.58 1s97 n ILE 208 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 1s97 s GLU 209 N -4.06 3.98 0.04 0.38 1.03 -1.26 -4.89 118.70 113.92 1s97 s GLU 209 Ca 0.74 0.91 -0.30 0.00 0.03 0.00 0.00 54.97 56.36 1s97 s GLU 209 Cb -0.30 -2.18 -0.17 0.00 -0.80 0.00 0.00 34.13 30.67 1s97 s GLU 209 CO 0.50 -0.19 1.43 0.35 -1.33 0.00 0.00 175.26 176.03 1s97 h PHE 210 N 1.17 -0.71 -0.97 4.83 3.04 -1.94 -2.97 116.94 119.39 1s97 h PHE 210 Ca -0.47 -0.02 0.25 0.00 3.98 0.00 0.00 57.97 61.71 1s97 h PHE 210 Cb 1.18 0.23 -0.06 0.00 2.56 0.00 0.00 35.95 39.86 1s97 h PHE 210 CO 0.63 -0.39 0.66 -0.44 -2.02 0.00 0.00 178.31 176.75 1s97 h ASP 211 N -0.91 0.27 -0.53 0.41 5.19 -1.97 1.11 116.42 120.00 1s97 h ASP 211 Ca -0.08 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 1s97 h ASP 211 Cb 0.64 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 1s97 h ASP 211 CO 0.13 0.08 0.21 0.11 -3.12 0.00 0.00 179.24 176.65 1s97 h LYS 212 N 0.25 0.79 0.34 3.56 1.57 -1.94 0.45 116.57 121.59 1s97 h LYS 212 Ca 0.50 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1s97 h LYS 212 Cb 1.53 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1s97 h LYS 212 CO -0.15 0.69 -0.16 1.25 -0.57 0.00 0.00 179.45 180.51 1s97 h LEU 213 N 0.71 -0.39 -1.31 2.94 5.85 0.14 0.23 115.31 123.48 1s97 h LEU 213 Ca 0.18 0.01 0.22 0.00 0.84 0.00 0.00 57.88 59.13 1s97 h LEU 213 Cb 0.19 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 1s97 h LEU 213 CO -0.02 -0.19 0.62 0.50 -0.34 0.00 0.00 178.44 179.02 1s97 h LYS 214 N -0.64 0.51 0.07 1.25 3.64 -1.35 0.26 116.57 120.31 1s97 h LYS 214 Ca -0.05 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.06 1s97 h LYS 214 Cb 0.35 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1s97 h LYS 214 CO 0.08 0.34 -1.08 0.78 -2.27 0.00 0.00 179.45 177.29 1s97 h GLY 215 N 0.52 0.30 0.86 5.01 0.00 -0.14 -1.30 103.07 108.33 1s97 h GLY 215 Ca 0.54 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1s97 h GLY 215 CO -0.27 0.57 0.04 1.98 0.00 0.00 0.00 176.54 178.86 1s97 h MET 216 N 0.11 0.41 0.00 4.80 1.85 0.16 -3.38 114.93 118.88 1s97 h MET 216 Ca -0.09 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 58.88 1s97 h MET 216 Cb 1.77 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.76 1s97 h MET 216 CO 0.18 0.54 0.00 0.44 -0.40 0.00 0.00 176.91 177.67 1s97 n ILE 217 N -4.69 0.32 0.00 1.77 -6.64 -0.88 -5.08 119.36 104.17 1s97 n ILE 217 Ca -0.03 -0.40 0.00 0.00 -1.77 0.00 0.00 62.75 60.55 1s97 n ILE 217 Cb 0.20 1.02 0.00 0.00 -1.44 0.00 0.00 39.64 39.42 1s97 n ILE 217 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1s97 n GLY 218 N -0.16 2.44 0.14 3.28 0.00 -0.49 -4.22 105.19 106.18 1s97 n GLY 218 Ca 0.00 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.36 1s97 n GLY 218 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s97 n GLU 219 N 1.37 0.15 -0.08 1.61 2.13 -1.23 -1.92 120.64 122.68 1s97 n GLU 219 Ca 0.00 0.54 -0.08 0.00 0.66 0.00 0.00 57.16 58.28 1s97 n GLU 219 Cb 0.00 -1.89 -0.04 0.00 0.27 0.00 0.00 31.44 29.78 1s97 n GLU 219 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s97 h ALA 220 N 2.11 0.06 0.00 4.31 0.00 -1.91 -2.91 119.26 120.91 1s97 h ALA 220 Ca 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 1s97 h ALA 220 Cb 0.13 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1s97 h ALA 220 CO 0.00 0.50 -0.01 0.87 0.00 0.00 0.00 179.25 180.61 1s97 h LYS 221 N -1.00 0.00 0.00 0.00 1.79 -1.72 -1.70 116.57 113.95 1s97 h LYS 221 Ca -0.08 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1s97 h LYS 221 Cb 0.65 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1s97 h LYS 221 CO -0.05 0.01 -0.13 0.00 -1.08 0.00 0.00 179.45 178.21 1s97 h ALA 222 N 1.99 0.01 -0.96 3.86 0.00 -1.55 -3.20 119.26 119.40 1s97 h ALA 222 Ca -0.00 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 54.96 1s97 h ALA 222 Cb 0.09 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1s97 h ALA 222 CO 0.00 0.11 0.64 1.57 0.00 0.00 0.00 179.25 181.58 1s97 h LYS 223 N -1.00 0.30 0.00 0.00 5.09 -1.38 -0.62 116.57 118.96 1s97 h LYS 223 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.71 1s97 h LYS 223 Cb 0.25 -0.07 0.00 0.00 0.10 0.00 0.00 32.23 32.51 1s97 h LYS 223 CO -0.01 0.20 0.00 0.98 -2.09 0.00 0.00 179.45 178.53 1s97 n TYR 224 N -4.48 0.00 0.18 0.07 9.36 -0.65 -2.17 117.16 119.47 1s97 n TYR 224 Ca 0.21 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.60 1s97 n TYR 224 Cb 0.83 -0.46 0.80 0.00 -0.63 0.00 0.00 39.34 39.88 1s97 n TYR 224 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1s97 h LEU 225 N 0.00 0.00 -0.11 2.98 3.38 -1.43 -1.38 115.31 118.75 1s97 h LEU 225 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s97 h LEU 225 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1s97 h LEU 225 CO 0.00 0.00 0.04 0.40 0.09 0.00 0.00 178.44 178.97 1s97 h ILE 226 N 0.00 1.17 -0.49 1.22 2.04 -1.00 0.22 117.51 120.65 1s97 h ILE 226 Ca 0.10 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1s97 h ILE 226 Cb 0.52 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1s97 h ILE 226 CO -0.00 0.15 0.28 0.28 0.00 0.00 0.00 178.15 178.85 1s97 h SER 227 N -0.01 0.61 0.90 1.72 0.02 -0.75 -0.23 113.55 115.82 1s97 h SER 227 Ca 0.03 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1s97 h SER 227 Cb 0.20 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.59 1s97 h SER 227 CO -0.00 0.52 -0.46 -0.07 -1.14 0.00 0.00 176.83 175.68 1s97 h LEU 228 N 0.66 -1.11 -0.44 5.07 4.07 -1.29 0.57 115.31 122.84 1s97 h LEU 228 Ca 0.17 0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.24 1s97 h LEU 228 Cb 0.04 0.30 -0.09 0.00 1.08 0.00 0.00 40.66 41.99 1s97 h LEU 228 CO -0.03 -0.76 -0.52 0.00 -1.08 0.00 0.00 178.44 176.05 1s97 h ALA 229 N -1.37 -0.66 0.00 1.53 0.00 -0.47 0.88 119.26 119.17 1s97 h ALA 229 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1s97 h ALA 229 Cb 0.96 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1s97 h ALA 229 CO 0.19 -0.99 0.00 0.54 0.00 0.00 0.00 179.25 178.99 1s97 n ARG 230 N -5.39 0.22 -3.63 0.00 1.74 -0.11 -4.81 116.66 104.69 1s97 n ARG 230 Ca -0.02 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.88 1s97 n ARG 230 Cb 0.34 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.35 1s97 n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1s97 n ASP 231 N -1.07 -4.02 -0.61 0.55 -0.08 0.31 -4.90 116.55 106.73 1s97 n ASP 231 Ca 0.06 -0.65 0.04 0.00 -1.51 0.00 0.00 54.79 52.72 1s97 n ASP 231 Cb 0.04 -4.69 0.07 0.00 2.34 0.00 0.00 41.12 38.87 1s97 n ASP 231 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1s97 n GLU 232 N -4.58 0.53 -2.73 -0.67 0.28 0.19 -5.01 120.64 108.64 1s97 n GLU 232 Ca -0.12 -1.91 -0.42 0.00 -0.16 0.00 0.00 57.16 54.56 1s97 n GLU 232 Cb 0.60 -0.79 -0.04 0.00 1.43 0.00 0.00 31.44 32.65 1s97 n GLU 232 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1s97 s TYR 233 N -1.14 3.72 -0.25 -1.84 5.04 -0.93 -4.90 117.35 117.04 1s97 s TYR 233 Ca 0.20 1.72 0.16 0.00 -2.44 0.00 0.00 57.07 56.71 1s97 s TYR 233 Cb 0.20 -3.08 0.40 0.00 0.35 0.00 0.00 41.96 39.82 1s97 s TYR 233 CO -0.04 0.08 1.32 0.27 -1.34 0.00 0.00 175.55 175.85 1s97 n ASN 234 N 3.44 -0.28 -4.63 4.32 2.04 -1.26 -4.87 115.26 114.02 1s97 n ASN 234 Ca 0.04 -2.12 -0.51 0.00 -0.44 0.00 0.00 54.58 51.56 1s97 n ASN 234 Cb 0.50 0.21 -0.06 0.00 -2.53 0.00 0.00 39.78 37.90 1s97 n ASN 234 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1s97 n GLU 235 N -0.93 1.51 -0.92 -3.83 -0.58 -1.26 -4.92 120.64 109.71 1s97 n GLU 235 Ca -0.10 0.55 -0.30 0.00 -0.42 0.00 0.00 57.16 56.89 1s97 n GLU 235 Cb 0.85 -2.24 0.16 0.00 -0.57 0.00 0.00 31.44 29.64 1s97 n GLU 235 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1s97 s PRO 236 N 1.27 1.02 -0.41 3.49 0.02 -1.26 -4.73 135.00 134.40 1s97 s PRO 236 Ca 0.85 1.18 -0.22 0.00 0.02 0.00 0.00 61.00 62.83 1s97 s PRO 236 Cb -0.87 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 31.91 1s97 s PRO 236 CO 0.47 -2.50 0.71 0.42 -0.33 0.00 0.00 177.00 175.76 1s97 s ILE 237 N -2.74 4.77 0.04 2.83 -1.09 -1.26 -5.04 121.20 118.71 1s97 s ILE 237 Ca 0.65 0.43 0.04 0.00 -2.23 0.00 0.00 60.65 59.55 1s97 s ILE 237 Cb -0.21 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 1s97 s ILE 237 CO 0.58 -0.55 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.55 1s97 s ARG 238 N 2.99 2.44 0.24 2.79 0.52 -1.26 -4.78 118.95 121.89 1s97 s ARG 238 Ca 0.27 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 1s97 s ARG 238 Cb -0.13 -2.46 -0.10 0.00 0.52 0.00 0.00 34.95 32.79 1s97 s ARG 238 CO 0.19 0.57 1.37 0.99 0.02 0.00 0.00 175.30 178.43 1s97 s THR 239 N -1.10 2.90 0.17 0.02 2.01 -1.26 -4.19 115.64 114.20 1s97 s THR 239 Ca 0.19 0.77 -0.26 0.00 0.31 0.00 0.00 61.69 62.70 1s97 s THR 239 Cb -0.11 -3.49 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 1s97 s THR 239 CO 0.11 0.13 0.81 -0.60 -0.69 0.00 0.00 174.62 174.38 1s97 s ARG 240 N -0.46 4.62 -0.11 4.92 3.52 -1.26 -5.01 118.95 125.17 1s97 s ARG 240 Ca 0.57 1.22 0.01 0.00 -0.13 0.00 0.00 55.73 57.40 1s97 s ARG 240 Cb -0.39 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 29.74 1s97 s ARG 240 CO 0.42 0.54 -0.12 0.08 -0.81 0.00 0.00 175.30 175.41 1s97 s VAL 241 N -1.07 1.28 0.18 7.11 1.01 -1.26 -4.99 120.40 122.66 1s97 s VAL 241 Ca 0.37 -0.49 -0.32 0.00 0.00 0.00 0.00 61.98 61.54 1s97 s VAL 241 Cb -0.24 -1.21 -0.11 0.00 0.00 0.00 0.00 36.38 34.82 1s97 s VAL 241 CO 0.27 0.40 1.65 -0.13 0.00 0.00 0.00 175.10 177.30 1s97 s ARG 242 N 1.24 4.17 -0.16 2.72 0.52 -1.26 -4.90 118.95 121.29 1s97 s ARG 242 Ca -0.02 2.48 -0.07 0.00 -0.52 0.00 0.00 55.73 57.59 1s97 s ARG 242 Cb -0.14 -3.17 -0.24 0.00 0.52 0.00 0.00 34.95 31.93 1s97 s ARG 242 CO -0.04 -0.69 0.23 1.63 0.02 0.00 0.00 175.30 176.45 1s97 n LYS 243 N 4.16 0.72 -4.15 3.54 4.76 -1.26 -4.98 118.16 120.95 1s97 n LYS 243 Ca 0.15 0.28 -0.10 0.00 -2.87 0.00 0.00 58.31 55.77 1s97 n LYS 243 Cb 0.37 -1.68 -0.10 0.00 -1.84 0.00 0.00 35.03 31.79 1s97 n LYS 243 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1s97 s SER 244 N -6.95 0.36 -0.17 4.39 1.04 -1.26 -3.52 113.70 107.60 1s97 s SER 244 Ca -0.26 -1.19 -0.10 0.00 0.48 0.00 0.00 55.95 54.89 1s97 s SER 244 Cb 0.07 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.53 1s97 s SER 244 CO 0.72 -0.71 0.40 -0.63 0.98 0.00 0.00 173.24 174.00 1s97 s ILE 245 N -4.02 -0.02 0.15 -1.02 1.01 0.27 -4.99 121.20 112.58 1s97 s ILE 245 Ca 0.23 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 1s97 s ILE 245 Cb 0.07 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.95 1s97 s ILE 245 CO 0.01 0.03 0.22 0.61 0.00 0.00 0.00 174.94 175.81 1s97 n GLY 246 N 4.11 2.57 3.39 6.18 0.00 -1.26 -0.21 105.19 119.97 1s97 n GLY 246 Ca -0.22 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 1s97 n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s97 s ARG 247 N -2.30 0.64 -0.08 1.61 6.06 -0.43 -4.77 118.95 119.69 1s97 s ARG 247 Ca 0.12 0.54 -0.04 0.00 -2.50 0.00 0.00 55.73 53.84 1s97 s ARG 247 Cb -0.01 0.31 0.04 0.00 0.06 0.00 0.00 34.95 35.35 1s97 s ARG 247 CO 0.08 -0.11 0.18 -1.50 -2.50 0.00 0.00 175.30 171.45 1s97 s ILE 248 N -0.09 -0.04 0.32 4.11 2.07 -1.26 -0.95 121.20 125.35 1s97 s ILE 248 Ca -0.03 0.16 0.10 0.00 -1.41 0.00 0.00 60.65 59.46 1s97 s ILE 248 Cb -0.03 -0.29 -0.06 0.00 0.13 0.00 0.00 42.46 42.21 1s97 s ILE 248 CO 0.02 0.06 -0.12 0.68 -1.91 0.00 0.00 174.94 173.68 1s97 s VAL 249 N 1.11 2.24 -0.13 4.00 -7.23 -0.70 -4.98 120.40 114.70 1s97 s VAL 249 Ca -0.08 -2.25 -0.05 0.00 -1.81 0.00 0.00 61.98 57.79 1s97 s VAL 249 Cb -0.10 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1s97 s VAL 249 CO -0.06 -0.26 0.05 -0.89 -0.31 0.00 0.00 175.10 173.63 1s97 s THR 250 N -2.63 4.75 0.49 5.32 2.01 -1.26 -2.06 115.64 122.26 1s97 s THR 250 Ca 0.31 -0.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 1s97 s THR 250 Cb 0.01 -3.07 -0.08 0.00 0.01 0.00 0.00 72.50 69.36 1s97 s THR 250 CO 0.16 0.55 0.96 -0.04 -0.69 0.00 0.00 174.62 175.56 1s97 s MET 251 N -0.40 3.99 0.00 4.92 -1.94 -0.81 -4.93 119.30 120.12 1s97 s MET 251 Ca 0.09 0.95 0.11 0.00 -1.71 0.00 0.00 55.69 55.13 1s97 s MET 251 Cb -0.12 -2.16 0.48 0.00 2.01 0.00 0.00 34.83 35.04 1s97 s MET 251 CO 0.02 -0.21 1.35 1.17 -0.01 0.00 0.00 175.02 177.34 1s97 n LYS 252 N -1.40 0.01 -3.60 2.03 4.81 -1.26 -4.71 118.16 114.04 1s97 n LYS 252 Ca 0.06 0.30 -0.07 0.00 -0.87 0.00 0.00 58.31 57.74 1s97 n LYS 252 Cb 0.54 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.05 1s97 n LYS 252 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1s97 s ARG 253 N -2.98 0.39 0.05 1.64 1.70 -1.26 -4.76 118.95 113.73 1s97 s ARG 253 Ca 0.06 0.07 -0.31 0.00 -0.47 0.00 0.00 55.73 55.08 1s97 s ARG 253 Cb 0.07 0.18 -0.06 0.00 -0.57 0.00 0.00 34.95 34.58 1s97 s ARG 253 CO 0.20 -0.13 1.26 -0.80 -1.08 0.00 0.00 175.30 174.76 1s97 s ASN 254 N -1.19 6.99 0.26 -2.89 0.02 -1.26 -4.89 114.94 111.98 1s97 s ASN 254 Ca 0.03 2.08 0.01 0.00 -1.02 0.00 0.00 52.86 53.96 1s97 s ASN 254 Cb -0.01 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.64 1s97 s ASN 254 CO -0.03 -0.55 0.14 -0.55 0.02 0.00 0.00 177.10 176.13 1s97 s SER 255 N 1.20 0.99 0.00 -1.22 0.15 -0.95 -4.86 113.70 109.01 1s97 s SER 255 Ca 0.60 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1s97 s SER 255 Cb -0.31 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1s97 s SER 255 CO 0.28 -0.83 0.15 -1.14 1.20 0.00 0.00 173.24 172.90 1s97 n ARG 256 N -0.45 1.42 -2.88 5.44 3.00 -1.26 -1.18 116.66 120.75 1s97 n ARG 256 Ca 0.01 -0.15 -0.42 0.00 -0.00 0.00 0.00 57.85 57.30 1s97 n ARG 256 Cb 0.66 -0.54 -0.04 0.00 0.00 0.00 0.00 32.46 32.53 1s97 n ARG 256 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1s97 s ASN 257 N -0.24 6.92 0.19 6.15 3.84 -1.26 -4.96 114.94 125.56 1s97 s ASN 257 Ca 0.00 1.13 -0.12 0.00 0.21 0.00 0.00 52.86 54.08 1s97 s ASN 257 Cb 0.00 -2.45 0.19 0.00 -0.55 0.00 0.00 41.25 38.44 1s97 s ASN 257 CO 0.00 -0.45 1.74 0.25 -2.79 0.00 0.00 177.10 175.85 1s97 h LEU 258 N 8.69 0.16 -1.84 3.21 6.46 -1.99 -1.84 115.31 128.16 1s97 h LEU 258 Ca -0.27 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1s97 h LEU 258 Cb 1.11 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1s97 h LEU 258 CO 0.86 0.12 -0.01 -0.33 -0.62 0.00 0.00 178.44 178.46 1s97 h GLU 259 N 0.35 0.00 0.00 1.25 4.39 -2.00 0.83 114.58 119.40 1s97 h GLU 259 Ca 0.25 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 1s97 h GLU 259 Cb 0.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1s97 h GLU 259 CO -0.26 0.01 -0.73 1.49 -1.16 0.00 0.00 179.01 178.35 1s97 h GLU 260 N 0.00 0.00 0.02 2.33 4.81 -1.77 -3.35 114.58 116.62 1s97 h GLU 260 Ca -0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1s97 h GLU 260 Cb 0.39 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 1s97 h GLU 260 CO 0.00 0.05 -2.00 -0.89 -0.73 0.00 0.00 179.01 175.44 1s97 n ILE 261 N -2.85 1.56 -0.33 2.32 5.41 -0.76 -4.52 119.36 120.19 1s97 n ILE 261 Ca 0.00 -0.78 -0.03 0.00 1.00 0.00 0.00 62.75 62.95 1s97 n ILE 261 Cb 0.58 -0.99 0.02 0.00 -0.71 0.00 0.00 39.64 38.55 1s97 n ILE 261 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1s97 h LYS 262 N 0.01 -0.05 -0.69 0.38 1.57 -1.00 -0.73 116.57 116.06 1s97 h LYS 262 Ca -0.40 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.52 1s97 h LYS 262 Cb 2.08 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 34.30 1s97 h LYS 262 CO 0.05 -0.03 0.20 -1.35 -0.57 0.00 0.00 179.45 177.75 1s97 h PRO 263 N -0.05 0.31 -0.29 3.15 0.11 -1.79 0.11 132.00 133.55 1s97 h PRO 263 Ca 0.30 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 1s97 h PRO 263 Cb 0.58 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1s97 h PRO 263 CO -0.90 0.21 0.12 1.88 -0.21 0.00 0.00 178.00 179.10 1s97 h TYR 264 N 0.32 0.43 -0.88 0.65 0.05 -1.42 -0.04 116.97 116.08 1s97 h TYR 264 Ca 0.38 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 59.14 1s97 h TYR 264 Cb 0.59 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 38.16 1s97 h TYR 264 CO -0.23 0.42 0.58 1.25 -1.05 0.00 0.00 178.16 179.14 1s97 h LEU 265 N 0.31 1.00 -0.54 3.88 5.85 -0.69 -1.90 115.31 123.23 1s97 h LEU 265 Ca 0.10 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 1s97 h LEU 265 Cb 0.17 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1s97 h LEU 265 CO -0.01 0.71 -0.16 -0.26 -0.34 0.00 0.00 178.44 178.39 1s97 h PHE 266 N 1.18 1.15 -0.81 1.25 0.04 -0.47 -1.17 116.94 118.09 1s97 h PHE 266 Ca 0.33 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1s97 h PHE 266 Cb -0.10 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 37.73 1s97 h PHE 266 CO -0.01 1.08 0.42 -0.09 -0.60 0.00 0.00 178.31 179.11 1s97 h ARG 267 N 0.89 1.15 0.02 1.51 2.43 -0.70 0.31 114.38 119.99 1s97 h ARG 267 Ca 0.13 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1s97 h ARG 267 Cb 0.73 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1s97 h ARG 267 CO 0.06 0.86 -0.01 0.00 -1.51 0.00 0.00 179.97 179.37 1s97 h ALA 268 N 1.22 -0.03 -0.59 2.80 0.00 -1.00 0.25 119.26 121.91 1s97 h ALA 268 Ca 0.28 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1s97 h ALA 268 Cb 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1s97 h ALA 268 CO -0.04 -0.51 0.37 0.82 0.00 0.00 0.00 179.25 179.89 1s97 h ILE 269 N -0.05 1.09 0.00 0.00 2.04 -0.76 0.97 117.51 120.79 1s97 h ILE 269 Ca -0.00 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1s97 h ILE 269 Cb 0.04 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1s97 h ILE 269 CO 0.01 0.13 -0.14 -0.33 0.00 0.00 0.00 178.15 177.82 1s97 h GLU 270 N 0.73 0.00 0.07 2.37 4.39 0.12 0.21 114.58 122.46 1s97 h GLU 270 Ca 0.23 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.61 1s97 h GLU 270 Cb -0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1s97 h GLU 270 CO -0.09 0.14 -1.77 0.93 -1.16 0.00 0.00 179.01 177.07 1s97 h GLU 271 N 0.00 0.15 0.07 2.33 5.08 0.35 -3.32 114.58 119.24 1s97 h GLU 271 Ca -0.00 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 57.93 1s97 h GLU 271 Cb 0.26 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1s97 h GLU 271 CO 0.02 0.90 -0.86 0.66 -1.00 0.00 0.00 179.01 178.73 1s97 h SER 272 N 0.04 0.24 -0.31 1.42 4.64 -0.74 -2.99 113.55 115.85 1s97 h SER 272 Ca -0.32 -0.86 0.09 0.00 -0.47 0.00 0.00 61.79 60.23 1s97 h SER 272 Cb 2.02 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 64.02 1s97 h SER 272 CO 0.10 1.38 0.33 0.22 -0.87 0.00 0.00 176.83 177.99 1s97 h TYR 273 N -0.62 0.00 0.11 4.77 5.03 -0.78 1.07 116.97 126.55 1s97 h TYR 273 Ca -0.19 0.00 -0.27 0.00 2.58 0.00 0.00 58.73 60.85 1s97 h TYR 273 Cb 1.45 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.74 1s97 h TYR 273 CO 0.18 0.00 -1.21 -0.92 -1.32 0.00 0.00 178.16 174.89 1s97 h TYR 274 N 0.00 0.49 0.00 -3.82 3.20 -1.66 -3.21 116.97 111.98 1s97 h TYR 274 Ca 0.15 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1s97 h TYR 274 Cb 0.81 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1s97 h TYR 274 CO 0.00 1.26 0.00 0.87 -1.64 0.00 0.00 178.16 178.65 1s97 h LYS 275 N 0.09 0.00 -0.17 1.82 1.57 0.13 -3.13 116.57 116.88 1s97 h LYS 275 Ca -0.13 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1s97 h LYS 275 Cb 1.93 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 34.18 1s97 h LYS 275 CO 0.20 0.00 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.80 1s97 h LEU 276 N 0.00 -0.65 -2.27 2.94 3.38 -1.16 -3.48 115.31 114.06 1s97 h LEU 276 Ca 0.00 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1s97 h LEU 276 Cb 0.49 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 41.43 1s97 h LEU 276 CO 0.00 -0.26 -1.26 -0.67 0.09 0.00 0.00 178.44 176.35 1s97 n ASP 277 N -5.35 -1.93 0.00 -0.43 2.03 -1.18 -3.46 116.55 106.23 1s97 n ASP 277 Ca -0.02 1.27 0.00 0.00 0.52 0.00 0.00 54.79 56.56 1s97 n ASP 277 Cb 0.26 -4.44 0.00 0.00 -0.72 0.00 0.00 41.12 36.22 1s97 n ASP 277 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1s97 n LYS 278 N 1.91 0.00 -1.78 -0.67 4.01 -1.26 -4.90 118.16 115.47 1s97 n LYS 278 Ca -0.34 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.05 1s97 n LYS 278 Cb 0.52 -0.09 -0.01 0.00 -0.51 0.00 0.00 35.03 34.94 1s97 n LYS 278 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1s97 s ARG 279 N 0.00 4.11 -0.21 1.97 0.52 -1.22 -5.00 118.95 119.12 1s97 s ARG 279 Ca 0.00 2.59 0.01 0.00 -0.52 0.00 0.00 55.73 57.81 1s97 s ARG 279 Cb 0.00 -2.99 0.04 0.00 0.52 0.00 0.00 34.95 32.52 1s97 s ARG 279 CO 0.00 -0.59 -0.13 0.42 0.02 0.00 0.00 175.30 175.02 1s97 s ILE 280 N -0.55 1.85 0.57 1.52 1.01 -1.26 -4.85 121.20 119.50 1s97 s ILE 280 Ca 0.58 -1.12 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 1s97 s ILE 280 Cb -0.47 -1.87 -0.06 0.00 0.01 0.00 0.00 42.46 40.07 1s97 s ILE 280 CO 0.56 0.22 1.01 -2.16 0.00 0.00 0.00 174.94 174.57 1s97 s PRO 281 N 1.31 3.73 -0.00 2.79 0.04 -1.26 -2.81 135.00 138.80 1s97 s PRO 281 Ca -0.01 0.86 0.01 0.00 0.04 0.00 0.00 61.00 61.90 1s97 s PRO 281 Cb -0.16 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1s97 s PRO 281 CO -0.09 -0.45 0.04 1.63 0.04 0.00 0.00 177.00 178.17 1s97 n LYS 282 N -2.20 5.87 -5.07 4.56 5.02 -0.80 -0.09 118.16 125.45 1s97 n LYS 282 Ca 0.06 -0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.07 1s97 n LYS 282 Cb 0.54 -0.60 -0.16 0.00 -0.02 0.00 0.00 35.03 34.79 1s97 n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s97 s ALA 283 N -1.21 1.83 -0.02 7.82 0.00 -0.78 -0.32 121.76 129.08 1s97 s ALA 283 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1s97 s ALA 283 Cb 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1s97 s ALA 283 CO 0.04 0.41 -0.06 -1.50 0.00 0.00 0.00 175.76 174.65 1s97 s ILE 284 N -0.34 0.52 -0.03 0.00 2.07 -1.13 -1.22 121.20 121.07 1s97 s ILE 284 Ca 0.04 -0.23 0.03 0.00 -1.41 0.00 0.00 60.65 59.08 1s97 s ILE 284 Cb -0.10 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 42.02 1s97 s ILE 284 CO 0.01 0.17 -0.13 -1.00 -1.91 0.00 0.00 174.94 172.08 1s97 s HIS 285 N 0.16 1.32 -0.24 3.50 3.76 0.20 -2.31 115.29 121.68 1s97 s HIS 285 Ca -0.02 -0.36 -0.09 0.00 -0.15 0.00 0.00 55.06 54.44 1s97 s HIS 285 Cb -0.06 -0.91 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 1s97 s HIS 285 CO -0.00 -0.14 0.12 0.08 -0.85 0.00 0.00 174.74 173.95 1s97 s VAL 286 N 0.14 4.93 -0.07 -0.90 1.01 -0.01 -0.12 120.40 125.38 1s97 s VAL 286 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1s97 s VAL 286 Cb -0.10 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1s97 s VAL 286 CO 0.01 0.35 -0.09 -0.69 0.00 0.00 0.00 175.10 174.69 1s97 s VAL 287 N 1.18 3.55 -0.01 2.92 1.01 0.37 -2.15 120.40 127.26 1s97 s VAL 287 Ca 0.06 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1s97 s VAL 287 Cb -0.14 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1s97 s VAL 287 CO 0.05 0.58 -0.04 0.00 0.00 0.00 0.00 175.10 175.70 1s97 s ALA 288 N -0.63 0.34 -0.37 5.51 0.00 -0.71 0.22 121.76 126.13 1s97 s ALA 288 Ca 0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 1s97 s ALA 288 Cb -0.11 -0.12 0.06 0.00 0.00 0.00 0.00 23.12 22.94 1s97 s ALA 288 CO 0.02 0.06 0.16 0.08 0.00 0.00 0.00 175.76 176.07 1s97 s VAL 289 N 0.07 3.78 0.90 0.00 1.01 0.48 -1.85 120.40 124.79 1s97 s VAL 289 Ca -0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.51 1s97 s VAL 289 Cb -0.03 -3.26 0.13 0.00 0.00 0.00 0.00 36.38 33.22 1s97 s VAL 289 CO -0.00 -0.34 1.11 0.42 0.00 0.00 0.00 175.10 176.28 1s97 s THR 290 N 1.36 2.49 0.64 3.92 -4.23 -0.40 -0.20 115.64 119.22 1s97 s THR 290 Ca 0.01 0.16 0.23 0.00 -1.18 0.00 0.00 61.69 60.90 1s97 s THR 290 Cb -0.21 -2.37 0.26 0.00 1.34 0.00 0.00 72.50 71.52 1s97 s THR 290 CO 0.01 -0.21 1.64 1.05 -0.54 0.00 0.00 174.62 176.58 1s97 h GLU 291 N -1.70 0.00 -0.60 3.99 4.11 -1.48 0.37 114.58 119.27 1s97 h GLU 291 Ca -0.46 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.90 1s97 h GLU 291 Cb 1.27 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1s97 h GLU 291 CO 0.47 0.00 0.09 -0.40 0.07 0.00 0.00 179.01 179.24 1s97 n ASP 292 N -3.00 5.23 -1.29 3.06 5.68 -1.26 -4.93 116.55 120.04 1s97 n ASP 292 Ca 0.03 -3.06 -0.16 0.00 -0.50 0.00 0.00 54.79 51.10 1s97 n ASP 292 Cb 0.69 -0.69 -0.06 0.00 -1.14 0.00 0.00 41.12 39.91 1s97 n ASP 292 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1s97 n LEU 293 N 0.22 -1.22 -4.91 -2.12 4.32 0.13 -5.00 117.00 108.42 1s97 n LEU 293 Ca 0.32 0.36 -0.27 0.00 -0.02 0.00 0.00 56.01 56.40 1s97 n LEU 293 Cb 1.24 -2.33 -0.02 0.00 -1.62 0.00 0.00 43.42 40.69 1s97 n LEU 293 CO 0.35 -0.79 0.30 -0.62 -1.22 0.00 0.00 177.39 175.41 1s97 s ASP 294 N -2.78 6.38 -0.16 -1.43 2.15 -1.25 -4.85 116.67 114.72 1s97 s ASP 294 Ca 0.00 0.78 0.01 0.00 0.43 0.00 0.00 52.55 53.77 1s97 s ASP 294 Cb 0.00 -2.18 0.01 0.00 -0.30 0.00 0.00 42.92 40.45 1s97 s ASP 294 CO 0.00 -0.35 -0.19 -0.63 -0.17 0.00 0.00 175.17 173.83 1s97 s ILE 295 N -2.36 2.27 -0.01 4.11 1.01 -1.26 -1.28 121.20 123.68 1s97 s ILE 295 Ca 0.45 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 60.25 1s97 s ILE 295 Cb -0.10 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 1s97 s ILE 295 CO 0.35 0.53 -0.14 0.68 0.00 0.00 0.00 174.94 176.37 1s97 s VAL 296 N 1.03 1.09 0.18 2.92 -7.23 -0.77 -5.01 120.40 112.61 1s97 s VAL 296 Ca -0.01 -0.58 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 1s97 s VAL 296 Cb -0.14 -0.91 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 1s97 s VAL 296 CO -0.06 0.31 0.22 -0.94 -0.31 0.00 0.00 175.10 174.32 1s97 s SER 297 N -0.30 0.12 -0.11 4.85 1.04 -1.26 -1.73 113.70 116.31 1s97 s SER 297 Ca 0.05 -1.10 -0.06 0.00 0.48 0.00 0.00 55.95 55.31 1s97 s SER 297 Cb -0.06 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1s97 s SER 297 CO -0.00 -0.88 0.26 -0.13 0.98 0.00 0.00 173.24 173.47 1s97 s ARG 298 N -4.05 0.24 0.19 4.02 1.81 -0.92 -4.99 118.95 115.26 1s97 s ARG 298 Ca 0.26 0.52 0.02 0.00 -1.72 0.00 0.00 55.73 54.81 1s97 s ARG 298 Cb 0.05 -0.07 -0.01 0.00 -0.45 0.00 0.00 34.95 34.47 1s97 s ARG 298 CO 0.05 -0.14 0.09 0.41 -0.68 0.00 0.00 175.30 175.03 1s97 n GLY 299 N 4.01 3.64 3.64 -3.53 0.00 -1.26 -0.83 105.19 110.86 1s97 n GLY 299 Ca -0.23 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 43.78 1s97 n GLY 299 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s97 s ARG 300 N -2.75 0.30 -0.17 1.61 1.04 -0.98 -5.01 118.95 113.00 1s97 s ARG 300 Ca 0.12 0.40 -0.06 0.00 -1.04 0.00 0.00 55.73 55.15 1s97 s ARG 300 Cb 0.01 0.12 -0.04 0.00 -2.04 0.00 0.00 34.95 33.00 1s97 s ARG 300 CO 0.09 -0.04 0.04 0.99 -0.04 0.00 0.00 175.30 176.33 1s97 s THR 301 N 0.53 4.58 0.20 4.99 2.01 -1.26 -2.86 115.64 123.84 1s97 s THR 301 Ca 0.00 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1s97 s THR 301 Cb -0.04 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1s97 s THR 301 CO -0.11 0.49 0.33 -0.36 -0.69 0.00 0.00 174.62 174.28 1s97 s PHE 302 N 0.21 3.47 -1.39 4.92 0.40 0.57 -5.00 117.98 121.16 1s97 s PHE 302 Ca 0.03 0.07 0.30 0.00 -0.60 0.00 0.00 56.93 56.73 1s97 s PHE 302 Cb -0.13 -1.64 1.37 0.00 0.51 0.00 0.00 43.02 43.13 1s97 s PHE 302 CO 0.01 0.46 1.97 -0.35 0.70 0.00 0.00 175.22 178.00 1s97 n PRO 303 N -1.00 0.40 -4.43 0.24 -0.04 -1.26 -4.81 135.00 124.10 1s97 n PRO 303 Ca -0.08 -0.05 -0.23 0.00 -0.04 0.00 0.00 63.50 63.10 1s97 n PRO 303 Cb 0.55 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 1s97 n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1s97 s HIS 304 N -2.63 1.74 0.40 0.54 -3.43 -1.26 -5.14 115.29 105.51 1s97 s HIS 304 Ca 0.26 -1.38 -0.25 0.00 -0.80 0.00 0.00 55.06 52.89 1s97 s HIS 304 Cb 0.20 -1.00 -0.09 0.00 -1.43 0.00 0.00 32.58 30.26 1s97 s HIS 304 CO 0.49 -0.46 1.10 0.20 -2.00 0.00 0.00 174.74 174.06 1s97 s GLY 305 N -3.50 2.80 -0.25 -1.38 0.00 -1.26 -4.48 107.32 99.25 1s97 s GLY 305 Ca 0.30 0.82 -0.18 0.00 0.00 0.00 0.00 44.72 45.66 1s97 s GLY 305 CO 0.18 1.29 0.52 -0.42 0.00 0.00 0.00 173.10 174.66 1s97 s ILE 306 N -1.54 5.07 0.59 0.90 1.01 0.87 -4.97 121.20 123.13 1s97 s ILE 306 Ca 0.57 0.89 -0.14 0.00 0.00 0.00 0.00 60.65 61.97 1s97 s ILE 306 Cb -0.26 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1s97 s ILE 306 CO 0.32 0.09 1.03 -0.94 0.00 0.00 0.00 174.94 175.45 1s97 s SER 307 N 1.50 6.11 0.21 3.58 1.04 -1.26 -4.69 113.70 120.19 1s97 s SER 307 Ca 0.21 1.59 -0.10 0.00 0.48 0.00 0.00 55.95 58.13 1s97 s SER 307 Cb -0.16 -2.50 0.28 0.00 0.10 0.00 0.00 66.02 63.74 1s97 s SER 307 CO 0.09 -0.94 1.72 0.50 0.98 0.00 0.00 173.24 175.58 1s97 h LYS 308 N 0.18 0.28 -0.93 4.02 3.64 -1.99 0.75 116.57 122.52 1s97 h LYS 308 Ca -0.45 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.08 1s97 h LYS 308 Cb 1.20 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.88 1s97 h LYS 308 CO 0.60 0.19 0.60 0.93 -2.27 0.00 0.00 179.45 179.49 1s97 h GLU 309 N 0.29 0.60 -0.07 1.90 4.39 -1.99 0.15 114.58 119.85 1s97 h GLU 309 Ca 0.30 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 59.73 1s97 h GLU 309 Cb 0.43 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1s97 h GLU 309 CO -0.37 0.40 -0.89 1.15 -1.16 0.00 0.00 179.01 178.14 1s97 h THR 310 N 0.62 1.30 0.06 1.13 2.02 -1.29 -2.20 112.91 114.56 1s97 h THR 310 Ca 0.49 -2.15 0.01 0.00 0.77 0.00 0.00 66.41 65.53 1s97 h THR 310 Cb 0.92 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 69.50 1s97 h THR 310 CO -0.24 0.67 -0.14 0.00 0.37 0.00 0.00 175.52 176.17 1s97 h ALA 311 N 0.56 -0.22 0.02 6.16 0.00 0.68 0.69 119.26 127.16 1s97 h ALA 311 Ca -0.08 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1s97 h ALA 311 Cb 1.53 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 1s97 h ALA 311 CO 0.17 -0.66 -0.50 1.88 0.00 0.00 0.00 179.25 180.15 1s97 h TYR 312 N -0.27 -1.46 -0.44 0.00 0.05 -0.78 0.34 116.97 114.41 1s97 h TYR 312 Ca 0.03 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1s97 h TYR 312 Cb 0.30 0.63 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 1s97 h TYR 312 CO -0.17 -0.56 0.29 1.03 -1.05 0.00 0.00 178.16 177.70 1s97 h SER 313 N -0.66 0.51 0.04 3.88 0.87 -1.11 -2.97 113.55 114.11 1s97 h SER 313 Ca 0.02 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1s97 h SER 313 Cb 0.71 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1s97 h SER 313 CO -0.34 0.38 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.24 1s97 h GLU 314 N 0.59 -0.06 -1.01 2.24 4.57 0.75 -3.02 114.58 118.65 1s97 h GLU 314 Ca 0.16 0.00 0.26 0.00 -1.18 0.00 0.00 59.36 58.61 1s97 h GLU 314 Cb -0.05 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 28.42 1s97 h GLU 314 CO -0.03 0.17 0.60 0.66 -1.18 0.00 0.00 179.01 179.22 1s97 h SER 315 N -0.28 0.63 -0.30 1.04 4.64 -0.27 0.21 113.55 119.22 1s97 h SER 315 Ca -0.01 0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1s97 h SER 315 Cb 0.25 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1s97 h SER 315 CO 0.01 0.05 0.15 0.58 -0.87 0.00 0.00 176.83 176.75 1s97 h VAL 316 N 0.52 1.15 -0.74 0.95 2.07 -1.40 0.41 116.25 119.21 1s97 h VAL 316 Ca 0.66 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 1s97 h VAL 316 Cb 1.34 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1s97 h VAL 316 CO -0.49 0.15 0.46 0.11 0.02 0.00 0.00 177.57 177.82 1s97 h LYS 317 N 0.35 0.99 -0.43 1.57 1.57 -0.54 0.17 116.57 120.24 1s97 h LYS 317 Ca 0.10 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1s97 h LYS 317 Cb 0.11 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1s97 h LYS 317 CO -0.01 0.69 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.43 1s97 h LEU 318 N 1.00 0.79 -0.41 2.94 3.38 -0.93 -1.29 115.31 120.80 1s97 h LEU 318 Ca 0.27 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1s97 h LEU 318 Cb -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1s97 h LEU 318 CO -0.05 0.94 0.15 0.25 0.09 0.00 0.00 178.44 179.81 1s97 h LEU 319 N 0.63 0.57 -1.94 1.67 5.85 -0.64 -1.33 115.31 120.12 1s97 h LEU 319 Ca 0.12 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1s97 h LEU 319 Cb 0.56 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1s97 h LEU 319 CO 0.03 0.60 -0.03 1.56 -0.34 0.00 0.00 178.44 180.26 1s97 h GLN 320 N 0.51 0.00 -0.07 1.25 4.20 -0.55 -0.68 115.11 119.78 1s97 h GLN 320 Ca 0.13 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 1s97 h GLN 320 Cb 0.22 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1s97 h GLN 320 CO -0.01 0.03 -0.67 -0.22 -0.67 0.00 0.00 178.83 177.29 1s97 h LYS 321 N 0.00 0.28 0.17 1.46 3.64 -0.36 -1.05 116.57 120.72 1s97 h LYS 321 Ca 0.00 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1s97 h LYS 321 Cb 0.05 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1s97 h LYS 321 CO 0.00 0.85 -0.08 0.82 -2.27 0.00 0.00 179.45 178.77 1s97 h ILE 322 N 0.20 0.94 0.00 2.00 2.04 -0.11 -2.24 117.51 120.34 1s97 h ILE 322 Ca -0.02 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1s97 h ILE 322 Cb 1.21 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1s97 h ILE 322 CO 0.11 0.20 0.00 -0.07 0.00 0.00 0.00 178.15 178.38 1s97 h LEU 323 N -0.70 0.00 0.00 1.44 4.07 -1.22 -0.88 115.31 118.02 1s97 h LEU 323 Ca -0.02 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.84 1s97 h LEU 323 Cb 0.50 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1s97 h LEU 323 CO 0.04 0.00 -0.85 -0.08 -1.08 0.00 0.00 178.44 176.47 1s97 h GLU 324 N 0.00 0.00 0.00 1.13 4.81 -0.97 -3.37 114.58 116.19 1s97 h GLU 324 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1s97 h GLU 324 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1s97 h GLU 324 CO 0.00 0.27 -0.04 0.39 -0.73 0.00 0.00 179.01 178.89 1s97 n GLU 325 N -2.99 1.28 -3.28 1.92 1.02 -0.44 -4.95 120.64 113.21 1s97 n GLU 325 Ca -0.02 -2.36 -0.05 0.00 -0.02 0.00 0.00 57.16 54.70 1s97 n GLU 325 Cb 0.71 -1.38 -0.05 0.00 -0.02 0.00 0.00 31.44 30.70 1s97 n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s97 s ASP 326 N -2.58 -0.20 0.43 1.62 -1.08 -0.60 -5.03 116.67 109.23 1s97 s ASP 326 Ca 0.27 0.21 0.11 0.00 -0.52 0.00 0.00 52.55 52.62 1s97 s ASP 326 Cb 0.24 1.40 0.94 0.00 -1.46 0.00 0.00 42.92 44.04 1s97 s ASP 326 CO 0.03 -0.30 2.01 1.05 0.52 0.00 0.00 175.17 178.48 1s97 h GLU 327 N 8.13 0.23 -6.82 4.34 -0.00 -1.87 -3.43 114.58 115.16 1s97 h GLU 327 Ca -0.16 -0.03 -0.55 0.00 -0.00 0.00 0.00 59.36 58.62 1s97 h GLU 327 Cb 1.15 -0.04 0.19 0.00 -0.00 0.00 0.00 28.75 30.05 1s97 h GLU 327 CO 0.26 0.26 -0.25 0.54 -0.00 0.00 0.00 179.01 179.82 1s97 n ARG 328 N -4.39 0.16 -2.14 1.06 1.74 -1.26 -5.00 116.66 106.83 1s97 n ARG 328 Ca -0.01 0.11 -0.28 0.00 -0.77 0.00 0.00 57.85 56.90 1s97 n ARG 328 Cb 0.17 -1.99 0.05 0.00 -1.02 0.00 0.00 32.46 29.67 1s97 n ARG 328 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1s97 s LYS 329 N -3.28 2.72 -0.13 5.56 1.02 -1.26 -4.94 119.74 119.43 1s97 s LYS 329 Ca 0.66 0.15 -0.02 0.00 0.02 0.00 0.00 55.97 56.77 1s97 s LYS 329 Cb -0.30 -2.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1s97 s LYS 329 CO 0.58 -0.97 -0.06 0.42 -0.92 0.00 0.00 175.35 174.40 1s97 s ILE 330 N -3.21 3.69 -0.26 2.17 1.01 -0.33 -1.25 121.20 123.03 1s97 s ILE 330 Ca 0.57 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 1s97 s ILE 330 Cb -0.11 -2.58 -0.16 0.00 0.01 0.00 0.00 42.46 39.62 1s97 s ILE 330 CO 0.48 0.53 -0.25 -1.14 0.00 0.00 0.00 174.94 174.56 1s97 n ARG 331 N 3.21 0.62 -4.55 2.79 0.63 0.71 -2.23 116.66 117.85 1s97 n ARG 331 Ca -0.18 0.17 -0.21 0.00 -0.92 0.00 0.00 57.85 56.71 1s97 n ARG 331 Cb 0.53 -1.50 -0.15 0.00 0.45 0.00 0.00 32.46 31.79 1s97 n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1s97 s ARG 332 N -2.50 1.05 0.01 -0.14 0.52 -0.75 -1.92 118.95 115.21 1s97 s ARG 332 Ca -0.35 -0.56 0.04 0.00 -0.52 0.00 0.00 55.73 54.35 1s97 s ARG 332 Cb 0.10 -1.03 -0.01 0.00 0.52 0.00 0.00 34.95 34.52 1s97 s ARG 332 CO 0.56 0.28 -0.13 -1.50 0.02 0.00 0.00 175.30 174.53 1s97 s ILE 333 N -0.46 1.03 0.30 1.52 1.10 -0.87 -0.39 121.20 123.43 1s97 s ILE 333 Ca 0.04 -0.74 -0.15 0.00 -0.51 0.00 0.00 60.65 59.29 1s97 s ILE 333 Cb -0.06 -0.90 0.02 0.00 0.15 0.00 0.00 42.46 41.67 1s97 s ILE 333 CO -0.00 0.15 0.64 -0.83 -2.11 0.00 0.00 174.94 172.79 1s97 s GLY 334 N -0.67 0.38 -0.00 1.50 0.00 0.13 -1.72 107.32 106.94 1s97 s GLY 334 Ca 0.03 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.04 1s97 s GLY 334 CO 0.00 -0.41 -0.02 0.54 0.00 0.00 0.00 173.10 173.22 1s97 s VAL 335 N -3.48 0.15 -0.11 1.40 0.11 -0.13 -0.48 120.40 117.86 1s97 s VAL 335 Ca 0.18 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.16 1s97 s VAL 335 Cb -0.04 -0.14 0.02 0.00 -1.53 0.00 0.00 36.38 34.69 1s97 s VAL 335 CO 0.10 0.04 -0.13 -0.60 -3.33 0.00 0.00 175.10 171.18 1s97 s ARG 336 N -0.04 2.06 -0.17 1.54 6.06 0.83 -1.32 118.95 127.92 1s97 s ARG 336 Ca 0.01 -0.49 -0.06 0.00 -2.50 0.00 0.00 55.73 52.69 1s97 s ARG 336 Cb -0.01 -1.83 -0.04 0.00 0.06 0.00 0.00 34.95 33.13 1s97 s ARG 336 CO -0.00 -0.13 0.02 -0.06 -2.50 0.00 0.00 175.30 172.64 1s97 s PHE 337 N 1.19 3.17 0.04 5.12 0.08 0.70 -0.63 117.98 127.64 1s97 s PHE 337 Ca -0.03 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.96 1s97 s PHE 337 Cb -0.14 -2.02 -0.00 0.00 -0.57 0.00 0.00 43.02 40.28 1s97 s PHE 337 CO -0.04 0.10 0.05 -1.13 -0.10 0.00 0.00 175.22 174.09 1s97 n SER 338 N 3.49 -0.13 -3.60 1.36 3.41 -0.35 -0.56 113.62 117.23 1s97 n SER 338 Ca -0.17 -1.24 -0.28 0.00 -0.26 0.00 0.00 58.87 56.92 1s97 n SER 338 Cb 0.52 0.26 0.05 0.00 -0.26 0.00 0.00 64.21 64.78 1s97 n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s97 n LYS 339 N -0.07 -1.37 -1.24 4.33 5.02 -1.23 -1.87 118.16 121.73 1s97 n LYS 339 Ca 0.00 0.56 -0.29 0.00 -2.02 0.00 0.00 58.31 56.56 1s97 n LYS 339 Cb 0.07 -4.37 0.21 0.00 -0.02 0.00 0.00 35.03 30.91 1s97 n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1s97 s PHE 340 N -3.42 1.25 -0.11 2.13 0.08 -1.26 -1.90 117.98 114.76 1s97 s PHE 340 Ca 0.44 0.64 0.01 0.00 0.12 0.00 0.00 56.93 58.14 1s97 s PHE 340 Cb -0.14 -3.47 0.01 0.00 -0.57 0.00 0.00 43.02 38.85 1s97 s PHE 340 CO 0.84 -3.34 0.53 0.44 -0.10 0.00 0.00 175.22 173.59