#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ci1 s PRO 5 N 0.00 1.93 -0.28 1.97 0.04 -1.26 -4.92 135.00 132.48 1ci1 s PRO 5 Ca 0.00 0.25 -0.41 0.00 0.04 0.00 0.00 61.00 60.88 1ci1 s PRO 5 Cb 0.00 -1.93 -0.17 0.00 0.04 0.00 0.00 34.50 32.44 1ci1 s PRO 5 CO 0.00 -1.64 1.63 0.94 0.04 0.00 0.00 177.00 177.97 1ci1 n GLN 6 N -3.38 0.81 -1.82 4.56 7.27 -1.26 -4.91 117.38 118.65 1ci1 n GLN 6 Ca 0.07 0.30 -0.33 0.00 0.07 0.00 0.00 57.00 57.11 1ci1 n GLN 6 Cb 0.60 -1.92 0.04 0.00 2.41 0.00 0.00 30.24 31.36 1ci1 n GLN 6 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1ci1 s PRO 7 N 2.90 2.87 -0.05 3.69 0.04 -1.26 -4.87 135.00 138.31 1ci1 s PRO 7 Ca 0.98 1.42 0.03 0.00 0.04 0.00 0.00 61.00 63.48 1ci1 s PRO 7 Cb -1.17 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1ci1 s PRO 7 CO 0.67 -1.20 -0.15 0.42 0.04 0.00 0.00 177.00 176.78 1ci1 s ILE 8 N -2.26 1.29 -0.29 0.56 1.01 -0.85 -1.47 121.20 119.20 1ci1 s ILE 8 Ca 0.68 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1ci1 s ILE 8 Cb -0.21 -1.13 0.06 0.00 0.01 0.00 0.00 42.46 41.18 1ci1 s ILE 8 CO 0.40 0.38 -0.04 0.00 0.00 0.00 0.00 174.94 175.68 1ci1 s ALA 9 N 0.32 2.72 -0.07 9.38 0.00 -0.40 -1.94 121.76 131.77 1ci1 s ALA 9 Ca -0.09 -1.84 0.03 0.00 0.00 0.00 0.00 51.96 50.05 1ci1 s ALA 9 Cb -0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 1ci1 s ALA 9 CO 0.03 -1.28 -0.14 0.00 0.00 0.00 0.00 175.76 174.37 1ci1 s ALA 10 N 1.15 2.67 -0.21 0.00 0.00 -0.24 -0.74 121.76 124.39 1ci1 s ALA 10 Ca -0.05 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 1ci1 s ALA 10 Cb -0.20 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 1ci1 s ALA 10 CO -0.03 0.49 -0.02 0.00 0.00 0.00 0.00 175.76 176.19 1ci1 s ALA 11 N -0.49 2.91 -0.48 0.00 0.00 0.22 -0.24 121.76 123.68 1ci1 s ALA 11 Ca 0.06 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 1ci1 s ALA 11 Cb -0.12 -1.74 0.12 0.00 0.00 0.00 0.00 23.12 21.38 1ci1 s ALA 11 CO 0.02 -0.33 0.30 1.21 0.00 0.00 0.00 175.76 176.96 1ci1 s ASN 12 N 1.31 5.42 0.09 0.00 2.47 0.15 0.46 114.94 124.85 1ci1 s ASN 12 Ca 0.04 -2.16 0.19 0.00 0.42 0.00 0.00 52.86 51.34 1ci1 s ASN 12 Cb -0.14 -1.90 0.79 0.00 -1.45 0.00 0.00 41.25 38.54 1ci1 s ASN 12 CO -0.01 -0.56 1.59 0.79 -3.72 0.00 0.00 177.10 175.19 1ci1 n TRP 13 N 4.47 0.30 -2.87 0.43 8.01 -0.97 -4.29 117.44 122.52 1ci1 n TRP 13 Ca -0.02 0.12 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 1ci1 n TRP 13 Cb 0.41 -0.69 0.00 0.00 -2.01 0.00 0.00 31.31 29.02 1ci1 n TRP 13 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ci1 n LYS 14 N -1.77 0.00 -2.32 -0.99 5.02 -1.26 -3.13 118.16 113.70 1ci1 n LYS 14 Ca 0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 1ci1 n LYS 14 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 1ci1 n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ci1 s ASN 16 N 1.37 -0.00 0.00 0.00 0.01 -1.18 -5.16 114.94 109.98 1ci1 s ASN 16 Ca 0.41 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1ci1 s ASN 16 Cb 0.09 0.44 0.00 0.00 0.41 0.00 0.00 41.25 42.19 1ci1 s ASN 16 CO -0.01 -0.88 0.00 0.61 -1.51 0.00 0.00 177.10 175.31 1ci1 n GLY 17 N -0.20 3.24 3.32 0.66 0.00 -1.26 -4.71 105.19 106.23 1ci1 n GLY 17 Ca -0.10 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 1ci1 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ci1 s SER 18 N 0.00 -0.27 0.13 1.61 1.04 -1.26 -5.02 113.70 109.93 1ci1 s SER 18 Ca 0.00 -0.14 -0.20 0.00 0.48 0.00 0.00 55.95 56.09 1ci1 s SER 18 Cb 0.00 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1ci1 s SER 18 CO 0.00 -0.75 1.70 -0.33 0.98 0.00 0.00 173.24 174.83 1ci1 h GLU 19 N 2.70 -0.03 0.00 4.02 5.08 -2.01 0.18 114.58 124.53 1ci1 h GLU 19 Ca -0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1ci1 h GLU 19 Cb 1.23 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ci1 h GLU 19 CO 0.45 -0.02 -0.07 0.66 -1.00 0.00 0.00 179.01 179.03 1ci1 h SER 20 N -0.03 0.00 0.24 1.42 4.64 -2.01 -1.87 113.55 115.93 1ci1 h SER 20 Ca 0.10 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.07 1ci1 h SER 20 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1ci1 h SER 20 CO -0.21 0.07 -1.75 0.25 -0.87 0.00 0.00 176.83 174.32 1ci1 h LEU 21 N 0.00 0.54 -0.11 5.97 6.46 -1.69 -3.40 115.31 123.09 1ci1 h LEU 21 Ca -0.00 -0.84 -0.23 0.00 -0.12 0.00 0.00 57.88 56.69 1ci1 h LEU 21 Cb 0.19 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1ci1 h LEU 21 CO 0.01 1.72 -1.01 -0.07 -0.62 0.00 0.00 178.44 178.46 1ci1 h LEU 22 N 0.09 0.34 0.11 2.25 3.38 -0.41 -3.28 115.31 117.80 1ci1 h LEU 22 Ca -0.34 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.34 1ci1 h LEU 22 Cb 2.08 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.67 1ci1 h LEU 22 CO 0.16 1.16 -0.39 0.58 0.09 0.00 0.00 178.44 180.04 1ci1 h VAL 23 N 0.11 0.20 -0.80 1.22 2.07 -1.55 1.00 116.25 118.50 1ci1 h VAL 23 Ca -0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1ci1 h VAL 23 Cb 1.69 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1ci1 h VAL 23 CO 0.16 0.00 0.37 -0.65 0.02 0.00 0.00 177.57 177.47 1ci1 h PRO 24 N -0.62 1.17 -0.61 1.57 0.11 -1.79 -1.08 132.00 130.76 1ci1 h PRO 24 Ca 0.03 -0.18 0.01 0.00 0.11 0.00 0.00 66.00 65.97 1ci1 h PRO 24 Cb 0.65 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.52 1ci1 h PRO 24 CO -0.23 0.91 0.39 1.25 -0.21 0.00 0.00 178.00 180.11 1ci1 h LEU 25 N 1.15 0.66 -1.05 2.35 5.85 -1.54 -0.28 115.31 122.45 1ci1 h LEU 25 Ca 0.27 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 1ci1 h LEU 25 Cb 0.14 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1ci1 h LEU 25 CO -0.03 0.47 -0.23 0.40 -0.34 0.00 0.00 178.44 178.71 1ci1 h ILE 26 N 0.79 1.25 -0.21 4.05 2.04 -0.58 -2.33 117.51 122.52 1ci1 h ILE 26 Ca 0.23 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1ci1 h ILE 26 Cb -0.05 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1ci1 h ILE 26 CO -0.07 0.37 0.11 -0.33 0.00 0.00 0.00 178.15 178.23 1ci1 h GLU 27 N 0.35 0.29 -0.79 2.37 5.08 -0.01 -0.98 114.58 120.89 1ci1 h GLU 27 Ca 0.06 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1ci1 h GLU 27 Cb 0.61 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1ci1 h GLU 27 CO 0.04 0.27 0.52 1.15 -1.00 0.00 0.00 179.01 179.99 1ci1 h THR 28 N 0.23 1.19 -0.14 1.13 2.02 -0.86 -1.68 112.91 114.81 1ci1 h THR 28 Ca 0.07 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 1ci1 h THR 28 Cb 0.06 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1ci1 h THR 28 CO -0.01 0.19 -0.29 -0.07 0.37 0.00 0.00 175.52 175.71 1ci1 h LEU 29 N 1.06 0.26 -0.21 2.58 4.07 -0.97 -2.19 115.31 119.91 1ci1 h LEU 29 Ca 0.29 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 1ci1 h LEU 29 Cb -0.10 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 1ci1 h LEU 29 CO -0.07 0.55 -0.12 0.78 -1.08 0.00 0.00 178.44 178.51 1ci1 h ASN 30 N 0.23 0.00 0.60 -0.43 2.35 -0.29 -3.25 115.58 114.79 1ci1 h ASN 30 Ca 0.03 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.64 1ci1 h ASN 30 Cb 0.64 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.98 1ci1 h ASN 30 CO 0.05 0.12 -1.51 0.00 -1.65 0.00 0.00 177.43 174.43 1ci1 n ALA 31 N -2.13 2.06 -2.09 -0.83 0.00 -0.86 -4.78 120.51 111.87 1ci1 n ALA 31 Ca 0.03 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 1ci1 n ALA 31 Cb 0.55 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 1ci1 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ci1 s ALA 32 N -3.00 3.12 -0.60 0.00 0.00 -0.85 -4.95 121.76 115.49 1ci1 s ALA 32 Ca -0.04 0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 1ci1 s ALA 32 Cb 0.09 -3.91 0.15 0.00 0.00 0.00 0.00 23.12 19.45 1ci1 s ALA 32 CO 0.82 -2.20 0.48 0.99 0.00 0.00 0.00 175.76 175.85 1ci1 s THR 33 N 5.77 4.49 0.22 0.00 2.01 -1.26 -4.98 115.64 121.89 1ci1 s THR 33 Ca 0.74 -2.22 -0.28 0.00 0.31 0.00 0.00 61.69 60.24 1ci1 s THR 33 Cb -0.23 -3.89 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 1ci1 s THR 33 CO 0.31 -0.87 0.87 -0.36 -0.69 0.00 0.00 174.62 173.89 1ci1 s PHE 34 N 0.74 3.93 -0.19 4.92 0.08 -1.26 -4.98 117.98 121.22 1ci1 s PHE 34 Ca 0.11 1.79 0.11 0.00 0.12 0.00 0.00 56.93 59.07 1ci1 s PHE 34 Cb -0.21 -2.89 -0.20 0.00 -0.57 0.00 0.00 43.02 39.15 1ci1 s PHE 34 CO -0.03 0.46 -0.03 -0.25 -0.10 0.00 0.00 175.22 175.28 1ci1 n ASP 35 N 1.45 1.13 -4.79 1.36 9.92 -1.26 -5.00 116.55 119.36 1ci1 n ASP 35 Ca -0.03 -0.04 -0.31 0.00 -0.53 0.00 0.00 54.79 53.88 1ci1 n ASP 35 Cb 0.48 0.51 0.08 0.00 -0.64 0.00 0.00 41.12 41.55 1ci1 n ASP 35 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 1ci1 s HIS 36 N -2.44 2.82 -0.29 1.24 -3.43 -1.26 -4.94 115.29 106.99 1ci1 s HIS 36 Ca -0.16 1.39 -0.29 0.00 -0.80 0.00 0.00 55.06 55.20 1ci1 s HIS 36 Cb 0.06 -3.00 -0.02 0.00 -1.43 0.00 0.00 32.58 28.19 1ci1 s HIS 36 CO 0.66 -1.62 1.68 0.34 -2.00 0.00 0.00 174.74 173.81 1ci1 s ASP 37 N -3.66 6.14 -0.20 7.38 2.15 -1.26 -4.96 116.67 122.26 1ci1 s ASP 37 Ca 0.60 1.38 -0.17 0.00 0.43 0.00 0.00 52.55 54.79 1ci1 s ASP 37 Cb -0.15 -2.53 0.06 0.00 -0.30 0.00 0.00 42.92 39.99 1ci1 s ASP 37 CO 0.55 -1.49 0.54 0.54 -0.17 0.00 0.00 175.17 175.14 1ci1 s VAL 38 N 6.03 -0.00 -0.27 1.11 0.11 -1.26 -4.31 120.40 121.80 1ci1 s VAL 38 Ca 0.74 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.71 1ci1 s VAL 38 Cb -0.22 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1ci1 s VAL 38 CO 0.32 0.00 0.14 -1.58 -3.33 0.00 0.00 175.10 170.65 1ci1 s GLN 39 N 0.52 3.76 -0.03 1.54 2.00 -0.54 -4.92 119.66 121.97 1ci1 s GLN 39 Ca -0.02 -0.43 -0.03 0.00 -2.00 0.00 0.00 55.36 52.88 1ci1 s GLN 39 Cb -0.04 -3.51 -0.04 0.00 0.80 0.00 0.00 33.01 30.22 1ci1 s GLN 39 CO -0.02 -0.21 0.13 0.00 -0.50 0.00 0.00 175.29 174.68 1ci1 s VAL 41 N -1.20 -0.02 -0.06 0.00 1.01 0.08 -0.88 120.40 119.33 1ci1 s VAL 41 Ca 0.23 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.42 1ci1 s VAL 41 Cb -0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 1ci1 s VAL 41 CO 0.13 0.08 -0.23 0.68 0.00 0.00 0.00 175.10 175.76 1ci1 s VAL 42 N 0.83 2.28 -0.43 2.92 -7.23 -0.45 0.72 120.40 119.03 1ci1 s VAL 42 Ca -0.07 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 1ci1 s VAL 42 Cb -0.10 -1.84 0.12 0.00 0.56 0.00 0.00 36.38 35.11 1ci1 s VAL 42 CO -0.02 0.57 0.17 0.00 -0.31 0.00 0.00 175.10 175.51 1ci1 s ALA 43 N -0.22 2.93 0.73 1.32 0.00 0.17 -1.09 121.76 125.60 1ci1 s ALA 43 Ca -0.01 -2.83 -0.05 0.00 0.00 0.00 0.00 51.96 49.07 1ci1 s ALA 43 Cb -0.13 -2.03 0.10 0.00 0.00 0.00 0.00 23.12 21.06 1ci1 s ALA 43 CO 0.03 -1.88 1.02 -1.25 0.00 0.00 0.00 175.76 173.68 1ci1 s PRO 44 N 0.34 1.81 0.83 0.00 0.05 -1.25 -2.29 135.00 134.49 1ci1 s PRO 44 Ca 0.14 -0.69 -0.11 0.00 0.05 0.00 0.00 61.00 60.39 1ci1 s PRO 44 Cb -0.23 -2.23 0.09 0.00 0.05 0.00 0.00 34.50 32.18 1ci1 s PRO 44 CO -0.05 -1.42 1.09 0.95 0.05 0.00 0.00 177.00 177.62 1ci1 s THR 45 N -3.23 3.02 0.25 1.26 -4.23 -1.26 -4.28 115.64 107.16 1ci1 s THR 45 Ca 0.64 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 61.45 1ci1 s THR 45 Cb -0.07 -2.88 0.22 0.00 1.34 0.00 0.00 72.50 71.10 1ci1 s THR 45 CO 0.45 -0.43 1.81 -0.26 -0.54 0.00 0.00 174.62 175.64 1ci1 h PHE 46 N -1.29 0.86 0.00 3.99 0.04 -1.97 -0.96 116.94 117.62 1ci1 h PHE 46 Ca -0.47 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.31 1ci1 h PHE 46 Cb 1.26 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 1ci1 h PHE 46 CO 0.49 0.35 -0.09 1.25 -0.60 0.00 0.00 178.31 179.71 1ci1 h LEU 47 N 0.79 0.00 -1.86 1.54 5.85 -2.02 -2.88 115.31 116.73 1ci1 h LEU 47 Ca 0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1ci1 h LEU 47 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1ci1 h LEU 47 CO -0.25 0.09 0.00 1.41 -0.34 0.00 0.00 178.44 179.34 1ci1 n HIS 48 N -3.44 0.02 -0.15 1.25 8.25 -0.42 -4.44 115.22 116.29 1ci1 n HIS 48 Ca -0.01 -0.01 -0.09 0.00 -0.26 0.00 0.00 57.72 57.34 1ci1 n HIS 48 Cb 0.24 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.34 1ci1 n HIS 48 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1ci1 h ILE 49 N 4.22 1.23 -0.30 1.59 2.04 -1.17 -2.47 117.51 122.65 1ci1 h ILE 49 Ca 0.00 -0.76 0.06 0.00 1.00 0.00 0.00 64.86 65.16 1ci1 h ILE 49 Cb 0.90 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 1ci1 h ILE 49 CO 0.00 0.27 -0.07 -0.65 0.00 0.00 0.00 178.15 177.70 1ci1 h PRO 50 N 0.56 0.00 -0.13 2.37 0.11 -1.78 -0.43 132.00 132.70 1ci1 h PRO 50 Ca 0.14 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.12 1ci1 h PRO 50 Cb 0.29 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1ci1 h PRO 50 CO -0.00 0.00 -0.48 0.00 -0.21 0.00 0.00 178.00 177.32 1ci1 h MET 51 N 0.00 0.34 -0.42 1.05 -0.00 -1.84 -2.56 114.93 111.50 1ci1 h MET 51 Ca 0.15 -0.19 -0.10 0.00 -0.00 0.00 0.00 59.70 59.56 1ci1 h MET 51 Cb 0.22 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.82 1ci1 h MET 51 CO -0.31 0.75 -0.11 1.15 -0.00 0.00 0.00 176.91 178.39 1ci1 h THR 52 N 0.27 1.27 0.00 -0.10 2.02 -1.13 -1.54 112.91 113.71 1ci1 h THR 52 Ca 0.02 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1ci1 h THR 52 Cb 0.94 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1ci1 h THR 52 CO 0.08 0.41 0.00 0.50 0.37 0.00 0.00 175.52 176.88 1ci1 h LYS 53 N 0.64 0.00 0.15 6.66 3.64 -1.02 0.19 116.57 126.83 1ci1 h LYS 53 Ca 0.11 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.14 1ci1 h LYS 53 Cb 0.64 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1ci1 h LYS 53 CO 0.04 0.00 -1.76 0.00 -2.27 0.00 0.00 179.45 175.47 1ci1 h ALA 54 N 2.12 0.27 0.01 5.00 0.00 -1.07 -3.41 119.26 122.18 1ci1 h ALA 54 Ca 0.00 -1.21 -0.35 0.00 0.00 0.00 0.00 54.91 53.35 1ci1 h ALA 54 Cb 0.48 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1ci1 h ALA 54 CO 0.00 1.14 -2.22 0.54 0.00 0.00 0.00 179.25 178.71 1ci1 n ARG 55 N -3.51 0.67 -1.89 0.00 1.74 -0.61 -4.88 116.66 108.18 1ci1 n ARG 55 Ca -0.24 0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.53 1ci1 n ARG 55 Cb 1.06 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.88 1ci1 n ARG 55 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1ci1 s LEU 56 N -5.88 3.43 0.00 0.55 2.96 0.64 -4.81 118.68 115.57 1ci1 s LEU 56 Ca -0.13 1.12 0.14 0.00 -0.22 0.00 0.00 54.13 55.03 1ci1 s LEU 56 Cb 0.07 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.62 1ci1 s LEU 56 CO 0.79 -2.08 0.75 0.35 -1.32 0.00 0.00 176.35 174.85 1ci1 n THR 57 N 7.50 0.00 -1.88 3.68 -2.24 -1.26 -4.89 114.28 115.18 1ci1 n THR 57 Ca 0.25 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 1ci1 n THR 57 Cb 0.49 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 1ci1 n THR 57 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ci1 s ASN 58 N -1.74 5.94 0.63 3.42 3.84 -1.26 -4.85 114.94 120.92 1ci1 s ASN 58 Ca 0.11 1.68 0.34 0.00 0.21 0.00 0.00 52.86 55.20 1ci1 s ASN 58 Cb 0.11 -2.52 1.85 0.00 -0.55 0.00 0.00 41.25 40.14 1ci1 s ASN 58 CO 0.36 -1.60 2.04 1.55 -2.79 0.00 0.00 177.10 176.66 1ci1 h PRO 59 N 12.73 0.00 -0.00 0.43 0.13 -1.98 0.10 132.00 143.41 1ci1 h PRO 59 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1ci1 h PRO 59 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ci1 h PRO 59 CO 0.99 0.00 -0.06 1.63 -0.23 0.00 0.00 178.00 180.33 1ci1 n LYS 60 N -2.88 0.85 -4.07 0.86 5.02 -1.26 -4.87 118.16 111.80 1ci1 n LYS 60 Ca -0.02 -0.25 -0.31 0.00 -2.02 0.00 0.00 58.31 55.70 1ci1 n LYS 60 Cb 0.25 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1ci1 n LYS 60 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ci1 s PHE 61 N -2.32 3.23 0.08 2.13 0.40 0.35 -1.00 117.98 120.84 1ci1 s PHE 61 Ca 0.34 0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.83 1ci1 s PHE 61 Cb 0.21 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 1ci1 s PHE 61 CO 0.43 0.53 -0.11 -0.65 0.70 0.00 0.00 175.22 176.13 1ci1 s GLN 62 N -2.14 0.78 -0.12 0.44 -1.52 -0.06 -4.95 119.66 112.09 1ci1 s GLN 62 Ca 0.27 -1.03 -0.03 0.00 -1.95 0.00 0.00 55.36 52.62 1ci1 s GLN 62 Cb -0.12 -0.56 -0.03 0.00 -0.22 0.00 0.00 33.01 32.08 1ci1 s GLN 62 CO 0.19 0.10 -0.02 0.42 -0.25 0.00 0.00 175.29 175.73 1ci1 s ILE 63 N -1.93 4.10 0.24 1.08 1.01 -1.26 -1.34 121.20 123.11 1ci1 s ILE 63 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 60.65 60.44 1ci1 s ILE 63 Cb -0.06 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 1ci1 s ILE 63 CO 0.01 0.54 -0.15 0.00 0.00 0.00 0.00 174.94 175.34 1ci1 s ALA 64 N -0.20 2.32 0.18 9.38 0.00 -0.25 -3.83 121.76 129.36 1ci1 s ALA 64 Ca 0.04 -1.78 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 1ci1 s ALA 64 Cb -0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1ci1 s ALA 64 CO 0.02 0.11 0.37 0.00 0.00 0.00 0.00 175.76 176.26 1ci1 s ALA 65 N -2.83 3.85 -1.27 0.00 0.00 -0.60 -3.82 121.76 117.09 1ci1 s ALA 65 Ca 0.26 -0.82 0.28 0.00 0.00 0.00 0.00 51.96 51.68 1ci1 s ALA 65 Cb -0.01 -1.98 1.16 0.00 0.00 0.00 0.00 23.12 22.29 1ci1 s ALA 65 CO 0.10 0.49 1.84 1.04 0.00 0.00 0.00 175.76 179.24 1ci1 n GLN 66 N -0.52 0.28 -3.81 0.00 6.02 -1.26 -1.06 117.38 117.03 1ci1 n GLN 66 Ca -0.05 -0.07 0.03 0.00 -0.01 0.00 0.00 57.00 56.90 1ci1 n GLN 66 Cb 0.53 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.30 1ci1 n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ci1 s ASN 67 N -2.77 -0.01 -0.18 1.08 2.47 -1.22 -4.57 114.94 109.74 1ci1 s ASN 67 Ca 0.21 -0.10 -0.35 0.00 0.42 0.00 0.00 52.86 53.04 1ci1 s ASN 67 Cb 0.19 0.08 0.15 0.00 -1.45 0.00 0.00 41.25 40.22 1ci1 s ASN 67 CO 0.53 -0.16 1.35 0.00 -3.72 0.00 0.00 177.10 175.10 1ci1 s ALA 68 N -2.10 -2.27 0.26 1.71 0.00 -1.26 -4.92 121.76 113.17 1ci1 s ALA 68 Ca 0.23 1.41 0.11 0.00 0.00 0.00 0.00 51.96 53.71 1ci1 s ALA 68 Cb 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1ci1 s ALA 68 CO -0.03 -0.77 -0.13 0.96 0.00 0.00 0.00 175.76 175.79 1ci1 s ILE 69 N -2.17 2.86 0.45 0.00 -4.36 -0.19 -4.94 121.20 112.86 1ci1 s ILE 69 Ca 0.13 -2.13 0.22 0.00 -0.26 0.00 0.00 60.65 58.61 1ci1 s ILE 69 Cb 0.02 -2.49 0.25 0.00 1.25 0.00 0.00 42.46 41.49 1ci1 s ILE 69 CO -0.04 -0.33 2.06 0.71 0.24 0.00 0.00 174.94 177.58 1ci1 h THR 70 N 2.28 0.80 -3.64 8.37 1.35 -1.92 -1.90 112.91 118.26 1ci1 h THR 70 Ca -0.43 -0.50 -0.09 0.00 -0.55 0.00 0.00 66.41 64.84 1ci1 h THR 70 Cb 1.25 1.30 -0.15 0.00 -1.73 0.00 0.00 68.15 68.81 1ci1 h THR 70 CO 0.58 0.13 -0.32 0.00 -0.25 0.00 0.00 175.52 175.66 1ci1 s ARG 71 N -4.44 0.83 0.64 4.72 1.70 -1.26 -4.65 118.95 116.48 1ci1 s ARG 71 Ca -0.04 -0.79 -0.11 0.00 -0.47 0.00 0.00 55.73 54.32 1ci1 s ARG 71 Cb 0.14 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 1ci1 s ARG 71 CO 0.63 -0.27 1.04 -1.12 -1.08 0.00 0.00 175.30 174.50 1ci1 s SER 72 N -2.57 6.06 0.00 -2.89 0.01 -1.26 -4.73 113.70 108.31 1ci1 s SER 72 Ca 0.01 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1ci1 s SER 72 Cb 0.02 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1ci1 s SER 72 CO -0.08 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.20 1ci1 n GLY 73 N -2.80 0.46 2.67 3.44 0.00 -1.26 -4.97 105.19 102.74 1ci1 n GLY 73 Ca 0.06 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 1ci1 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ci1 n ALA 74 N -0.75 5.72 -3.32 4.61 0.00 -1.26 -4.66 120.51 120.84 1ci1 n ALA 74 Ca 0.00 -3.68 -0.25 0.00 0.00 0.00 0.00 53.44 49.50 1ci1 n ALA 74 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 19.45 15.87 1ci1 n ALA 74 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ci1 n PHE 75 N 5.64 1.10 -1.61 0.00 3.72 -1.26 -5.10 117.46 119.95 1ci1 n PHE 75 Ca 0.57 -3.77 -0.55 0.00 -0.05 0.00 0.00 57.45 53.64 1ci1 n PHE 75 Cb 0.35 -0.38 -0.07 0.00 -0.94 0.00 0.00 39.48 38.44 1ci1 n PHE 75 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ci1 n THR 76 N 1.38 0.07 0.00 4.37 -1.04 -1.26 -1.76 114.28 116.05 1ci1 n THR 76 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1ci1 n THR 76 Cb 0.48 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1ci1 n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ci1 n GLY 77 N 2.84 2.13 3.97 3.41 0.00 -1.26 -5.05 105.19 111.24 1ci1 n GLY 77 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1ci1 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ci1 s GLU 78 N -0.50 3.16 -0.05 1.61 0.41 -0.72 -5.12 118.70 117.49 1ci1 s GLU 78 Ca 0.00 -0.77 0.04 0.00 -0.41 0.00 0.00 54.97 53.83 1ci1 s GLU 78 Cb 0.00 -2.73 -0.00 0.00 -1.78 0.00 0.00 34.13 29.61 1ci1 s GLU 78 CO 0.00 0.00 -0.17 0.08 -0.49 0.00 0.00 175.26 174.68 1ci1 s VAL 79 N -2.28 1.48 0.43 2.63 1.01 -1.26 -5.01 120.40 117.40 1ci1 s VAL 79 Ca 0.45 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1ci1 s VAL 79 Cb -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1ci1 s VAL 79 CO 0.33 0.43 0.61 -0.94 0.00 0.00 0.00 175.10 175.53 1ci1 s SER 80 N 0.15 5.73 0.37 3.32 1.04 -1.26 -1.02 113.70 122.04 1ci1 s SER 80 Ca -0.07 -0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.43 1ci1 s SER 80 Cb -0.13 -1.17 0.72 0.00 0.10 0.00 0.00 66.02 65.54 1ci1 s SER 80 CO 0.03 -0.72 1.86 -0.07 0.98 0.00 0.00 173.24 175.32 1ci1 h LEU 81 N 0.52 0.17 -0.43 2.42 3.38 -1.61 -1.98 115.31 117.78 1ci1 h LEU 81 Ca -0.44 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.32 1ci1 h LEU 81 Cb 1.27 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ci1 h LEU 81 CO 0.53 0.42 -0.48 1.56 0.09 0.00 0.00 178.44 180.55 1ci1 h GLN 82 N 0.16 0.77 -0.41 1.13 7.50 -1.87 -0.13 115.11 122.26 1ci1 h GLN 82 Ca 0.03 -0.45 -0.15 0.00 0.50 0.00 0.00 58.65 58.57 1ci1 h GLN 82 Cb 0.52 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.08 1ci1 h GLN 82 CO 0.04 1.08 -0.34 0.82 -1.50 0.00 0.00 178.83 178.92 1ci1 h ILE 83 N 0.61 1.27 -0.65 2.54 2.04 -1.89 -1.89 117.51 119.54 1ci1 h ILE 83 Ca 0.03 -1.51 -0.05 0.00 1.00 0.00 0.00 64.86 64.33 1ci1 h ILE 83 Cb 1.06 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 1ci1 h ILE 83 CO 0.10 0.51 0.23 -0.07 0.00 0.00 0.00 178.15 178.92 1ci1 h LEU 84 N 0.79 0.93 -0.57 1.44 3.38 -1.25 -2.85 115.31 117.18 1ci1 h LEU 84 Ca 0.07 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1ci1 h LEU 84 Cb 0.93 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ci1 h LEU 84 CO 0.09 0.88 0.16 0.50 0.09 0.00 0.00 178.44 180.16 1ci1 h LYS 85 N 0.94 0.90 0.00 1.13 3.64 -0.84 -2.25 116.57 120.08 1ci1 h LYS 85 Ca 0.21 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1ci1 h LYS 85 Cb 0.26 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ci1 h LYS 85 CO -0.01 0.82 -0.11 0.22 -2.27 0.00 0.00 179.45 178.10 1ci1 h ASP 86 N 0.81 0.00 0.53 4.20 3.58 -1.24 -1.12 116.42 123.18 1ci1 h ASP 86 Ca 0.18 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1ci1 h ASP 86 Cb 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1ci1 h ASP 86 CO -0.00 0.11 -0.06 0.00 -2.88 0.00 0.00 179.24 176.41 1ci1 n TYR 87 N -3.98 0.00 -0.50 0.28 9.36 -0.91 -4.91 117.16 116.49 1ci1 n TYR 87 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1ci1 n TYR 87 Cb 0.20 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.65 1ci1 n TYR 87 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ci1 n GLY 88 N 1.31 0.70 3.76 2.98 0.00 -0.42 -5.07 105.19 108.45 1ci1 n GLY 88 Ca 0.13 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 1ci1 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ci1 s ILE 89 N -2.00 5.31 -0.07 -0.61 -1.09 -0.90 -4.99 121.20 116.86 1ci1 s ILE 89 Ca 0.00 0.49 0.10 0.00 -2.23 0.00 0.00 60.65 59.01 1ci1 s ILE 89 Cb 0.00 -3.59 0.16 0.00 -1.58 0.00 0.00 42.46 37.45 1ci1 s ILE 89 CO 0.00 0.45 1.08 -1.54 -1.23 0.00 0.00 174.94 173.70 1ci1 n SER 90 N 3.15 1.24 -3.99 3.58 3.41 -1.26 -4.12 113.62 115.63 1ci1 n SER 90 Ca -0.14 -2.59 -0.17 0.00 -0.26 0.00 0.00 58.87 55.71 1ci1 n SER 90 Cb 0.52 -0.33 -0.15 0.00 -0.26 0.00 0.00 64.21 64.00 1ci1 n SER 90 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1ci1 s TRP 91 N -1.53 0.64 -0.12 7.33 0.52 -1.25 -0.89 118.94 123.64 1ci1 s TRP 91 Ca 0.18 -0.12 -0.11 0.00 0.02 0.00 0.00 56.10 56.07 1ci1 s TRP 91 Cb 0.16 -0.41 0.03 0.00 -1.15 0.00 0.00 33.47 32.10 1ci1 s TRP 91 CO 0.01 -0.01 0.32 0.54 0.02 0.00 0.00 176.95 177.83 1ci1 s VAL 92 N -0.14 -0.00 -0.20 4.03 0.11 -0.89 -1.56 120.40 121.75 1ci1 s VAL 92 Ca 0.02 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 58.94 1ci1 s VAL 92 Cb -0.03 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1ci1 s VAL 92 CO -0.00 0.01 0.37 -0.69 -3.33 0.00 0.00 175.10 171.46 1ci1 s VAL 93 N 0.33 5.22 0.06 2.04 1.01 -0.23 -1.77 120.40 127.06 1ci1 s VAL 93 Ca -0.01 0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.68 1ci1 s VAL 93 Cb -0.03 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1ci1 s VAL 93 CO -0.01 0.28 -0.15 -0.76 0.00 0.00 0.00 175.10 174.46 1ci1 s LEU 94 N 1.16 2.23 -0.99 3.92 1.43 -0.12 -3.45 118.68 122.86 1ci1 s LEU 94 Ca 0.18 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1ci1 s LEU 94 Cb -0.14 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.48 1ci1 s LEU 94 CO 0.07 -0.01 0.03 0.61 0.23 0.00 0.00 176.35 177.29 1ci1 n GLY 95 N 1.57 -0.10 3.76 -3.19 0.00 -1.26 -1.75 105.19 104.22 1ci1 n GLY 95 Ca -0.19 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1ci1 n GLY 95 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ci1 s HIS 96 N -2.62 2.44 0.41 1.61 2.46 -1.26 -4.15 115.29 114.19 1ci1 s HIS 96 Ca 0.02 1.28 0.15 0.00 0.47 0.00 0.00 55.06 56.97 1ci1 s HIS 96 Cb -0.01 -3.90 1.01 0.00 -0.13 0.00 0.00 32.58 29.55 1ci1 s HIS 96 CO 0.02 -2.92 1.90 0.66 -2.47 0.00 0.00 174.74 171.93 1ci1 h SER 97 N 2.22 0.45 -0.17 9.88 4.64 -1.93 0.63 113.55 129.27 1ci1 h SER 97 Ca -0.51 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1ci1 h SER 97 Cb 1.27 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1ci1 h SER 97 CO 0.61 0.22 0.04 -0.33 -0.87 0.00 0.00 176.83 176.50 1ci1 h GLU 98 N 0.47 0.36 0.02 4.77 5.08 -1.99 0.12 114.58 123.41 1ci1 h GLU 98 Ca 0.40 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.50 1ci1 h GLU 98 Cb 0.88 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1ci1 h GLU 98 CO -0.15 0.36 -0.98 0.00 -1.00 0.00 0.00 179.01 177.25 1ci1 h ARG 99 N 0.36 0.05 -0.28 2.33 3.08 -1.26 -2.07 114.38 116.59 1ci1 h ARG 99 Ca 0.09 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 1ci1 h ARG 99 Cb 0.18 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1ci1 h ARG 99 CO -0.00 0.98 -0.33 0.00 -1.07 0.00 0.00 179.97 179.55 1ci1 h ARG 100 N 0.02 0.73 0.21 0.04 3.08 -0.32 -2.18 114.38 115.96 1ci1 h ARG 100 Ca -0.03 -0.40 -0.34 0.00 0.07 0.00 0.00 59.98 59.28 1ci1 h ARG 100 Cb 1.69 0.02 0.02 0.00 0.08 0.00 0.00 29.97 31.79 1ci1 h ARG 100 CO 0.13 1.02 -1.57 -0.07 -1.07 0.00 0.00 179.97 178.41 1ci1 h LEU 101 N 0.47 0.69 0.01 3.04 -0.00 -0.87 -3.31 115.31 115.35 1ci1 h LEU 101 Ca 0.04 -0.85 -0.35 0.00 -0.00 0.00 0.00 57.88 56.72 1ci1 h LEU 101 Cb 0.91 -0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 41.29 1ci1 h LEU 101 CO 0.08 1.69 -2.16 -1.22 -0.00 0.00 0.00 178.44 176.83 1ci1 n TYR 102 N -3.63 0.41 -1.63 1.13 4.01 -0.78 -4.58 117.16 112.08 1ci1 n TYR 102 Ca -0.19 0.13 -0.14 0.00 -0.16 0.00 0.00 57.90 57.54 1ci1 n TYR 102 Cb 1.08 -1.07 0.13 0.00 -0.31 0.00 0.00 39.34 39.17 1ci1 n TYR 102 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ci1 n TYR 103 N -2.97 1.81 -4.15 -0.72 4.01 -0.84 -4.99 117.16 109.31 1ci1 n TYR 103 Ca -0.30 -1.99 -0.33 0.00 -0.16 0.00 0.00 57.90 55.12 1ci1 n TYR 103 Cb 1.10 -0.56 -0.03 0.00 -0.31 0.00 0.00 39.34 39.54 1ci1 n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ci1 n GLY 104 N -0.97 -0.37 3.44 2.72 0.00 -1.22 -4.91 105.19 103.88 1ci1 n GLY 104 Ca 0.40 0.14 -0.44 0.00 0.00 0.00 0.00 46.02 46.12 1ci1 n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ci1 s GLU 105 N -6.85 3.13 0.64 1.61 2.02 -1.10 -5.01 118.70 113.13 1ci1 s GLU 105 Ca 0.50 -0.90 -0.09 0.00 0.02 0.00 0.00 54.97 54.51 1ci1 s GLU 105 Cb -0.27 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 29.83 1ci1 s GLU 105 CO 0.92 -1.33 0.99 0.95 0.02 0.00 0.00 175.26 176.81 1ci1 s THR 106 N 2.84 3.79 0.30 3.63 -4.23 -1.26 -4.42 115.64 116.28 1ci1 s THR 106 Ca 0.16 0.33 0.05 0.00 -1.18 0.00 0.00 61.69 61.05 1ci1 s THR 106 Cb -0.19 -3.54 0.29 0.00 1.34 0.00 0.00 72.50 70.40 1ci1 s THR 106 CO 0.12 -0.64 1.72 0.78 -0.54 0.00 0.00 174.62 176.06 1ci1 h ASN 107 N -0.38 0.51 -0.48 3.99 -0.26 -1.96 -0.27 115.58 116.74 1ci1 h ASN 107 Ca -0.45 0.13 -0.12 0.00 -0.56 0.00 0.00 56.30 55.31 1ci1 h ASN 107 Cb 1.24 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 38.55 1ci1 h ASN 107 CO 0.62 0.09 -0.14 -0.33 -1.06 0.00 0.00 177.43 176.61 1ci1 h GLU 108 N 0.52 0.97 -0.53 0.81 3.07 -1.93 -1.08 114.58 116.41 1ci1 h GLU 108 Ca 0.57 -0.37 -0.04 0.00 -0.50 0.00 0.00 59.36 59.02 1ci1 h GLU 108 Cb 1.02 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.85 1ci1 h GLU 108 CO -0.47 1.04 0.16 0.82 -1.40 0.00 0.00 179.01 179.16 1ci1 h ILE 109 N 0.86 1.23 -0.31 3.13 1.08 -1.45 -1.51 117.51 120.53 1ci1 h ILE 109 Ca 0.13 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.78 1ci1 h ILE 109 Cb 0.70 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1ci1 h ILE 109 CO 0.05 0.29 0.09 0.58 -0.69 0.00 0.00 178.15 178.47 1ci1 h VAL 110 N 0.74 1.21 -0.80 1.67 2.07 -1.13 -2.06 116.25 117.95 1ci1 h VAL 110 Ca 0.17 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.05 1ci1 h VAL 110 Cb 0.28 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1ci1 h VAL 110 CO -0.00 0.23 0.52 0.00 0.02 0.00 0.00 177.57 178.34 1ci1 h ALA 111 N 0.92 1.57 0.20 1.67 0.00 -1.00 -0.41 119.26 122.20 1ci1 h ALA 111 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ci1 h ALA 111 Cb 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ci1 h ALA 111 CO -0.00 0.33 -0.09 0.93 0.00 0.00 0.00 179.25 180.42 1ci1 h GLU 112 N 0.93 -0.26 -0.59 0.00 5.08 -0.91 -1.83 114.58 117.00 1ci1 h GLU 112 Ca 0.33 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1ci1 h GLU 112 Cb 0.13 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1ci1 h GLU 112 CO -0.11 -0.10 0.35 0.87 -1.00 0.00 0.00 179.01 179.02 1ci1 h LYS 113 N -0.35 0.66 -0.28 2.33 1.57 -0.68 -1.88 116.57 117.94 1ci1 h LYS 113 Ca -0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1ci1 h LYS 113 Cb 0.27 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1ci1 h LYS 113 CO 0.04 0.44 0.13 0.28 -0.57 0.00 0.00 179.45 179.77 1ci1 h VAL 114 N 0.68 1.16 -0.60 0.50 2.07 -1.03 -0.19 116.25 118.84 1ci1 h VAL 114 Ca 0.24 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1ci1 h VAL 114 Cb 0.06 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1ci1 h VAL 114 CO -0.12 0.17 0.36 0.00 0.02 0.00 0.00 177.57 178.00 1ci1 h ALA 115 N 0.98 0.78 -0.27 1.67 0.00 -1.11 0.21 119.26 121.51 1ci1 h ALA 115 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ci1 h ALA 115 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ci1 h ALA 115 CO -0.01 0.08 0.09 1.96 0.00 0.00 0.00 179.25 181.37 1ci1 h GLN 116 N 0.70 0.42 -0.24 0.00 1.08 -1.14 -2.30 115.11 113.61 1ci1 h GLN 116 Ca 0.25 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1ci1 h GLN 116 Cb 0.06 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1ci1 h GLN 116 CO -0.12 0.47 0.12 0.00 -0.95 0.00 0.00 178.83 178.35 1ci1 h ALA 117 N 0.93 0.29 -0.50 3.87 0.00 -0.53 -0.62 119.26 122.70 1ci1 h ALA 117 Ca 0.09 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ci1 h ALA 117 Cb 0.22 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1ci1 h ALA 117 CO -0.00 -0.29 0.24 0.00 0.00 0.00 0.00 179.25 179.20 1ci1 h ALA 119 N 1.28 1.32 0.00 0.00 0.00 -1.11 -0.75 119.26 120.00 1ci1 h ALA 119 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ci1 h ALA 119 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ci1 h ALA 119 CO -0.17 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1ci1 n ALA 120 N -2.45 1.70 -0.21 0.00 0.00 -0.27 -4.86 120.51 114.42 1ci1 n ALA 120 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ci1 n ALA 120 Cb 0.14 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1ci1 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ci1 n GLY 121 N 0.07 0.89 3.84 0.00 0.00 -0.29 -5.07 105.19 104.64 1ci1 n GLY 121 Ca 0.03 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1ci1 n GLY 121 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ci1 s PHE 122 N -2.00 3.32 -0.23 1.61 0.40 -0.38 -5.00 117.98 115.70 1ci1 s PHE 122 Ca 0.00 1.39 -0.10 0.00 -0.60 0.00 0.00 56.93 57.62 1ci1 s PHE 122 Cb 0.00 -2.83 -0.05 0.00 0.51 0.00 0.00 43.02 40.65 1ci1 s PHE 122 CO 0.00 -0.92 0.15 -1.01 0.70 0.00 0.00 175.22 174.14 1ci1 s HIS 123 N -2.98 3.34 -0.07 0.36 3.76 -0.07 -4.51 115.29 115.13 1ci1 s HIS 123 Ca 0.58 0.25 0.03 0.00 -0.15 0.00 0.00 55.06 55.77 1ci1 s HIS 123 Cb -0.13 -2.24 -0.02 0.00 1.11 0.00 0.00 32.58 31.30 1ci1 s HIS 123 CO 0.50 0.12 -0.16 0.08 -0.85 0.00 0.00 174.74 174.44 1ci1 s VAL 124 N 0.87 2.92 -0.38 -0.90 1.01 0.87 -2.09 120.40 122.71 1ci1 s VAL 124 Ca 0.08 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1ci1 s VAL 124 Cb -0.13 -2.15 0.07 0.00 0.00 0.00 0.00 36.38 34.17 1ci1 s VAL 124 CO 0.03 0.58 0.17 -0.63 0.00 0.00 0.00 175.10 175.24 1ci1 s ILE 125 N -0.46 3.73 -0.21 2.22 1.01 -0.73 0.41 121.20 127.18 1ci1 s ILE 125 Ca 0.06 -1.46 -0.13 0.00 0.00 0.00 0.00 60.65 59.12 1ci1 s ILE 125 Cb -0.12 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 1ci1 s ILE 125 CO 0.02 -0.39 0.27 -0.69 0.00 0.00 0.00 174.94 174.14 1ci1 s VAL 126 N 1.33 5.30 -0.13 2.92 1.01 0.26 -0.95 120.40 130.15 1ci1 s VAL 126 Ca 0.02 0.44 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 1ci1 s VAL 126 Cb -0.21 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1ci1 s VAL 126 CO 0.01 0.33 0.30 0.00 0.00 0.00 0.00 175.10 175.74 1ci1 s VAL 128 N 0.09 1.13 0.00 0.00 -7.23 -0.65 -4.69 120.40 109.05 1ci1 s VAL 128 Ca 0.18 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1ci1 s VAL 128 Cb -0.14 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.31 1ci1 s VAL 128 CO 0.06 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 1ci1 n GLY 129 N 0.43 2.75 3.76 2.32 0.00 -1.26 -1.80 105.19 111.40 1ci1 n GLY 129 Ca -0.15 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 1ci1 n GLY 129 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ci1 s GLU 130 N -1.80 2.77 0.73 1.61 1.03 -1.26 -4.79 118.70 116.99 1ci1 s GLU 130 Ca 0.00 -0.92 -0.07 0.00 0.03 0.00 0.00 54.97 54.02 1ci1 s GLU 130 Cb 0.00 -2.58 0.08 0.00 -0.80 0.00 0.00 34.13 30.83 1ci1 s GLU 130 CO 0.00 0.48 1.04 0.95 -1.33 0.00 0.00 175.26 176.40 1ci1 s THR 131 N -1.72 2.24 0.14 1.83 -4.23 -1.26 -2.09 115.64 110.56 1ci1 s THR 131 Ca 0.30 -0.28 -0.17 0.00 -1.18 0.00 0.00 61.69 60.36 1ci1 s THR 131 Cb -0.10 -2.96 -0.00 0.00 1.34 0.00 0.00 72.50 70.78 1ci1 s THR 131 CO 0.22 0.00 1.76 -1.13 -0.54 0.00 0.00 174.62 174.93 1ci1 h ASN 132 N -0.69 0.17 0.28 3.99 -1.24 -1.96 -1.78 115.58 114.34 1ci1 h ASN 132 Ca -0.44 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 56.52 1ci1 h ASN 132 Cb 1.30 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.34 1ci1 h ASN 132 CO 0.56 0.13 -0.34 -0.08 -1.29 0.00 0.00 177.43 176.42 1ci1 h GLU 133 N 0.28 0.09 -0.16 6.67 4.22 -1.99 -1.29 114.58 122.41 1ci1 h GLU 133 Ca 0.13 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.39 1ci1 h GLU 133 Cb 0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1ci1 h GLU 133 CO -0.12 0.42 -0.52 0.93 -2.18 0.00 0.00 179.01 177.55 1ci1 h GLU 134 N 0.08 0.45 -0.02 1.92 5.08 -1.83 -1.75 114.58 118.51 1ci1 h GLU 134 Ca 0.01 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1ci1 h GLU 134 Cb 0.64 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1ci1 h GLU 134 CO 0.05 0.86 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.71 1ci1 h ARG 135 N 0.35 0.12 -0.87 2.33 2.43 -0.99 0.24 114.38 118.00 1ci1 h ARG 135 Ca 0.01 -0.10 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1ci1 h ARG 135 Cb 1.03 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.54 1ci1 h ARG 135 CO 0.09 0.76 0.56 0.93 -1.51 0.00 0.00 179.97 180.80 1ci1 h GLU 136 N -0.48 0.86 0.00 0.20 5.08 -1.26 0.55 114.58 119.52 1ci1 h GLU 136 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ci1 h GLU 136 Cb 0.78 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ci1 h GLU 136 CO 0.02 0.57 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 1ci1 n ALA 137 N -2.41 2.47 -3.04 3.43 0.00 -0.66 -4.88 120.51 115.42 1ci1 n ALA 137 Ca 0.14 -0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 1ci1 n ALA 137 Cb 0.28 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.41 1ci1 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ci1 n GLY 138 N 0.61 -0.18 0.49 0.00 0.00 0.19 -4.93 105.19 101.38 1ci1 n GLY 138 Ca 0.16 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1ci1 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ci1 n ARG 139 N -3.46 2.90 -0.16 1.61 5.12 0.84 -4.79 116.66 118.73 1ci1 n ARG 139 Ca -0.04 -1.93 -0.10 0.00 -1.93 0.00 0.00 57.85 53.85 1ci1 n ARG 139 Cb 0.57 -1.21 -0.07 0.00 -1.16 0.00 0.00 32.46 30.58 1ci1 n ARG 139 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1ci1 h THR 140 N 1.55 0.00 -0.58 0.55 2.02 -1.83 -0.73 112.91 113.89 1ci1 h THR 140 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1ci1 h THR 140 Cb 0.68 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 1ci1 h THR 140 CO 0.00 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.00 1ci1 h ALA 141 N -0.25 0.67 -0.25 6.16 0.00 -1.94 -1.44 119.26 122.21 1ci1 h ALA 141 Ca 0.07 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1ci1 h ALA 141 Cb 0.41 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ci1 h ALA 141 CO -0.51 -0.31 0.11 0.00 0.00 0.00 0.00 179.25 178.54 1ci1 h ALA 142 N 1.47 0.30 0.87 0.00 0.00 -1.76 -2.41 119.26 117.72 1ci1 h ALA 142 Ca 0.30 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1ci1 h ALA 142 Cb 0.44 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ci1 h ALA 142 CO -0.40 -0.29 -0.44 0.28 0.00 0.00 0.00 179.25 178.40 1ci1 h VAL 143 N 0.24 0.10 -0.43 0.00 2.07 -0.16 -1.67 116.25 116.41 1ci1 h VAL 143 Ca 0.11 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1ci1 h VAL 143 Cb 0.05 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1ci1 h VAL 143 CO -0.09 0.00 0.08 -0.37 0.02 0.00 0.00 177.57 177.22 1ci1 h VAL 144 N -1.20 1.20 -0.19 2.57 -1.51 -1.37 -1.45 116.25 114.30 1ci1 h VAL 144 Ca -0.12 -0.73 -0.14 0.00 -1.23 0.00 0.00 66.70 64.48 1ci1 h VAL 144 Cb 0.93 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 1ci1 h VAL 144 CO 0.18 0.26 -0.49 -0.07 -1.23 0.00 0.00 177.57 176.22 1ci1 h LEU 145 N 0.62 0.56 -0.66 4.19 3.38 -1.44 -0.99 115.31 120.97 1ci1 h LEU 145 Ca 0.14 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1ci1 h LEU 145 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ci1 h LEU 145 CO 0.00 0.95 -0.33 0.74 0.09 0.00 0.00 178.44 179.90 1ci1 h THR 146 N 0.41 1.28 -0.36 0.22 2.02 -0.93 0.20 112.91 115.74 1ci1 h THR 146 Ca 0.02 -1.46 -0.09 0.00 0.77 0.00 0.00 66.41 65.65 1ci1 h THR 146 Cb 1.00 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1ci1 h THR 146 CO 0.09 0.47 -0.11 1.56 0.37 0.00 0.00 175.52 177.90 1ci1 h GLN 147 N 0.57 0.71 -0.21 6.66 4.20 -1.05 -2.62 115.11 123.37 1ci1 h GLN 147 Ca 0.06 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 1ci1 h GLN 147 Cb 0.84 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 1ci1 h GLN 147 CO 0.07 0.88 -0.29 1.25 -0.67 0.00 0.00 178.83 180.07 1ci1 h LEU 148 N 0.50 0.62 -0.91 1.46 5.85 -1.06 -3.24 115.31 118.54 1ci1 h LEU 148 Ca 0.09 -0.51 0.09 0.00 0.84 0.00 0.00 57.88 58.39 1ci1 h LEU 148 Cb 0.63 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1ci1 h LEU 148 CO 0.04 1.01 0.56 0.00 -0.34 0.00 0.00 178.44 179.71 1ci1 h ALA 149 N 0.63 1.31 -0.60 1.25 0.00 -0.59 -0.54 119.26 120.71 1ci1 h ALA 149 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ci1 h ALA 149 Cb 0.86 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1ci1 h ALA 149 CO 0.07 0.23 0.36 0.00 0.00 0.00 0.00 179.25 179.91 1ci1 h ALA 150 N 1.47 1.51 -0.04 0.00 0.00 -1.49 -1.53 119.26 119.17 1ci1 h ALA 150 Ca 0.43 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1ci1 h ALA 150 Cb 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ci1 h ALA 150 CO -0.22 0.43 -0.23 0.28 0.00 0.00 0.00 179.25 179.50 1ci1 h VAL 151 N 0.82 1.46 -0.27 0.00 2.07 -1.22 -3.30 116.25 115.82 1ci1 h VAL 151 Ca 0.22 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1ci1 h VAL 151 Cb -0.04 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1ci1 h VAL 151 CO -0.04 0.48 0.04 0.00 0.02 0.00 0.00 177.57 178.07 1ci1 h ALA 152 N 0.39 1.58 -0.15 1.67 0.00 -0.97 -2.73 119.26 119.06 1ci1 h ALA 152 Ca -0.02 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1ci1 h ALA 152 Cb 0.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ci1 h ALA 152 CO 0.05 0.31 0.15 1.96 0.00 0.00 0.00 179.25 181.72 1ci1 h GLN 153 N 0.38 0.00 -0.03 0.00 1.08 -1.35 -1.70 115.11 113.49 1ci1 h GLN 153 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1ci1 h GLN 153 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1ci1 h GLN 153 CO -0.00 0.00 -0.01 1.63 -0.95 0.00 0.00 178.83 179.50 1ci1 n LYS 154 N -3.93 2.10 -4.06 1.46 5.02 -1.03 -4.98 118.16 112.73 1ci1 n LYS 154 Ca 0.01 -1.81 -0.32 0.00 -2.02 0.00 0.00 58.31 54.17 1ci1 n LYS 154 Cb 0.27 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 1ci1 n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ci1 s LEU 155 N -1.89 3.88 0.56 -0.35 1.43 -0.64 -4.90 118.68 116.78 1ci1 s LEU 155 Ca 0.26 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1ci1 s LEU 155 Cb 0.19 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1ci1 s LEU 155 CO 0.29 0.22 0.83 -0.94 0.23 0.00 0.00 176.35 176.97 1ci1 s SER 156 N -2.11 5.45 0.25 2.29 1.04 -1.26 -4.99 113.70 114.37 1ci1 s SER 156 Ca 0.27 0.38 -0.05 0.00 0.48 0.00 0.00 55.95 57.03 1ci1 s SER 156 Cb -0.12 -1.36 0.31 0.00 0.10 0.00 0.00 66.02 64.94 1ci1 s SER 156 CO 0.19 -1.07 1.89 0.50 0.98 0.00 0.00 173.24 175.73 1ci1 h LYS 157 N -0.03 1.16 0.00 4.02 3.64 -1.99 -2.68 116.57 120.69 1ci1 h LYS 157 Ca -0.45 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 58.81 1ci1 h LYS 157 Cb 1.27 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1ci1 h LYS 157 CO 0.58 0.77 -0.24 0.93 -2.27 0.00 0.00 179.45 179.22 1ci1 h GLU 158 N 1.20 0.00 0.00 1.90 4.39 -2.03 -2.94 114.58 117.09 1ci1 h GLU 158 Ca 0.38 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.02 1ci1 h GLU 158 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1ci1 h GLU 158 CO -0.12 0.24 -0.29 0.00 -1.16 0.00 0.00 179.01 177.67 1ci1 h ALA 159 N 1.76 1.45 -0.00 3.43 0.00 -1.86 -2.97 119.26 121.07 1ci1 h ALA 159 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ci1 h ALA 159 Cb 0.58 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ci1 h ALA 159 CO 0.03 0.36 0.08 -1.49 0.00 0.00 0.00 179.25 178.23 1ci1 h TRP 160 N 0.00 0.00 0.00 0.00 4.06 -1.61 0.15 115.95 118.55 1ci1 h TRP 160 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ci1 h TRP 160 Cb 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.70 1ci1 h TRP 160 CO 0.00 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.54 1ci1 h SER 161 N 0.00 0.00 -0.31 -3.49 4.64 -1.73 -2.51 113.55 110.15 1ci1 h SER 161 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ci1 h SER 161 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1ci1 h SER 161 CO -0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1ci1 n ARG 162 N -2.53 2.33 -3.96 4.77 1.74 0.03 -4.98 116.66 114.07 1ci1 n ARG 162 Ca 0.02 -1.93 -0.36 0.00 -0.77 0.00 0.00 57.85 54.81 1ci1 n ARG 162 Cb 0.28 -1.30 -0.08 0.00 -1.02 0.00 0.00 32.46 30.34 1ci1 n ARG 162 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ci1 s VAL 163 N -1.03 5.15 -0.03 1.55 1.01 -0.95 -0.09 120.40 126.02 1ci1 s VAL 163 Ca 0.24 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1ci1 s VAL 163 Cb 0.13 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1ci1 s VAL 163 CO 0.18 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 175.03 1ci1 s VAL 164 N -0.48 0.95 -0.14 2.92 1.01 0.17 -4.58 120.40 120.25 1ci1 s VAL 164 Ca 0.11 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1ci1 s VAL 164 Cb -0.12 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1ci1 s VAL 164 CO 0.02 0.29 0.11 -0.63 0.00 0.00 0.00 175.10 174.89 1ci1 s ILE 165 N 0.14 5.24 -0.21 2.22 -1.09 -0.45 -0.57 121.20 126.48 1ci1 s ILE 165 Ca -0.03 0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.51 1ci1 s ILE 165 Cb -0.09 -3.30 0.04 0.00 -1.58 0.00 0.00 42.46 37.53 1ci1 s ILE 165 CO 0.01 0.57 -0.11 0.00 -1.23 0.00 0.00 174.94 174.17 1ci1 s ALA 166 N -0.60 2.12 -0.40 9.38 0.00 0.61 0.12 121.76 132.99 1ci1 s ALA 166 Ca 0.12 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1ci1 s ALA 166 Cb -0.12 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.70 1ci1 s ALA 166 CO 0.02 -0.82 0.40 -0.47 0.00 0.00 0.00 175.76 174.88 1ci1 s TYR 167 N 1.34 3.19 -0.32 0.00 5.04 0.87 -1.63 117.35 125.84 1ci1 s TYR 167 Ca -0.02 -0.31 0.01 0.00 -2.44 0.00 0.00 57.07 54.30 1ci1 s TYR 167 Cb -0.16 -2.79 0.10 0.00 0.35 0.00 0.00 41.96 39.46 1ci1 s TYR 167 CO -0.08 -0.61 0.09 -1.83 -1.34 0.00 0.00 175.55 171.77 1ci1 s GLU 168 N 2.04 0.92 0.03 4.97 -1.05 -0.74 -1.78 118.70 123.09 1ci1 s GLU 168 Ca 0.11 -1.31 -0.30 0.00 -0.15 0.00 0.00 54.97 53.32 1ci1 s GLU 168 Cb -0.17 -2.31 -0.08 0.00 -0.44 0.00 0.00 34.13 31.13 1ci1 s GLU 168 CO 0.13 -0.98 1.80 -1.25 0.95 0.00 0.00 175.26 175.90 1ci1 s PRO 169 N 1.40 4.16 0.33 -4.83 0.04 -1.26 -4.44 135.00 130.41 1ci1 s PRO 169 Ca 0.10 2.44 0.10 0.00 0.04 0.00 0.00 61.00 63.68 1ci1 s PRO 169 Cb -0.18 -3.92 0.86 0.00 0.04 0.00 0.00 34.50 31.30 1ci1 s PRO 169 CO -0.20 -0.86 1.77 0.28 0.04 0.00 0.00 177.00 178.03 1ci1 h VAL 170 N 5.32 0.64 0.00 -0.36 2.07 -1.73 0.22 116.25 122.41 1ci1 h VAL 170 Ca -0.45 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1ci1 h VAL 170 Cb 1.21 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1ci1 h VAL 170 CO 0.94 0.12 0.00 -2.67 0.02 0.00 0.00 177.57 175.98 1ci1 n TRP 171 N -4.74 0.00 -0.08 1.57 4.27 -1.26 -1.80 117.44 115.40 1ci1 n TRP 171 Ca 0.24 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.87 1ci1 n TRP 171 Cb 0.67 -0.13 0.03 0.00 -1.36 0.00 0.00 31.31 30.53 1ci1 n TRP 171 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ci1 n ALA 172 N -1.13 2.05 -2.65 -1.67 0.00 0.76 -4.66 120.51 113.21 1ci1 n ALA 172 Ca 0.06 -1.10 -0.39 0.00 0.00 0.00 0.00 53.44 52.01 1ci1 n ALA 172 Cb 0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 1ci1 n ALA 172 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ci1 s ILE 173 N -1.09 5.17 -1.59 0.00 1.01 -0.74 -2.36 121.20 121.60 1ci1 s ILE 173 Ca 0.06 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1ci1 s ILE 173 Cb 0.04 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1ci1 s ILE 173 CO 0.03 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1ci1 n GLY 174 N 4.12 1.12 0.00 6.18 0.00 -1.26 -4.77 105.19 110.58 1ci1 n GLY 174 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1ci1 n GLY 174 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ci1 n THR 175 N -2.31 0.00 -0.97 2.61 -2.24 -1.26 -4.99 114.28 105.12 1ci1 n THR 175 Ca -0.16 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1ci1 n THR 175 Cb 0.53 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1ci1 n THR 175 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ci1 n GLY 176 N 1.49 0.50 3.02 3.38 0.00 -1.26 -4.94 105.19 107.38 1ci1 n GLY 176 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ci1 n GLY 176 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ci1 n LYS 177 N -2.08 3.93 -1.95 1.61 0.00 -1.26 -5.02 118.16 113.38 1ci1 n LYS 177 Ca 0.00 -4.54 -0.36 0.00 0.00 0.00 0.00 58.31 53.41 1ci1 n LYS 177 Cb 0.08 -2.48 0.04 0.00 0.00 0.00 0.00 35.03 32.67 1ci1 n LYS 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ci1 s VAL 178 N -2.33 2.59 0.38 3.15 0.11 -1.26 -4.33 120.40 118.71 1ci1 s VAL 178 Ca 0.32 0.36 -0.25 0.00 -2.93 0.00 0.00 61.98 59.47 1ci1 s VAL 178 Cb 0.02 -3.12 -0.09 0.00 -1.53 0.00 0.00 36.38 31.66 1ci1 s VAL 178 CO 0.04 -0.09 1.09 0.00 -3.33 0.00 0.00 175.10 172.81 1ci1 s ALA 179 N -1.63 3.15 0.60 1.54 0.00 -1.26 -4.99 121.76 119.17 1ci1 s ALA 179 Ca 0.77 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 53.37 1ci1 s ALA 179 Cb -0.30 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1ci1 s ALA 179 CO 0.34 -0.31 1.16 0.95 0.00 0.00 0.00 175.76 177.90 1ci1 s THR 180 N -1.51 2.94 0.29 0.00 -4.23 -1.26 -4.75 115.64 107.13 1ci1 s THR 180 Ca 0.56 0.54 0.04 0.00 -1.18 0.00 0.00 61.69 61.65 1ci1 s THR 180 Cb -0.26 -3.16 0.29 0.00 1.34 0.00 0.00 72.50 70.71 1ci1 s THR 180 CO 0.33 -0.17 1.70 -0.65 -0.54 0.00 0.00 174.62 175.29 1ci1 h PRO 181 N 0.71 0.41 -0.14 3.99 0.11 -1.94 0.36 132.00 135.49 1ci1 h PRO 181 Ca -0.49 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1ci1 h PRO 181 Cb 1.27 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1ci1 h PRO 181 CO 0.55 0.27 -0.15 -0.56 -0.21 0.00 0.00 178.00 177.90 1ci1 h GLN 182 N 0.42 0.23 -0.26 1.05 -0.00 -1.97 -0.08 115.11 114.50 1ci1 h GLN 182 Ca 0.56 -0.06 -0.18 0.00 -0.00 0.00 0.00 58.65 58.98 1ci1 h GLN 182 Cb 1.05 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 28.50 1ci1 h GLN 182 CO -0.52 0.39 -0.54 1.96 -0.00 0.00 0.00 178.83 180.12 1ci1 h GLN 183 N 0.22 0.78 -0.02 0.06 4.20 -0.67 -2.32 115.11 117.35 1ci1 h GLN 183 Ca 0.04 -0.49 -0.01 0.00 0.06 0.00 0.00 58.65 58.25 1ci1 h GLN 183 Cb 0.40 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1ci1 h GLN 183 CO 0.02 1.12 -0.02 0.00 -0.67 0.00 0.00 178.83 179.28 1ci1 h ALA 184 N 0.78 0.03 -0.46 3.87 0.00 -0.88 -3.16 119.26 119.45 1ci1 h ALA 184 Ca 0.01 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1ci1 h ALA 184 Cb 1.13 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1ci1 h ALA 184 CO 0.12 -0.21 -0.20 0.37 0.00 0.00 0.00 179.25 179.32 1ci1 h GLN 185 N -0.40 -0.10 -0.36 0.00 5.75 -1.04 -1.42 115.11 117.54 1ci1 h GLN 185 Ca 0.00 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 1ci1 h GLN 185 Cb 0.49 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.98 1ci1 h GLN 185 CO 0.00 -0.07 -0.21 1.49 -2.65 0.00 0.00 178.83 177.40 1ci1 h GLU 186 N -0.10 -0.15 -0.40 1.69 4.81 -1.44 0.24 114.58 119.22 1ci1 h GLU 186 Ca 0.22 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1ci1 h GLU 186 Cb 0.44 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1ci1 h GLU 186 CO -0.53 -0.10 -0.12 0.28 -0.73 0.00 0.00 179.01 177.82 1ci1 h VAL 187 N -0.15 1.28 -0.82 0.32 2.07 -1.42 -1.72 116.25 115.80 1ci1 h VAL 187 Ca 0.18 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1ci1 h VAL 187 Cb 0.43 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1ci1 h VAL 187 CO -0.45 0.41 0.53 0.45 0.02 0.00 0.00 177.57 178.53 1ci1 h HIS 188 N 0.60 1.04 -0.24 1.57 3.86 -0.88 -0.32 115.15 120.79 1ci1 h HIS 188 Ca 0.10 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 1ci1 h HIS 188 Cb 0.65 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1ci1 h HIS 188 CO 0.05 0.66 0.07 1.49 0.86 0.00 0.00 177.93 181.06 1ci1 h GLU 189 N 1.11 0.16 -0.71 2.45 4.81 -0.37 -1.50 114.58 120.52 1ci1 h GLU 189 Ca 0.30 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1ci1 h GLU 189 Cb -0.11 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 1ci1 h GLU 189 CO -0.06 0.11 0.44 1.25 -0.73 0.00 0.00 179.01 180.02 1ci1 h LEU 190 N 0.17 0.71 -0.38 1.64 5.85 -0.50 -2.06 115.31 120.74 1ci1 h LEU 190 Ca 0.11 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1ci1 h LEU 190 Cb 0.09 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1ci1 h LEU 190 CO -0.13 0.49 0.13 -0.07 -0.34 0.00 0.00 178.44 178.52 1ci1 h LEU 191 N 0.85 0.54 -0.70 2.25 4.07 -0.62 -2.57 115.31 119.13 1ci1 h LEU 191 Ca 0.29 -0.19 -0.13 0.00 0.08 0.00 0.00 57.88 57.93 1ci1 h LEU 191 Cb 0.05 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1ci1 h LEU 191 CO -0.12 0.59 -0.40 -0.09 -1.08 0.00 0.00 178.44 177.34 1ci1 h ARG 192 N 0.46 0.54 -0.57 1.13 2.43 -1.12 -2.76 114.38 114.48 1ci1 h ARG 192 Ca 0.12 -0.27 -0.11 0.00 -0.81 0.00 0.00 59.98 58.91 1ci1 h ARG 192 Cb 0.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1ci1 h ARG 192 CO -0.01 0.85 -0.07 0.00 -1.51 0.00 0.00 179.97 179.23 1ci1 h ARG 193 N 0.45 1.05 -0.81 0.20 3.08 -1.32 0.13 114.38 117.16 1ci1 h ARG 193 Ca 0.04 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 1ci1 h ARG 193 Cb 0.89 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 1ci1 h ARG 193 CO 0.08 1.07 0.35 2.35 -1.07 0.00 0.00 179.97 182.74 1ci1 h TRP 194 N 0.94 1.21 -0.33 3.04 7.01 -1.39 -0.22 115.95 126.21 1ci1 h TRP 194 Ca 0.15 -0.08 -0.13 0.00 2.11 0.00 0.00 58.89 60.94 1ci1 h TRP 194 Cb 0.64 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 1ci1 h TRP 194 CO 0.04 0.90 -0.34 0.28 -2.79 0.00 0.00 178.44 176.53 1ci1 h VAL 195 N 1.16 1.28 0.15 2.65 2.07 -1.22 -1.94 116.25 120.41 1ci1 h VAL 195 Ca 0.27 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1ci1 h VAL 195 Cb 0.18 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1ci1 h VAL 195 CO -0.03 0.49 -0.07 -0.09 0.02 0.00 0.00 177.57 177.89 1ci1 h ARG 196 N 0.62 -0.20 0.00 1.57 2.43 -0.29 0.46 114.38 118.97 1ci1 h ARG 196 Ca 0.06 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1ci1 h ARG 196 Cb 0.87 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1ci1 h ARG 196 CO 0.08 0.10 -0.01 0.66 -1.51 0.00 0.00 179.97 179.29 1ci1 h SER 197 N -0.50 0.00 0.07 -3.80 4.64 -1.03 0.53 113.55 113.46 1ci1 h SER 197 Ca -0.02 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.93 1ci1 h SER 197 Cb 0.39 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.42 1ci1 h SER 197 CO 0.03 0.01 -2.29 0.29 -0.87 0.00 0.00 176.83 174.00 1ci1 n LYS 198 N -3.76 0.68 0.00 4.77 4.01 -0.73 -4.71 118.16 118.42 1ci1 n LYS 198 Ca -0.03 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1ci1 n LYS 198 Cb 0.09 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 33.03 1ci1 n LYS 198 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ci1 n LEU 199 N -3.12 0.58 0.00 -0.35 4.77 0.16 -5.07 117.00 113.97 1ci1 n LEU 199 Ca -0.37 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 1ci1 n LEU 199 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1ci1 n LEU 199 CO 0.36 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1ci1 n GLY 200 N 0.32 1.31 0.13 -0.72 0.00 0.17 -4.65 105.19 101.75 1ci1 n GLY 200 Ca 0.00 -2.17 -0.19 0.00 0.00 0.00 0.00 46.02 43.65 1ci1 n GLY 200 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ci1 h THR 201 N 0.00 1.47 -0.05 2.61 2.02 -1.91 -3.09 112.91 113.96 1ci1 h THR 201 Ca 0.00 -2.39 0.04 0.00 0.77 0.00 0.00 66.41 64.83 1ci1 h THR 201 Cb 0.00 2.98 -0.06 0.00 -1.74 0.00 0.00 68.15 69.33 1ci1 h THR 201 CO 0.00 0.69 -0.40 -2.24 0.37 0.00 0.00 175.52 173.94 1ci1 h ASP 202 N -0.23 -1.22 -0.14 4.18 3.04 -1.97 0.29 116.42 120.37 1ci1 h ASP 202 Ca -0.13 0.16 -0.01 0.00 -3.24 0.00 0.00 57.03 53.81 1ci1 h ASP 202 Cb 1.57 0.49 -0.01 0.00 -1.04 0.00 0.00 39.33 40.34 1ci1 h ASP 202 CO 0.15 -0.43 0.06 0.40 -2.04 0.00 0.00 179.24 177.38 1ci1 h ILE 203 N -0.52 1.14 -0.19 4.15 2.04 -1.83 -2.01 117.51 120.29 1ci1 h ILE 203 Ca 0.06 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1ci1 h ILE 203 Cb 0.63 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1ci1 h ILE 203 CO -0.34 0.13 0.05 0.00 0.00 0.00 0.00 178.15 177.99 1ci1 h ALA 204 N 0.91 1.73 -0.16 1.87 0.00 -1.41 -0.59 119.26 121.61 1ci1 h ALA 204 Ca 0.05 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1ci1 h ALA 204 Cb 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ci1 h ALA 204 CO -0.00 0.21 -0.66 0.00 0.00 0.00 0.00 179.25 178.80 1ci1 h ALA 205 N 1.79 0.54 0.00 0.00 0.00 -0.13 -3.20 119.26 118.26 1ci1 h ALA 205 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ci1 h ALA 205 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ci1 h ALA 205 CO -0.00 0.71 -0.41 1.96 0.00 0.00 0.00 179.25 181.50 1ci1 h GLN 206 N 0.44 0.00 -6.72 0.00 1.08 -0.90 -3.41 115.11 105.60 1ci1 h GLN 206 Ca -0.02 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.66 1ci1 h GLN 206 Cb 1.24 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 28.74 1ci1 h GLN 206 CO 0.13 0.00 0.91 -1.17 -0.95 0.00 0.00 178.83 177.74 1ci1 s LEU 207 N -5.17 4.36 -0.25 1.46 2.96 -0.27 -4.84 118.68 116.93 1ci1 s LEU 207 Ca 0.06 2.84 -0.13 0.00 -0.22 0.00 0.00 54.13 56.67 1ci1 s LEU 207 Cb 0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1ci1 s LEU 207 CO 0.70 -0.89 0.30 -0.13 -1.32 0.00 0.00 176.35 175.01 1ci1 s ARG 208 N 0.29 4.06 -0.27 1.98 3.00 -1.26 -4.91 118.95 121.84 1ci1 s ARG 208 Ca 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 55.73 56.34 1ci1 s ARG 208 Cb -0.47 -3.60 0.04 0.00 0.00 0.00 0.00 34.95 30.92 1ci1 s ARG 208 CO 0.40 -0.12 -0.04 0.42 0.00 0.00 0.00 175.30 175.96 1ci1 s ILE 209 N 1.57 2.86 0.20 1.52 -1.09 -1.26 -1.34 121.20 123.66 1ci1 s ILE 209 Ca 0.13 -1.22 -0.02 0.00 -2.23 0.00 0.00 60.65 57.31 1ci1 s ILE 209 Cb -0.15 -2.55 -0.05 0.00 -1.58 0.00 0.00 42.46 38.13 1ci1 s ILE 209 CO 0.08 0.05 0.41 -0.76 -1.23 0.00 0.00 174.94 173.49 1ci1 s LEU 210 N 1.28 4.21 0.04 2.97 1.43 0.32 -0.94 118.68 127.98 1ci1 s LEU 210 Ca -0.03 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 1ci1 s LEU 210 Cb -0.18 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1ci1 s LEU 210 CO -0.03 -0.04 -0.03 -0.47 0.23 0.00 0.00 176.35 176.00 1ci1 s TYR 211 N -1.86 2.96 0.05 0.29 5.04 -0.66 -0.09 117.35 123.08 1ci1 s TYR 211 Ca 0.39 -0.01 -0.09 0.00 -2.44 0.00 0.00 57.07 54.92 1ci1 s TYR 211 Cb -0.11 -1.59 0.00 0.00 0.35 0.00 0.00 41.96 40.61 1ci1 s TYR 211 CO 0.28 0.44 0.20 0.20 -1.34 0.00 0.00 175.55 175.32 1ci1 s GLY 212 N -1.79 0.04 0.00 8.97 0.00 -0.73 -0.58 107.32 113.23 1ci1 s GLY 212 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1ci1 s GLY 212 CO 0.12 -0.49 0.00 0.61 0.00 0.00 0.00 173.10 173.34 1ci1 n GLY 213 N 0.60 1.53 2.62 0.20 0.00 -1.26 -4.18 105.19 104.70 1ci1 n GLY 213 Ca -0.18 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 1ci1 n GLY 213 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ci1 n SER 214 N 0.00 -5.26 -4.75 1.61 7.64 -1.00 -4.24 113.62 107.63 1ci1 n SER 214 Ca 0.00 -0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.31 1ci1 n SER 214 Cb 0.00 -4.19 -0.04 0.00 -1.01 0.00 0.00 64.21 58.97 1ci1 n SER 214 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ci1 s VAL 215 N -2.99 3.58 0.17 0.44 1.01 -1.26 -4.62 120.40 116.72 1ci1 s VAL 215 Ca 0.16 1.42 -0.06 0.00 0.00 0.00 0.00 61.98 63.50 1ci1 s VAL 215 Cb -0.07 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1ci1 s VAL 215 CO 0.20 0.27 0.22 0.42 0.00 0.00 0.00 175.10 176.21 1ci1 s THR 216 N -0.50 0.06 0.62 3.92 -4.23 -1.26 -4.59 115.64 109.67 1ci1 s THR 216 Ca 0.49 -1.61 0.38 0.00 -1.18 0.00 0.00 61.69 59.78 1ci1 s THR 216 Cb -0.32 -2.01 0.41 0.00 1.34 0.00 0.00 72.50 71.92 1ci1 s THR 216 CO 0.38 -0.28 2.31 0.00 -0.54 0.00 0.00 174.62 176.50 1ci1 h ALA 217 N 2.61 1.21 0.00 3.99 0.00 -1.94 -0.02 119.26 125.11 1ci1 h ALA 217 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ci1 h ALA 217 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ci1 h ALA 217 CO 0.51 0.01 -0.02 1.63 0.00 0.00 0.00 179.25 181.37 1ci1 n LYS 218 N -3.39 0.26 0.00 0.00 4.01 -1.26 -4.11 118.16 113.67 1ci1 n LYS 218 Ca -0.03 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 57.98 1ci1 n LYS 218 Cb 0.09 -1.79 0.00 0.00 -0.51 0.00 0.00 35.03 32.81 1ci1 n LYS 218 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1ci1 n ASN 219 N -2.24 0.35 0.09 4.39 0.23 -0.53 -4.85 115.26 112.71 1ci1 n ASN 219 Ca 0.06 -0.84 -0.13 0.00 -0.53 0.00 0.00 54.58 53.14 1ci1 n ASN 219 Cb 0.43 0.09 -0.08 0.00 -2.08 0.00 0.00 39.78 38.14 1ci1 n ASN 219 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ci1 h ALA 220 N 0.00 -0.19 -0.41 -2.53 0.00 -1.20 -2.47 119.26 112.45 1ci1 h ALA 220 Ca 0.00 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.86 1ci1 h ALA 220 Cb 0.22 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 1ci1 h ALA 220 CO 0.00 -0.50 -0.25 -0.09 0.00 0.00 0.00 179.25 178.41 1ci1 h ARG 221 N -0.41 -0.17 -0.86 0.00 1.12 -1.82 0.03 114.38 112.26 1ci1 h ARG 221 Ca -0.02 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ci1 h ARG 221 Cb 0.33 0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.28 1ci1 h ARG 221 CO 0.03 -0.11 0.55 1.79 -3.11 0.00 0.00 179.97 179.12 1ci1 h THR 222 N -0.18 1.23 -0.36 0.20 1.35 -1.89 -2.64 112.91 110.63 1ci1 h THR 222 Ca 0.19 -0.45 -0.09 0.00 -0.55 0.00 0.00 66.41 65.52 1ci1 h THR 222 Cb 0.48 -0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 66.86 1ci1 h THR 222 CO -0.52 0.23 -0.15 -0.07 -0.25 0.00 0.00 175.52 174.76 1ci1 h LEU 223 N 1.18 0.64 -0.68 3.87 3.38 -0.81 -2.44 115.31 120.45 1ci1 h LEU 223 Ca 0.31 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ci1 h LEU 223 Cb -0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1ci1 h LEU 223 CO -0.06 0.81 0.00 0.22 0.09 0.00 0.00 178.44 179.49 1ci1 h TYR 224 N 0.59 0.00 -0.21 1.13 3.20 -0.71 -3.06 116.97 117.91 1ci1 h TYR 224 Ca 0.10 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1ci1 h TYR 224 Cb 0.59 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1ci1 h TYR 224 CO 0.03 0.00 0.07 1.96 -1.64 0.00 0.00 178.16 178.58 1ci1 h GLN 225 N 0.00 0.30 -7.00 1.82 4.20 -1.09 -3.44 115.11 109.90 1ci1 h GLN 225 Ca 0.00 -0.03 -0.54 0.00 0.06 0.00 0.00 58.65 58.14 1ci1 h GLN 225 Cb 0.53 -0.06 0.11 0.00 0.30 0.00 0.00 27.48 28.37 1ci1 h GLN 225 CO 0.00 0.26 0.63 -1.64 -0.67 0.00 0.00 178.83 177.41 1ci1 s MET 226 N -5.15 3.58 0.54 1.46 -1.94 -1.16 -4.94 119.30 111.69 1ci1 s MET 226 Ca -0.06 2.23 0.33 0.00 -1.71 0.00 0.00 55.69 56.47 1ci1 s MET 226 Cb 0.17 -2.52 1.32 0.00 2.01 0.00 0.00 34.83 35.80 1ci1 s MET 226 CO 0.71 -0.84 1.97 0.07 -0.01 0.00 0.00 175.02 176.92 1ci1 h ARG 227 N 2.09 0.00 -0.16 2.03 0.11 -1.91 -3.22 114.38 113.32 1ci1 h ARG 227 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1ci1 h ARG 227 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1ci1 h ARG 227 CO 0.60 0.02 0.00 -0.25 0.10 0.00 0.00 179.97 180.44 1ci1 n ASP 228 N -3.12 2.52 -4.61 0.08 8.00 -1.26 -4.91 116.55 113.25 1ci1 n ASP 228 Ca 0.01 -1.73 -0.39 0.00 0.71 0.00 0.00 54.79 53.38 1ci1 n ASP 228 Cb 0.32 -0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.23 1ci1 n ASP 228 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ci1 s ILE 229 N -1.11 5.15 -0.31 0.53 1.01 -1.22 -4.59 121.20 120.66 1ci1 s ILE 229 Ca 0.21 0.64 0.09 0.00 0.00 0.00 0.00 60.65 61.58 1ci1 s ILE 229 Cb 0.13 -3.73 0.56 0.00 0.01 0.00 0.00 42.46 39.43 1ci1 s ILE 229 CO 0.18 0.13 1.57 0.59 0.00 0.00 0.00 174.94 177.42 1ci1 n ASN 230 N 5.39 3.06 0.00 3.58 4.13 -0.12 -4.88 115.26 126.42 1ci1 n ASN 230 Ca -0.07 -3.61 0.00 0.00 1.68 0.00 0.00 54.58 52.57 1ci1 n ASN 230 Cb 0.50 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 1ci1 n ASN 230 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ci1 n GLY 231 N -0.99 0.82 3.12 7.41 0.00 -1.26 -2.00 105.19 112.29 1ci1 n GLY 231 Ca 0.38 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 1ci1 n GLY 231 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ci1 s PHE 232 N -1.88 0.22 -0.30 1.61 0.08 -0.82 -1.65 117.98 115.24 1ci1 s PHE 232 Ca 0.00 -0.55 -0.01 0.00 0.12 0.00 0.00 56.93 56.50 1ci1 s PHE 232 Cb 0.00 -0.15 0.06 0.00 -0.57 0.00 0.00 43.02 42.35 1ci1 s PHE 232 CO 0.00 -0.37 -0.01 -1.17 -0.10 0.00 0.00 175.22 173.57 1ci1 s LEU 233 N -2.21 3.95 -0.14 -0.37 2.96 0.25 -1.08 118.68 122.05 1ci1 s LEU 233 Ca -0.04 -1.41 -0.04 0.00 -0.22 0.00 0.00 54.13 52.42 1ci1 s LEU 233 Cb -0.00 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1ci1 s LEU 233 CO -0.05 -0.27 0.01 -0.69 -1.32 0.00 0.00 176.35 174.02 1ci1 s VAL 234 N 1.19 4.34 0.00 1.68 1.01 0.67 -4.15 120.40 125.15 1ci1 s VAL 234 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1ci1 s VAL 234 Cb -0.20 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1ci1 s VAL 234 CO -0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1ci1 n GLY 235 N 3.11 -0.05 0.40 4.51 0.00 -1.26 0.32 105.19 112.23 1ci1 n GLY 235 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1ci1 n GLY 235 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ci1 h GLY 236 N 0.00 -0.39 1.77 -0.02 0.00 -1.93 0.19 103.07 102.69 1ci1 h GLY 236 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1ci1 h GLY 236 CO 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 176.54 176.46 1ci1 n ALA 237 N -3.35 1.64 0.64 3.60 0.00 -1.26 -2.56 120.51 119.22 1ci1 n ALA 237 Ca 0.06 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1ci1 n ALA 237 Cb 0.33 -1.19 0.44 0.00 0.00 0.00 0.00 19.45 19.03 1ci1 n ALA 237 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ci1 n SER 238 N -1.38 0.68 -1.22 0.00 3.41 0.68 -2.94 113.62 112.85 1ci1 n SER 238 Ca 0.04 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 1ci1 n SER 238 Cb 0.12 -0.76 0.26 0.00 -0.26 0.00 0.00 64.21 63.57 1ci1 n SER 238 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ci1 n LEU 239 N -2.15 3.56 -4.22 1.04 4.77 -1.06 -4.82 117.00 114.12 1ci1 n LEU 239 Ca 0.05 -1.80 -0.17 0.00 -0.03 0.00 0.00 56.01 54.07 1ci1 n LEU 239 Cb 0.39 -0.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 1ci1 n LEU 239 CO 0.28 0.63 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.99 1ci1 s LYS 240 N -1.73 0.95 0.00 3.23 1.02 -1.15 -5.00 119.74 117.06 1ci1 s LYS 240 Ca 0.37 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 55.18 1ci1 s LYS 240 Cb 0.24 -0.80 0.00 0.00 -0.52 0.00 0.00 37.83 36.75 1ci1 s LYS 240 CO 0.18 0.15 0.79 -2.30 -0.92 0.00 0.00 175.35 173.26 1ci1 n PRO 241 N 0.64 0.00 0.24 -1.68 -0.02 -1.26 -0.84 135.00 132.08 1ci1 n PRO 241 Ca -0.16 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 61.71 1ci1 n PRO 241 Cb 0.57 -1.59 0.59 0.00 -0.02 0.00 0.00 33.50 33.04 1ci1 n PRO 241 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ci1 h GLU 242 N 0.00 0.00 -0.78 -0.52 4.81 -1.95 -2.71 114.58 113.43 1ci1 h GLU 242 Ca 0.00 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 1ci1 h GLU 242 Cb 0.19 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1ci1 h GLU 242 CO 0.00 0.18 0.53 0.35 -0.73 0.00 0.00 179.01 179.34 1ci1 h PHE 243 N 0.00 0.40 -0.35 0.92 3.57 -1.01 -1.17 116.94 119.30 1ci1 h PHE 243 Ca -0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1ci1 h PHE 243 Cb 0.38 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1ci1 h PHE 243 CO 0.00 0.14 0.20 0.28 -2.23 0.00 0.00 178.31 176.70 1ci1 h VAL 244 N 0.33 1.03 -0.60 1.41 2.07 -1.72 -1.74 116.25 117.03 1ci1 h VAL 244 Ca 0.39 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.74 1ci1 h VAL 244 Cb 1.03 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1ci1 h VAL 244 CO -0.11 0.08 0.26 -0.33 0.02 0.00 0.00 177.57 177.49 1ci1 h GLU 245 N 0.41 0.86 -0.15 1.57 3.07 -1.40 -1.90 114.58 117.05 1ci1 h GLU 245 Ca 0.14 -0.12 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 1ci1 h GLU 245 Cb 0.01 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 1ci1 h GLU 245 CO -0.07 0.69 -0.25 0.82 -1.40 0.00 0.00 179.01 178.79 1ci1 h ILE 246 N 0.85 1.24 -0.18 3.13 2.04 -1.17 -1.93 117.51 121.49 1ci1 h ILE 246 Ca 0.21 -1.13 -0.15 0.00 1.00 0.00 0.00 64.86 64.78 1ci1 h ILE 246 Cb 0.13 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1ci1 h ILE 246 CO -0.02 0.35 -0.53 0.40 0.00 0.00 0.00 178.15 178.35 1ci1 h ILE 247 N 0.24 1.32 0.00 -0.67 2.04 -0.70 -2.96 117.51 116.78 1ci1 h ILE 247 Ca 0.04 -1.77 -0.04 0.00 1.00 0.00 0.00 64.86 64.09 1ci1 h ILE 247 Cb 0.58 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1ci1 h ILE 247 CO 0.04 0.55 -0.20 -0.33 0.00 0.00 0.00 178.15 178.20 1ci1 h GLU 248 N 0.39 0.00 0.00 2.37 4.39 -0.61 -2.47 114.58 118.65 1ci1 h GLU 248 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ci1 h GLU 248 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1ci1 h GLU 248 CO 0.10 0.20 0.00 0.00 -1.16 0.00 0.00 179.01 178.15 1ci1 n ALA 249 N -2.43 2.26 -0.96 3.43 0.00 -0.91 -2.82 120.51 119.08 1ci1 n ALA 249 Ca -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 1ci1 n ALA 249 Cb 0.28 -1.34 0.34 0.00 0.00 0.00 0.00 19.45 18.73 1ci1 n ALA 249 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ci1 n THR 250 N -1.02 2.85 1.99 0.00 -2.24 -0.93 -4.63 114.28 110.30 1ci1 n THR 250 Ca 0.15 -1.52 0.16 0.00 -2.27 0.00 0.00 64.05 60.57 1ci1 n THR 250 Cb 0.08 -0.34 0.94 0.00 -2.10 0.00 0.00 70.33 68.91 1ci1 n THR 250 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79