#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b97 h LEU 3 N 0.00 0.17 -0.50 1.04 5.85 -1.99 -1.88 115.31 118.00 1b97 h LEU 3 Ca 0.00 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1b97 h LEU 3 Cb 0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1b97 h LEU 3 CO 0.00 0.23 0.30 -0.09 -0.34 0.00 0.00 178.44 178.54 1b97 h ARG 4 N 0.11 0.69 -0.30 1.25 2.43 -2.00 -0.64 114.38 115.92 1b97 h ARG 4 Ca 0.05 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 1b97 h ARG 4 Cb 0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1b97 h ARG 4 CO -0.01 0.51 -0.38 0.66 -1.51 0.00 0.00 179.97 179.24 1b97 h SER 5 N 0.67 0.74 -0.37 -3.80 4.64 -1.98 -2.00 113.55 111.45 1b97 h SER 5 Ca 0.18 -0.33 -0.13 0.00 -0.47 0.00 0.00 61.79 61.04 1b97 h SER 5 Cb 0.00 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1b97 h SER 5 CO -0.03 1.04 -0.24 0.44 -0.87 0.00 0.00 176.83 177.17 1b97 h ASP 6 N 0.58 0.91 -0.08 4.97 3.32 -1.23 -1.65 116.42 123.23 1b97 h ASP 6 Ca 0.05 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1b97 h ASP 6 Cb 0.91 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1b97 h ASP 6 CO 0.08 1.10 0.01 0.25 -1.72 0.00 0.00 179.24 178.97 1b97 h LEU 7 N 0.76 0.13 -0.81 1.55 5.85 -0.98 -1.37 115.31 120.43 1b97 h LEU 7 Ca 0.10 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.44 1b97 h LEU 7 Cb 0.79 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1b97 h LEU 7 CO 0.07 0.35 -0.39 -0.29 -0.34 0.00 0.00 178.44 177.84 1b97 h ILE 8 N -0.10 1.30 -0.29 4.05 6.09 -1.38 -1.06 117.51 126.12 1b97 h ILE 8 Ca 0.02 -1.53 0.02 0.00 -1.37 0.00 0.00 64.86 62.01 1b97 h ILE 8 Cb 0.28 1.60 -0.03 0.00 0.47 0.00 0.00 36.82 39.14 1b97 h ILE 8 CO 0.00 0.47 0.13 0.78 -3.07 0.00 0.00 178.15 176.46 1b97 h ASN 9 N 0.34 0.18 -0.59 2.19 4.21 -1.16 -1.13 115.58 119.62 1b97 h ASN 9 Ca 0.03 0.02 -0.08 0.00 1.21 0.00 0.00 56.30 57.48 1b97 h ASN 9 Cb 0.85 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 38.01 1b97 h ASN 9 CO 0.07 0.14 0.05 0.00 -1.29 0.00 0.00 177.43 176.39 1b97 h ALA 10 N 1.16 0.93 -0.21 -0.83 0.00 -0.98 -1.95 119.26 117.38 1b97 h ALA 10 Ca 0.12 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1b97 h ALA 10 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1b97 h ALA 10 CO -0.10 0.65 -0.02 -0.07 0.00 0.00 0.00 179.25 179.71 1b97 h LEU 11 N 0.95 0.39 -0.52 0.00 3.38 -1.04 -1.22 115.31 117.25 1b97 h LEU 11 Ca 0.18 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1b97 h LEU 11 Cb 0.49 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1b97 h LEU 11 CO 0.02 0.63 0.27 0.22 0.09 0.00 0.00 178.44 179.67 1b97 h TYR 12 N 0.14 0.50 -0.15 1.13 3.20 -1.15 -1.32 116.97 119.32 1b97 h TYR 12 Ca 0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1b97 h TYR 12 Cb 0.44 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1b97 h TYR 12 CO 0.04 0.25 0.01 0.22 -1.64 0.00 0.00 178.16 177.04 1b97 h ASP 13 N 0.53 0.25 -0.96 -2.11 3.58 -1.30 -2.32 116.42 114.09 1b97 h ASP 13 Ca 0.23 -0.29 0.02 0.00 0.42 0.00 0.00 57.03 57.40 1b97 h ASP 13 Cb 0.12 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.06 1b97 h ASP 13 CO -0.15 0.48 0.64 -0.08 -2.88 0.00 0.00 179.24 177.25 1b97 h GLU 14 N 0.01 1.25 -0.61 0.28 4.57 -1.05 -1.46 114.58 117.57 1b97 h GLU 14 Ca 0.04 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1b97 h GLU 14 Cb 0.35 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1b97 h GLU 14 CO 0.01 0.82 0.38 -0.97 -1.18 0.00 0.00 179.01 178.07 1b97 h ASN 15 N 1.28 0.72 -0.36 1.04 -1.24 -1.15 -1.89 115.58 113.99 1b97 h ASN 15 Ca 0.36 -0.05 -0.08 0.00 0.71 0.00 0.00 56.30 57.24 1b97 h ASN 15 Cb -0.11 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.73 1b97 h ASN 15 CO -0.09 0.56 -0.04 1.56 -1.29 0.00 0.00 177.43 178.13 1b97 h GLN 16 N 0.83 0.77 0.00 6.67 4.20 -0.76 -3.33 115.11 123.48 1b97 h GLN 16 Ca 0.22 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1b97 h GLN 16 Cb -0.04 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1b97 h GLN 16 CO -0.04 0.81 -1.53 1.63 -0.67 0.00 0.00 178.83 179.02 1b97 n LYS 17 N -4.20 0.63 -4.94 1.46 4.01 -0.63 -4.97 118.16 109.52 1b97 n LYS 17 Ca 0.02 0.05 -0.26 0.00 -0.51 0.00 0.00 58.31 57.60 1b97 n LYS 17 Cb 0.32 -1.71 -0.16 0.00 -0.51 0.00 0.00 35.03 32.98 1b97 n LYS 17 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1b97 s TYR 18 N -3.21 1.76 -0.25 2.13 2.02 -0.72 -5.10 117.35 113.98 1b97 s TYR 18 Ca -0.04 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1b97 s TYR 18 Cb 0.10 -1.14 0.06 0.00 -0.40 0.00 0.00 41.96 40.59 1b97 s TYR 18 CO 0.83 -0.05 -0.06 -0.51 -1.57 0.00 0.00 175.55 174.19 1b97 s ASP 19 N -0.39 4.08 0.31 2.29 1.01 -1.26 -4.72 116.67 117.99 1b97 s ASP 19 Ca 0.06 -1.31 -0.29 0.00 0.71 0.00 0.00 52.55 51.71 1b97 s ASP 19 Cb -0.08 -1.30 -0.11 0.00 1.01 0.00 0.00 42.92 42.44 1b97 s ASP 19 CO -0.00 -0.24 1.45 -0.69 0.21 0.00 0.00 175.17 175.90 1b97 s VAL 20 N 1.29 2.41 0.00 -1.27 1.01 -1.26 -4.93 120.40 117.65 1b97 s VAL 20 Ca -0.05 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1b97 s VAL 20 Cb -0.19 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1b97 s VAL 20 CO -0.07 0.07 0.22 0.00 0.00 0.00 0.00 175.10 175.33 1b97 n GLY 22 N -0.02 -0.77 3.82 0.00 0.00 -1.26 -3.91 105.19 103.04 1b97 n GLY 22 Ca 0.00 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 1b97 n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b97 s ILE 23 N -2.00 4.95 0.08 -0.61 -4.36 -0.16 -4.94 121.20 114.17 1b97 s ILE 23 Ca 0.00 -0.30 0.08 0.00 -0.26 0.00 0.00 60.65 60.17 1b97 s ILE 23 Cb 0.00 -3.27 -0.03 0.00 1.25 0.00 0.00 42.46 40.41 1b97 s ILE 23 CO 0.00 0.37 -0.22 -0.51 0.24 0.00 0.00 174.94 174.82 1b97 s ILE 24 N -1.21 1.78 0.38 8.37 2.07 -1.26 -1.23 121.20 130.10 1b97 s ILE 24 Ca 0.23 -1.44 0.04 0.00 -1.41 0.00 0.00 60.65 58.08 1b97 s ILE 24 Cb -0.12 -1.58 -0.01 0.00 0.13 0.00 0.00 42.46 40.88 1b97 s ILE 24 CO 0.14 0.07 0.55 -0.94 -1.91 0.00 0.00 174.94 172.85 1b97 s SER 25 N -1.63 5.92 0.54 4.50 1.04 -0.52 -4.98 113.70 118.57 1b97 s SER 25 Ca 0.08 0.01 0.28 0.00 0.48 0.00 0.00 55.95 56.80 1b97 s SER 25 Cb -0.10 -1.37 1.56 0.00 0.10 0.00 0.00 66.02 66.22 1b97 s SER 25 CO 0.03 -0.53 2.13 0.00 0.98 0.00 0.00 173.24 175.85 1b97 h ALA 26 N 0.70 1.34 -0.00 5.32 0.00 -2.01 -0.05 119.26 124.56 1b97 h ALA 26 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1b97 h ALA 26 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1b97 h ALA 26 CO 0.55 0.11 -0.04 0.39 0.00 0.00 0.00 179.25 180.25 1b97 n GLU 27 N -3.69 0.02 -0.04 0.00 4.71 -1.26 -4.95 120.64 115.44 1b97 n GLU 27 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1b97 n GLU 27 Cb 0.19 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1b97 n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b97 n GLY 28 N 1.49 0.70 3.74 0.62 0.00 -0.03 -5.08 105.19 106.63 1b97 n GLY 28 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1b97 n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b97 s LYS 29 N -0.96 4.53 -0.12 1.61 2.20 -1.26 -4.07 119.74 121.68 1b97 s LYS 29 Ca 0.00 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 1b97 s LYS 29 Cb 0.00 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1b97 s LYS 29 CO 0.00 0.28 -0.12 0.42 -0.36 0.00 0.00 175.35 175.57 1b97 s ILE 30 N -0.08 3.18 -0.22 5.43 1.01 0.33 -1.44 121.20 129.41 1b97 s ILE 30 Ca 0.40 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 1b97 s ILE 30 Cb -0.21 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1b97 s ILE 30 CO 0.24 0.53 -0.00 -0.31 0.00 0.00 0.00 174.94 175.40 1b97 s TYR 31 N 0.14 3.01 0.95 3.97 1.51 -0.36 -0.65 117.35 125.92 1b97 s TYR 31 Ca -0.06 -0.65 -0.10 0.00 -1.01 0.00 0.00 57.07 55.25 1b97 s TYR 31 Cb -0.15 -2.13 0.17 0.00 -0.11 0.00 0.00 41.96 39.74 1b97 s TYR 31 CO 0.04 -0.39 1.13 -2.14 -1.11 0.00 0.00 175.55 173.08 1b97 s PRO 32 N 1.34 0.74 0.32 -1.71 0.02 -1.26 -0.99 135.00 133.46 1b97 s PRO 32 Ca 0.04 1.44 -0.13 0.00 0.02 0.00 0.00 61.00 62.38 1b97 s PRO 32 Cb -0.15 -1.70 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 1b97 s PRO 32 CO 0.00 -2.79 0.70 -0.51 -0.33 0.00 0.00 177.00 174.07 1b97 s LEU 33 N -6.69 4.05 0.67 -5.54 1.43 -1.25 -4.76 118.68 106.58 1b97 s LEU 33 Ca 0.67 1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 54.91 1b97 s LEU 33 Cb -0.23 -3.97 0.08 0.00 0.03 0.00 0.00 46.19 42.09 1b97 s LEU 33 CO 0.59 -0.21 0.94 -0.83 0.23 0.00 0.00 176.35 177.07 1b97 s GLY 34 N -2.46 1.76 0.00 -3.19 0.00 -1.26 -4.70 107.32 97.48 1b97 s GLY 34 Ca 0.52 -1.29 0.24 0.00 0.00 0.00 0.00 44.72 44.19 1b97 s GLY 34 CO 0.21 -0.87 1.32 -1.14 0.00 0.00 0.00 173.10 172.61 1b97 n SER 35 N -2.74 0.59 -4.27 1.64 3.41 -1.26 -4.75 113.62 106.25 1b97 n SER 35 Ca 0.10 -0.38 -0.33 0.00 -0.26 0.00 0.00 58.87 58.00 1b97 n SER 35 Cb 0.60 0.39 0.15 0.00 -0.26 0.00 0.00 64.21 65.10 1b97 n SER 35 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1b97 n ASP 36 N -1.51 -2.44 0.08 4.04 9.92 -1.26 -4.89 116.55 120.49 1b97 n ASP 36 Ca 0.05 -0.05 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 1b97 n ASP 36 Cb 0.34 -0.95 -0.03 0.00 -0.64 0.00 0.00 41.12 39.84 1b97 n ASP 36 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1b97 h THR 37 N -1.91 0.41 -0.49 -3.53 2.02 -1.98 -2.91 112.91 104.51 1b97 h THR 37 Ca -0.51 -1.72 -0.00 0.00 0.77 0.00 0.00 66.41 64.94 1b97 h THR 37 Cb 1.35 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 69.71 1b97 h THR 37 CO 0.36 0.23 0.30 0.50 0.37 0.00 0.00 175.52 177.28 1b97 h LYS 38 N 0.00 0.67 0.15 6.66 3.64 -1.99 0.72 116.57 126.43 1b97 h LYS 38 Ca -0.08 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1b97 h LYS 38 Cb 1.36 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1b97 h LYS 38 CO 0.04 0.49 -0.07 0.28 -2.27 0.00 0.00 179.45 177.91 1b97 h VAL 39 N 0.66 0.99 -0.06 2.00 2.07 -1.92 -2.71 116.25 117.28 1b97 h VAL 39 Ca 0.18 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 1b97 h VAL 39 Cb -0.01 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1b97 h VAL 39 CO -0.03 0.17 -0.44 -0.07 0.02 0.00 0.00 177.57 177.21 1b97 h LEU 40 N -0.56 0.14 -0.68 2.57 3.38 -1.31 -0.47 115.31 118.39 1b97 h LEU 40 Ca -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1b97 h LEU 40 Cb 0.43 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1b97 h LEU 40 CO 0.03 0.57 0.42 -1.28 0.09 0.00 0.00 178.44 178.28 1b97 h SER 41 N 0.11 0.81 -0.19 -0.43 0.87 0.41 0.61 113.55 115.73 1b97 h SER 41 Ca 0.01 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1b97 h SER 41 Cb 0.83 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1b97 h SER 41 CO 0.06 0.62 0.06 0.74 -0.53 0.00 0.00 176.83 177.79 1b97 h THR 42 N 0.93 1.18 -0.24 2.23 2.02 -1.09 -2.47 112.91 115.47 1b97 h THR 42 Ca 0.25 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1b97 h THR 42 Cb -0.05 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1b97 h THR 42 CO -0.05 0.18 0.15 0.40 0.37 0.00 0.00 175.52 176.57 1b97 h ILE 43 N 0.14 1.08 -0.00 3.11 1.08 -0.58 -2.46 117.51 119.88 1b97 h ILE 43 Ca 0.06 -0.18 -0.06 0.00 -0.39 0.00 0.00 64.86 64.29 1b97 h ILE 43 Cb 0.22 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 1b97 h ILE 43 CO -0.00 0.08 -0.27 -0.26 -0.69 0.00 0.00 178.15 177.01 1b97 h PHE 44 N 0.31 0.00 -0.08 1.37 0.04 -0.88 -0.02 116.94 117.69 1b97 h PHE 44 Ca 0.09 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1b97 h PHE 44 Cb -0.00 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1b97 h PHE 44 CO -0.05 0.27 -0.00 1.49 -0.60 0.00 0.00 178.31 179.42 1b97 h GLU 45 N 0.00 0.13 -0.08 1.51 4.81 -1.27 -2.50 114.58 117.19 1b97 h GLU 45 Ca -0.00 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1b97 h GLU 45 Cb 0.48 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1b97 h GLU 45 CO 0.04 0.41 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.46 1b97 h LEU 46 N -0.15 0.12 -0.85 1.64 3.38 -1.09 -2.43 115.31 115.93 1b97 h LEU 46 Ca 0.02 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1b97 h LEU 46 Cb 0.35 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1b97 h LEU 46 CO 0.00 0.33 -0.57 0.15 0.09 0.00 0.00 178.44 178.44 1b97 h PHE 47 N 0.12 0.00 0.00 1.13 3.57 -0.97 -3.25 116.94 117.54 1b97 h PHE 47 Ca 0.02 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 1b97 h PHE 47 Cb 0.42 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1b97 h PHE 47 CO 0.00 0.57 -1.02 0.77 -2.23 0.00 0.00 178.31 176.41 1b97 h SER 48 N 0.00 0.00 -0.46 0.41 0.02 -0.99 -3.41 113.55 109.13 1b97 h SER 48 Ca -0.01 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1b97 h SER 48 Cb 1.02 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.47 1b97 h SER 48 CO 0.07 0.85 -0.51 0.03 -1.14 0.00 0.00 176.83 176.13 1b97 h ARG 49 N 0.00 -0.33 -0.45 3.45 3.08 -1.48 -0.23 114.38 118.41 1b97 h ARG 49 Ca -0.06 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1b97 h ARG 49 Cb 1.70 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.81 1b97 h ARG 49 CO 0.10 -0.22 0.10 -1.00 -1.07 0.00 0.00 179.97 177.88 1b97 h PRO 50 N -0.34 0.68 -0.01 0.04 0.13 -1.78 -1.81 132.00 128.90 1b97 h PRO 50 Ca 0.11 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1b97 h PRO 50 Cb 0.58 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1b97 h PRO 50 CO -0.62 0.63 0.00 0.82 -0.23 0.00 0.00 178.00 178.60 1b97 h ILE 51 N 0.66 1.19 -0.16 -3.56 2.04 -1.63 -1.26 117.51 114.80 1b97 h ILE 51 Ca 0.15 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.47 1b97 h ILE 51 Cb 0.26 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1b97 h ILE 51 CO -0.00 0.15 -0.04 0.40 0.00 0.00 0.00 178.15 178.66 1b97 h ILE 52 N -0.21 0.84 -0.56 -0.67 2.04 -0.92 -1.92 117.51 116.10 1b97 h ILE 52 Ca 0.00 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1b97 h ILE 52 Cb 0.24 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1b97 h ILE 52 CO 0.00 0.00 0.29 -1.13 0.00 0.00 0.00 178.15 177.31 1b97 h ASN 53 N 0.00 0.42 -0.17 1.72 -1.24 -1.28 -0.14 115.58 114.90 1b97 h ASN 53 Ca 0.08 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1b97 h ASN 53 Cb 0.11 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1b97 h ASN 53 CO -0.16 0.28 0.10 0.50 -1.29 0.00 0.00 177.43 176.86 1b97 h LYS 54 N 0.56 0.21 -0.31 6.67 3.11 -0.90 -1.71 116.57 124.19 1b97 h LYS 54 Ca 0.25 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.99 1b97 h LYS 54 Cb 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 1b97 h LYS 54 CO -0.17 0.14 -0.15 0.82 -2.81 0.00 0.00 179.45 177.28 1b97 h ILE 55 N 0.21 1.29 -0.51 2.00 1.08 -1.10 -2.93 117.51 117.55 1b97 h ILE 55 Ca 0.06 -1.25 0.06 0.00 -0.39 0.00 0.00 64.86 63.34 1b97 h ILE 55 Cb -0.02 1.44 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 1b97 h ILE 55 CO -0.02 0.40 0.23 0.00 -0.69 0.00 0.00 178.15 178.07 1b97 h ALA 56 N 0.76 0.65 -0.76 1.87 0.00 -1.00 -2.32 119.26 118.47 1b97 h ALA 56 Ca 0.07 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1b97 h ALA 56 Cb 0.68 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1b97 h ALA 56 CO 0.05 -0.14 0.50 0.93 0.00 0.00 0.00 179.25 180.58 1b97 h GLU 57 N 0.45 0.86 0.00 0.00 5.08 -1.26 0.28 114.58 119.99 1b97 h GLU 57 Ca 0.24 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1b97 h GLU 57 Cb 0.20 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1b97 h GLU 57 CO -0.20 0.57 0.00 -0.22 -1.00 0.00 0.00 179.01 178.16 1b97 h LYS 58 N 0.89 0.00 -0.40 2.33 3.64 -1.23 -2.34 116.57 119.46 1b97 h LYS 58 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1b97 h LYS 58 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1b97 h LYS 58 CO -0.10 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.80 1b97 n HIS 59 N -3.00 1.28 -1.55 1.91 8.25 -0.68 -4.95 115.22 116.48 1b97 n HIS 59 Ca 0.00 -0.77 -0.13 0.00 -0.26 0.00 0.00 57.72 56.56 1b97 n HIS 59 Cb 0.27 -0.33 -0.05 0.00 1.12 0.00 0.00 29.99 30.99 1b97 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b97 n GLY 60 N 0.09 1.12 3.86 -1.41 0.00 -0.88 -5.00 105.19 102.97 1b97 n GLY 60 Ca 0.23 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1b97 n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b97 s TYR 61 N -2.53 3.66 0.09 1.61 1.51 -0.00 -4.60 117.35 117.08 1b97 s TYR 61 Ca 0.00 0.84 -0.03 0.00 -1.01 0.00 0.00 57.07 56.87 1b97 s TYR 61 Cb 0.00 -2.18 -0.05 0.00 -0.11 0.00 0.00 41.96 39.62 1b97 s TYR 61 CO 0.00 0.62 0.29 0.42 -1.11 0.00 0.00 175.55 175.77 1b97 s ILE 62 N -1.18 5.28 -0.14 2.71 1.09 -0.94 -3.56 121.20 124.46 1b97 s ILE 62 Ca 0.26 -0.11 -0.02 0.00 -1.10 0.00 0.00 60.65 59.68 1b97 s ILE 62 Cb -0.15 -3.61 -0.02 0.00 -1.06 0.00 0.00 42.46 37.61 1b97 s ILE 62 CO 0.14 0.14 -0.07 -0.69 -0.10 0.00 0.00 174.94 174.35 1b97 s VAL 63 N -1.53 3.58 -0.10 2.92 1.01 -1.26 -2.85 120.40 122.17 1b97 s VAL 63 Ca 0.36 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1b97 s VAL 63 Cb -0.13 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.73 1b97 s VAL 63 CO 0.24 0.52 -0.15 -1.61 0.00 0.00 0.00 175.10 174.10 1b97 s GLU 64 N 0.21 2.11 0.24 2.72 2.02 -0.57 -4.97 118.70 120.46 1b97 s GLU 64 Ca -0.05 -0.53 0.04 0.00 0.02 0.00 0.00 54.97 54.46 1b97 s GLU 64 Cb -0.14 -1.79 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 1b97 s GLU 64 CO 0.04 -0.04 0.38 -1.21 0.02 0.00 0.00 175.26 174.44 1b97 s GLU 65 N 0.93 3.45 0.22 1.61 2.02 -1.26 -1.46 118.70 124.20 1b97 s GLU 65 Ca -0.08 -0.69 -0.31 0.00 0.02 0.00 0.00 54.97 53.91 1b97 s GLU 65 Cb -0.15 -2.87 -0.15 0.00 0.10 0.00 0.00 34.13 31.06 1b97 s GLU 65 CO -0.00 0.40 1.09 -2.30 0.02 0.00 0.00 175.26 174.47 1b97 n PRO 66 N -1.37 1.21 0.02 0.39 -0.02 -1.26 -4.88 135.00 129.09 1b97 n PRO 66 Ca -0.08 0.43 -0.15 0.00 -2.02 0.00 0.00 63.50 61.67 1b97 n PRO 66 Cb 0.57 -1.86 -0.14 0.00 -0.02 0.00 0.00 33.50 32.04 1b97 n PRO 66 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1b97 h LYS 67 N 2.82 0.17 -6.28 -0.52 3.64 -1.95 -3.46 116.57 110.99 1b97 h LYS 67 Ca -0.41 -0.29 -0.61 0.00 -1.27 0.00 0.00 60.65 58.07 1b97 h LYS 67 Cb 1.34 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 33.18 1b97 h LYS 67 CO 0.66 0.95 -0.62 -0.65 -2.27 0.00 0.00 179.45 177.52 1b97 s GLN 68 N -2.60 2.66 0.67 1.90 -0.21 -1.26 -5.11 119.66 115.70 1b97 s GLN 68 Ca -0.11 -0.91 -0.13 0.00 0.02 0.00 0.00 55.36 54.24 1b97 s GLN 68 Cb 0.07 -2.54 -0.00 0.00 1.00 0.00 0.00 33.01 31.54 1b97 s GLN 68 CO 0.82 0.50 1.06 -0.51 -2.12 0.00 0.00 175.29 175.05 1b97 s LEU 69 N -2.77 3.25 -1.33 2.90 2.01 -1.26 -3.96 118.68 117.53 1b97 s LEU 69 Ca 0.28 1.71 -0.05 0.00 0.01 0.00 0.00 54.13 56.08 1b97 s LEU 69 Cb -0.10 -4.51 0.01 0.00 0.01 0.00 0.00 46.19 41.59 1b97 s LEU 69 CO 0.20 -1.41 0.71 0.59 1.01 0.00 0.00 176.35 177.45 1b97 n ASN 70 N -2.78 -5.73 -4.15 2.29 3.02 -1.26 -5.01 115.26 101.64 1b97 n ASN 70 Ca 0.08 -0.33 -0.31 0.00 -0.03 0.00 0.00 54.58 54.00 1b97 n ASN 70 Cb 0.53 -4.49 -0.17 0.00 -0.61 0.00 0.00 39.78 35.04 1b97 n ASN 70 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1b97 s HIS 71 N -3.17 2.37 0.44 3.10 3.76 -1.25 -4.80 115.29 115.74 1b97 s HIS 71 Ca 0.35 -1.09 -0.20 0.00 -0.15 0.00 0.00 55.06 53.98 1b97 s HIS 71 Cb -0.15 -1.63 -0.10 0.00 1.11 0.00 0.00 32.58 31.81 1b97 s HIS 71 CO 0.43 -0.49 0.94 -0.47 -0.85 0.00 0.00 174.74 174.30 1b97 s TYR 72 N 0.69 3.34 0.55 1.40 6.14 -0.02 -4.63 117.35 124.82 1b97 s TYR 72 Ca -0.11 1.55 0.08 0.00 0.64 0.00 0.00 57.07 59.23 1b97 s TYR 72 Cb -0.16 -2.82 0.08 0.00 0.42 0.00 0.00 41.96 39.48 1b97 s TYR 72 CO 0.02 -0.15 0.64 -0.35 0.64 0.00 0.00 175.55 176.35 1b97 n PRO 73 N -0.81 0.65 -0.06 4.97 -0.04 -1.26 -0.51 135.00 137.94 1b97 n PRO 73 Ca 0.07 -3.13 -0.08 0.00 -0.04 0.00 0.00 63.50 60.31 1b97 n PRO 73 Cb 0.54 -0.02 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 1b97 n PRO 73 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1b97 h ASP 74 N 0.29 -0.02 -3.76 3.54 3.32 -1.77 -3.40 116.42 114.63 1b97 h ASP 74 Ca -0.29 0.04 -0.44 0.00 0.02 0.00 0.00 57.03 56.37 1b97 h ASP 74 Cb 1.22 0.06 -0.31 0.00 0.22 0.00 0.00 39.33 40.51 1b97 h ASP 74 CO 0.43 0.02 -0.79 -0.36 -1.72 0.00 0.00 179.24 176.82 1b97 s PHE 75 N -6.18 0.99 -0.21 4.55 0.08 -0.32 -4.31 117.98 112.57 1b97 s PHE 75 Ca -0.13 -0.26 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 1b97 s PHE 75 Cb 0.10 -0.72 0.02 0.00 -0.57 0.00 0.00 43.02 41.86 1b97 s PHE 75 CO 0.69 -0.12 -0.12 0.99 -0.10 0.00 0.00 175.22 176.56 1b97 s THR 76 N 0.28 2.58 -0.02 0.64 2.01 -0.53 -0.46 115.64 120.14 1b97 s THR 76 Ca -0.05 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1b97 s THR 76 Cb -0.10 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 1b97 s THR 76 CO 0.01 0.38 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.53 1b97 s LEU 77 N 1.33 3.39 -0.23 4.42 1.02 0.52 -1.51 118.68 127.61 1b97 s LEU 77 Ca 0.03 -0.03 -0.28 0.00 0.02 0.00 0.00 54.13 53.86 1b97 s LEU 77 Cb -0.15 -1.91 0.15 0.00 0.02 0.00 0.00 46.19 44.31 1b97 s LEU 77 CO -0.08 0.30 1.16 -0.72 0.02 0.00 0.00 176.35 177.03 1b97 s TYR 78 N -1.01 -0.25 0.11 0.29 1.13 -1.13 -0.36 117.35 116.12 1b97 s TYR 78 Ca 0.17 0.50 -0.15 0.00 -1.41 0.00 0.00 57.07 56.18 1b97 s TYR 78 Cb -0.11 0.45 -0.07 0.00 -1.10 0.00 0.00 41.96 41.13 1b97 s TYR 78 CO 0.08 -0.20 0.53 0.15 -2.51 0.00 0.00 175.55 173.60 1b97 s LYS 79 N -0.71 4.00 0.58 -3.49 1.02 -1.26 -2.22 119.74 117.66 1b97 s LYS 79 Ca 0.03 0.51 0.28 0.00 0.02 0.00 0.00 55.97 56.81 1b97 s LYS 79 Cb -0.02 -3.03 1.72 0.00 -0.52 0.00 0.00 37.83 35.98 1b97 s LYS 79 CO -0.05 0.54 2.21 -1.35 -0.92 0.00 0.00 175.35 175.78 1b97 h PRO 80 N 3.88 0.00 -0.01 -1.68 0.11 -2.00 -1.15 132.00 131.16 1b97 h PRO 80 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1b97 h PRO 80 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1b97 h PRO 80 CO 0.65 0.00 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.27 1b97 n SER 81 N -3.93 0.58 -3.16 -2.05 3.41 -1.26 -4.24 113.62 102.97 1b97 n SER 81 Ca -0.02 -0.97 -0.21 0.00 -0.26 0.00 0.00 58.87 57.41 1b97 n SER 81 Cb 0.14 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 1b97 n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b97 n GLU 82 N -0.67 0.81 0.23 4.33 1.02 -0.43 -4.99 120.64 120.94 1b97 n GLU 82 Ca 0.19 -3.18 0.06 0.00 -0.02 0.00 0.00 57.16 54.21 1b97 n GLU 82 Cb 0.24 -1.38 0.54 0.00 -0.02 0.00 0.00 31.44 30.82 1b97 n GLU 82 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1b97 h PRO 83 N 3.65 0.00 -0.64 3.49 0.13 -1.73 -2.30 132.00 134.59 1b97 h PRO 83 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1b97 h PRO 83 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1b97 h PRO 83 CO 0.46 0.17 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 1b97 n ASN 84 N -4.24 4.76 -2.57 1.44 4.13 -1.26 -4.25 115.26 113.26 1b97 n ASN 84 Ca -0.02 -2.62 -0.22 0.00 1.68 0.00 0.00 54.58 53.40 1b97 n ASN 84 Cb 0.24 -0.61 0.01 0.00 -1.54 0.00 0.00 39.78 37.87 1b97 n ASN 84 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1b97 n LYS 85 N 0.75 2.69 -2.48 3.52 5.02 -0.87 -4.49 118.16 122.31 1b97 n LYS 85 Ca 0.24 -4.13 -0.33 0.00 -2.02 0.00 0.00 58.31 52.06 1b97 n LYS 85 Cb 0.96 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 1b97 n LYS 85 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1b97 s LYS 86 N -3.39 3.83 -0.14 1.97 1.02 -0.31 -4.69 119.74 118.04 1b97 s LYS 86 Ca 0.42 1.20 0.01 0.00 0.02 0.00 0.00 55.97 57.62 1b97 s LYS 86 Cb 0.41 -2.11 -0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1b97 s LYS 86 CO -0.12 -0.38 -0.17 0.42 -0.92 0.00 0.00 175.35 174.18 1b97 s ILE 87 N -2.24 2.60 -0.19 2.17 1.01 0.51 -0.91 121.20 124.14 1b97 s ILE 87 Ca 0.64 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 1b97 s ILE 87 Cb -0.13 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1b97 s ILE 87 CO 0.24 0.53 0.08 0.00 0.00 0.00 0.00 174.94 175.79 1b97 s ALA 88 N 0.63 3.48 -0.10 9.38 0.00 -0.64 -0.35 121.76 134.14 1b97 s ALA 88 Ca -0.09 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1b97 s ALA 88 Cb -0.16 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 20.96 1b97 s ALA 88 CO 0.03 0.13 -0.18 0.42 0.00 0.00 0.00 175.76 176.15 1b97 s ILE 89 N 0.46 1.66 -0.04 0.00 1.01 0.39 -0.20 121.20 124.48 1b97 s ILE 89 Ca 0.05 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.99 1b97 s ILE 89 Cb -0.12 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 1b97 s ILE 89 CO 0.00 0.47 -0.21 -0.62 0.00 0.00 0.00 174.94 174.59 1b97 s ASP 90 N 0.76 2.51 -0.23 3.58 2.15 -0.63 -1.17 116.67 123.64 1b97 s ASP 90 Ca -0.11 -0.41 -0.09 0.00 0.43 0.00 0.00 52.55 52.37 1b97 s ASP 90 Cb -0.16 -0.59 -0.04 0.00 -0.30 0.00 0.00 42.92 41.83 1b97 s ASP 90 CO 0.02 0.21 0.12 -0.63 -0.17 0.00 0.00 175.17 174.72 1b97 s ILE 91 N -0.16 5.01 0.01 4.11 1.01 -1.26 -1.00 121.20 128.92 1b97 s ILE 91 Ca -0.01 0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.77 1b97 s ILE 91 Cb -0.11 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1b97 s ILE 91 CO 0.02 0.36 -0.21 -0.54 0.00 0.00 0.00 174.94 174.57 1b97 s LYS 92 N 1.10 1.55 0.01 2.79 1.02 -0.15 -4.97 119.74 121.10 1b97 s LYS 92 Ca 0.06 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.24 1b97 s LYS 92 Cb -0.14 -1.58 -0.01 0.00 -0.52 0.00 0.00 37.83 35.58 1b97 s LYS 92 CO 0.04 0.42 -0.11 0.99 -0.92 0.00 0.00 175.35 175.77 1b97 s THR 93 N -0.64 0.86 0.25 2.17 2.01 -1.26 -0.61 115.64 118.42 1b97 s THR 93 Ca 0.08 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.33 1b97 s THR 93 Cb -0.08 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1b97 s THR 93 CO 0.00 0.08 0.35 0.28 -0.69 0.00 0.00 174.62 174.64 1b97 s THR 94 N -0.57 0.00 0.50 -0.82 -1.32 -0.56 -4.97 115.64 107.90 1b97 s THR 94 Ca 0.02 -1.67 0.04 0.00 -1.21 0.00 0.00 61.69 58.86 1b97 s THR 94 Cb -0.06 -2.39 -0.01 0.00 -1.51 0.00 0.00 72.50 68.53 1b97 s THR 94 CO 0.00 0.00 0.14 -0.72 -2.21 0.00 0.00 174.62 171.83 1b97 s TYR 95 N -3.88 1.97 -0.11 9.09 1.13 -1.26 -2.49 117.35 121.79 1b97 s TYR 95 Ca 0.30 -0.84 -0.08 0.00 -1.41 0.00 0.00 57.07 55.04 1b97 s TYR 95 Cb 0.02 -1.76 0.04 0.00 -1.10 0.00 0.00 41.96 39.16 1b97 s TYR 95 CO 0.13 0.05 0.28 -0.08 -2.51 0.00 0.00 175.55 173.41 1b97 s THR 96 N -2.79 -0.01 -0.13 -3.49 -1.32 0.32 -4.82 115.64 103.40 1b97 s THR 96 Ca 0.21 0.05 -0.15 0.00 -1.21 0.00 0.00 61.69 60.59 1b97 s THR 96 Cb 0.02 -0.40 -0.13 0.00 -1.51 0.00 0.00 72.50 70.47 1b97 s THR 96 CO 0.12 0.02 0.36 0.78 -2.21 0.00 0.00 174.62 173.69 1b97 h ASN 97 N 6.29 0.00 -2.86 8.08 2.35 -1.94 -2.00 115.58 125.51 1b97 h ASN 97 Ca -0.31 -0.49 -0.66 0.00 -0.55 0.00 0.00 56.30 54.28 1b97 h ASN 97 Cb 1.18 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.47 1b97 h ASN 97 CO 0.34 0.81 -0.52 -0.75 -1.65 0.00 0.00 177.43 175.66 1b97 s LYS 98 N -1.95 3.31 0.15 0.81 2.20 -1.26 -4.55 119.74 118.44 1b97 s LYS 98 Ca -0.11 -0.28 -0.33 0.00 -0.36 0.00 0.00 55.97 54.89 1b97 s LYS 98 Cb -0.01 -3.05 -0.13 0.00 -1.51 0.00 0.00 37.83 33.13 1b97 s LYS 98 CO 0.37 0.72 1.68 -0.85 -0.36 0.00 0.00 175.35 176.90 1b97 n GLU 99 N 1.61 2.40 -1.14 4.03 0.00 -1.26 -2.60 120.64 123.68 1b97 n GLU 99 Ca -0.16 0.87 -0.05 0.00 0.00 0.00 0.00 57.16 57.82 1b97 n GLU 99 Cb 0.54 -2.68 -0.02 0.00 0.00 0.00 0.00 31.44 29.28 1b97 n GLU 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1b97 n ASN 100 N 4.14 -3.57 -4.76 -1.84 5.15 -1.26 -5.05 115.26 108.07 1b97 n ASN 100 Ca 0.17 0.12 -0.29 0.00 -0.60 0.00 0.00 54.58 53.98 1b97 n ASN 100 Cb 0.31 -1.49 0.14 0.00 -0.53 0.00 0.00 39.78 38.22 1b97 n ASN 100 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1b97 s GLU 101 N -2.39 1.10 0.60 1.20 2.02 -1.07 -4.90 118.70 115.25 1b97 s GLU 101 Ca 0.00 0.40 -0.19 0.00 0.02 0.00 0.00 54.97 55.20 1b97 s GLU 101 Cb 0.00 -1.82 -0.03 0.00 0.10 0.00 0.00 34.13 32.37 1b97 s GLU 101 CO 0.00 -2.25 1.21 0.15 0.02 0.00 0.00 175.26 174.39 1b97 s LYS 102 N -5.18 2.95 0.23 1.61 1.02 -1.26 -4.72 119.74 114.38 1b97 s LYS 102 Ca 0.64 1.83 0.02 0.00 0.02 0.00 0.00 55.97 58.48 1b97 s LYS 102 Cb -0.16 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 1b97 s LYS 102 CO 0.54 -1.22 0.04 0.96 -0.92 0.00 0.00 175.35 174.75 1b97 s ILE 103 N -1.60 0.75 -0.05 2.17 -4.36 -0.07 -4.91 121.20 113.13 1b97 s ILE 103 Ca 0.77 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.91 1b97 s ILE 103 Cb -0.30 -2.41 0.06 0.00 1.25 0.00 0.00 42.46 41.05 1b97 s ILE 103 CO 0.33 -0.23 0.56 -1.59 0.24 0.00 0.00 174.94 174.25 1b97 s LYS 104 N -3.94 0.92 0.27 0.37 -2.85 -1.26 -2.02 119.74 111.21 1b97 s LYS 104 Ca 0.31 0.17 0.10 0.00 -1.00 0.00 0.00 55.97 55.55 1b97 s LYS 104 Cb 0.07 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 1b97 s LYS 104 CO 0.09 -0.27 -0.15 -0.06 0.10 0.00 0.00 175.35 175.07 1b97 s PHE 105 N -1.11 2.08 -0.21 1.78 0.40 -1.26 -4.88 117.98 114.78 1b97 s PHE 105 Ca -0.11 -0.48 -0.15 0.00 -0.60 0.00 0.00 56.93 55.59 1b97 s PHE 105 Cb -0.02 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 1b97 s PHE 105 CO 0.08 0.53 0.37 0.95 0.70 0.00 0.00 175.22 177.85 1b97 s THR 106 N -2.73 5.22 -0.56 0.64 -4.23 -1.26 -1.77 115.64 110.94 1b97 s THR 106 Ca 0.28 0.63 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 1b97 s THR 106 Cb -0.02 -3.70 0.47 0.00 1.34 0.00 0.00 72.50 70.60 1b97 s THR 106 CO 0.12 0.26 1.82 0.18 -0.54 0.00 0.00 174.62 176.46 1b97 n LEU 107 N 4.50 6.89 0.00 4.79 4.77 0.21 -4.95 117.00 133.21 1b97 n LEU 107 Ca -0.09 -4.33 0.00 0.00 -0.03 0.00 0.00 56.01 51.56 1b97 n LEU 107 Cb 0.51 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1b97 n LEU 107 CO 0.39 1.58 0.00 0.61 -1.33 0.00 0.00 177.39 178.64 1b97 n GLY 108 N -0.90 0.33 3.79 -0.72 0.00 -1.26 -4.60 105.19 101.84 1b97 n GLY 108 Ca 0.57 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1b97 n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b97 s GLY 109 N -1.61 1.78 0.00 -0.02 0.00 -1.26 -0.28 107.32 105.94 1b97 s GLY 109 Ca 0.00 0.24 0.17 0.00 0.00 0.00 0.00 44.72 45.12 1b97 s GLY 109 CO 0.00 0.56 1.07 1.58 0.00 0.00 0.00 173.10 176.31 1b97 n TYR 110 N -3.04 0.07 0.05 1.90 0.18 -0.69 -4.53 117.16 111.11 1b97 n TYR 110 Ca 0.08 -0.05 0.01 0.00 1.88 0.00 0.00 57.90 59.83 1b97 n TYR 110 Cb 0.53 -0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.51 1b97 n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1b97 n THR 111 N 0.95 0.41 0.00 -3.48 -2.24 -1.26 -4.55 114.28 104.12 1b97 n THR 111 Ca 0.11 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1b97 n THR 111 Cb 0.43 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1b97 n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b97 n SER 112 N 0.00 0.00 0.30 3.42 3.41 -1.26 -4.66 113.62 114.83 1b97 n SER 112 Ca 0.02 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.81 1b97 n SER 112 Cb 0.17 0.00 0.91 0.00 -0.26 0.00 0.00 64.21 65.02 1b97 n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1b97 h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.63 -1.12 116.94 116.37 1b97 h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1b97 h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1b97 h PHE 113 CO 0.00 0.04 0.00 -0.84 -2.00 0.00 0.00 178.31 175.51 1b97 h ILE 114 N 0.00 0.00 0.00 0.88 3.07 -1.85 -3.26 117.51 116.35 1b97 h ILE 114 Ca -0.00 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.00 1b97 h ILE 114 Cb 0.23 1.31 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 1b97 h ILE 114 CO 0.01 0.00 -0.32 0.54 -1.05 0.00 0.00 178.15 177.33 1b97 n ARG 115 N -2.31 4.96 -3.60 0.16 1.74 -0.72 -4.89 116.66 112.00 1b97 n ARG 115 Ca 0.04 -0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.86 1b97 n ARG 115 Cb 0.36 -0.72 -0.17 0.00 -1.02 0.00 0.00 32.46 30.91 1b97 n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1b97 s ASN 116 N -1.48 2.40 0.38 0.55 3.84 -0.50 -5.05 114.94 115.06 1b97 s ASN 116 Ca 0.01 -0.65 0.24 0.00 0.21 0.00 0.00 52.86 52.66 1b97 s ASN 116 Cb 0.02 -0.21 1.34 0.00 -0.55 0.00 0.00 41.25 41.84 1b97 s ASN 116 CO 0.13 -0.36 1.51 -3.20 -2.79 0.00 0.00 177.10 172.39 1b97 n ASN 117 N 5.28 0.29 -0.38 -4.21 5.15 -1.26 -1.59 115.26 118.54 1b97 n ASN 117 Ca -0.07 1.51 0.09 0.00 -0.60 0.00 0.00 54.58 55.51 1b97 n ASN 117 Cb 0.48 -0.74 0.18 0.00 -0.53 0.00 0.00 39.78 39.18 1b97 n ASN 117 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1b97 n THR 118 N -5.00 2.05 -3.21 -0.44 -2.24 -1.26 0.17 114.28 104.35 1b97 n THR 118 Ca 0.37 -2.18 -0.40 0.00 -2.27 0.00 0.00 64.05 59.57 1b97 n THR 118 Cb 1.32 -0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 69.23 1b97 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1b97 s LYS 119 N -2.88 4.10 -1.50 -0.78 2.20 -0.62 -4.39 119.74 115.87 1b97 s LYS 119 Ca 0.36 0.39 -0.13 0.00 -0.36 0.00 0.00 55.97 56.23 1b97 s LYS 119 Cb 0.31 -3.64 0.07 0.00 -1.51 0.00 0.00 37.83 33.06 1b97 s LYS 119 CO 0.05 -0.34 1.00 0.09 -0.36 0.00 0.00 175.35 175.79 1b97 n ASN 120 N 5.47 -5.14 -3.93 1.43 4.13 -1.26 -2.46 115.26 113.50 1b97 n ASN 120 Ca -0.03 -0.71 -0.11 0.00 1.68 0.00 0.00 54.58 55.41 1b97 n ASN 120 Cb 0.50 -4.09 -0.13 0.00 -1.54 0.00 0.00 39.78 34.52 1b97 n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1b97 s ILE 121 N -3.28 0.07 0.17 2.41 2.07 -1.26 -0.84 121.20 120.54 1b97 s ILE 121 Ca 0.64 -0.45 -0.12 0.00 -1.41 0.00 0.00 60.65 59.31 1b97 s ILE 121 Cb -0.31 -0.15 0.07 0.00 0.13 0.00 0.00 42.46 42.21 1b97 s ILE 121 CO 0.79 -0.24 1.73 0.58 -1.91 0.00 0.00 174.94 175.90 1b97 h VAL 122 N 4.90 1.22 -3.60 4.00 2.07 -1.09 -3.44 116.25 120.32 1b97 h VAL 122 Ca -0.28 -0.69 -0.46 0.00 0.82 0.00 0.00 66.70 66.09 1b97 h VAL 122 Cb 1.21 0.57 -0.19 0.00 -1.52 0.00 0.00 31.29 31.36 1b97 h VAL 122 CO 0.46 0.27 -0.78 -0.31 0.02 0.00 0.00 177.57 177.23 1b97 s TYR 123 N -5.58 1.54 0.21 1.57 2.02 -1.26 -5.05 117.35 110.79 1b97 s TYR 123 Ca -0.13 -0.51 -0.31 0.00 -0.37 0.00 0.00 57.07 55.76 1b97 s TYR 123 Cb 0.13 -0.81 -0.15 0.00 -0.40 0.00 0.00 41.96 40.73 1b97 s TYR 123 CO 0.79 0.19 1.05 -2.30 -1.57 0.00 0.00 175.55 173.71 1b97 n PRO 124 N 0.63 1.10 0.04 -1.71 -0.02 -1.26 -4.83 135.00 128.95 1b97 n PRO 124 Ca -0.16 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1b97 n PRO 124 Cb 0.56 -1.80 0.58 0.00 -0.02 0.00 0.00 33.50 32.82 1b97 n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1b97 h PHE 125 N 2.66 0.21 0.00 6.00 3.57 -0.61 -1.84 116.94 126.94 1b97 h PHE 125 Ca -0.41 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1b97 h PHE 125 Cb 1.35 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1b97 h PHE 125 CO 0.51 0.11 0.00 -0.40 -2.23 0.00 0.00 178.31 176.30 1b97 n ASP 126 N -4.47 0.00 -0.16 0.41 5.75 -1.26 -2.60 116.55 114.22 1b97 n ASP 126 Ca 0.05 -0.71 0.12 0.00 -0.01 0.00 0.00 54.79 54.25 1b97 n ASP 126 Cb 0.32 -0.05 0.29 0.00 -1.03 0.00 0.00 41.12 40.65 1b97 n ASP 126 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b97 n GLN 127 N -1.05 0.53 -3.68 0.11 6.02 -0.69 -4.87 117.38 113.75 1b97 n GLN 127 Ca 0.19 -0.32 -0.36 0.00 -0.01 0.00 0.00 57.00 56.49 1b97 n GLN 127 Cb 0.11 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.81 1b97 n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1b97 s TYR 128 N -2.70 3.51 -1.65 1.08 2.02 -1.07 -1.16 117.35 117.37 1b97 s TYR 128 Ca 0.19 0.53 0.17 0.00 -0.37 0.00 0.00 57.07 57.59 1b97 s TYR 128 Cb 0.18 -2.17 0.03 0.00 -0.40 0.00 0.00 41.96 39.60 1b97 s TYR 128 CO 0.60 0.43 0.91 0.44 -1.57 0.00 0.00 175.55 176.35 1b97 n ILE 129 N 2.97 0.00 -3.65 2.71 -6.64 -0.09 -4.86 119.36 109.80 1b97 n ILE 129 Ca -0.15 -0.37 -0.15 0.00 -1.77 0.00 0.00 62.75 60.31 1b97 n ILE 129 Cb 0.53 1.23 -0.08 0.00 -1.44 0.00 0.00 39.64 39.88 1b97 n ILE 129 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1b97 s ALA 130 N -1.79 -1.41 -0.28 -1.28 0.00 -1.23 -5.07 121.76 110.68 1b97 s ALA 130 Ca 0.15 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1b97 s ALA 130 Cb 0.13 -0.56 0.09 0.00 0.00 0.00 0.00 23.12 22.78 1b97 s ALA 130 CO 0.36 -0.29 0.05 -1.01 0.00 0.00 0.00 175.76 174.86 1b97 s HIS 131 N -0.30 2.17 0.03 0.00 3.76 -1.26 -1.62 115.29 118.06 1b97 s HIS 131 Ca -0.05 -1.87 -0.01 0.00 -0.15 0.00 0.00 55.06 52.99 1b97 s HIS 131 Cb -0.03 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 1b97 s HIS 131 CO 0.04 -0.84 0.17 -1.58 -0.85 0.00 0.00 174.74 171.68 1b97 s TRP 132 N 1.46 3.47 -0.18 1.40 0.51 0.72 -0.84 118.94 125.49 1b97 s TRP 132 Ca 0.05 0.26 -0.01 0.00 -2.12 0.00 0.00 56.10 54.28 1b97 s TRP 132 Cb -0.18 -1.76 -0.00 0.00 -0.81 0.00 0.00 33.47 30.71 1b97 s TRP 132 CO -0.16 0.60 -0.12 0.42 -0.51 0.00 0.00 176.95 177.18 1b97 s ILE 133 N -1.40 2.87 -0.44 2.03 -1.09 0.39 -1.60 121.20 121.96 1b97 s ILE 133 Ca 0.30 -0.69 -0.16 0.00 -2.23 0.00 0.00 60.65 57.88 1b97 s ILE 133 Cb -0.13 -2.24 0.04 0.00 -1.58 0.00 0.00 42.46 38.55 1b97 s ILE 133 CO 0.23 0.49 0.37 -0.63 -1.23 0.00 0.00 174.94 174.17 1b97 s ILE 134 N 1.03 5.21 -0.20 2.92 1.01 -0.17 -1.71 121.20 129.28 1b97 s ILE 134 Ca -0.01 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 1b97 s ILE 134 Cb -0.15 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1b97 s ILE 134 CO -0.02 -0.45 0.15 -0.83 0.00 0.00 0.00 174.94 173.79 1b97 s GLY 135 N 2.07 2.05 -0.09 6.18 0.00 -0.76 -0.98 107.32 115.80 1b97 s GLY 135 Ca 0.06 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 44.14 1b97 s GLY 135 CO 0.09 0.19 -0.20 -0.19 0.00 0.00 0.00 173.10 173.00 1b97 s TYR 136 N 0.43 2.62 -0.06 1.90 2.02 0.22 -1.40 117.35 123.07 1b97 s TYR 136 Ca 0.09 -0.68 0.05 0.00 -0.37 0.00 0.00 57.07 56.16 1b97 s TYR 136 Cb -0.11 -1.70 -0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1b97 s TYR 136 CO -0.01 -0.20 -0.21 0.08 -1.57 0.00 0.00 175.55 173.64 1b97 s VAL 137 N 0.01 1.79 0.05 0.71 1.01 -0.63 -1.50 120.40 121.85 1b97 s VAL 137 Ca -0.07 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1b97 s VAL 137 Cb -0.15 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1b97 s VAL 137 CO 0.05 0.50 -0.09 -0.72 0.00 0.00 0.00 175.10 174.84 1b97 s TYR 138 N 0.05 0.81 -0.15 5.22 -0.85 -1.04 -0.74 117.35 120.66 1b97 s TYR 138 Ca -0.07 -0.50 -0.17 0.00 -0.52 0.00 0.00 57.07 55.81 1b97 s TYR 138 Cb -0.14 -0.47 -0.04 0.00 0.38 0.00 0.00 41.96 41.68 1b97 s TYR 138 CO 0.04 -0.05 0.44 0.99 -1.52 0.00 0.00 175.55 175.45 1b97 s THR 139 N -1.40 5.20 0.44 -3.49 2.01 -0.33 -0.52 115.64 117.55 1b97 s THR 139 Ca -0.08 0.84 -0.24 0.00 0.31 0.00 0.00 61.69 62.52 1b97 s THR 139 Cb -0.10 -3.77 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 1b97 s THR 139 CO 0.01 0.30 1.22 -0.13 -0.69 0.00 0.00 174.62 175.33 1b97 s ARG 140 N 0.88 3.82 -0.11 4.92 0.52 -0.75 -1.43 118.95 126.80 1b97 s ARG 140 Ca 0.23 1.93 -0.02 0.00 -0.52 0.00 0.00 55.73 57.35 1b97 s ARG 140 Cb -0.15 -2.55 0.04 0.00 0.52 0.00 0.00 34.95 32.81 1b97 s ARG 140 CO 0.09 -0.54 0.02 0.08 0.02 0.00 0.00 175.30 174.96 1b97 s VAL 141 N -1.41 0.37 0.29 3.52 1.01 -0.89 -4.82 120.40 118.47 1b97 s VAL 141 Ca 0.61 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 1b97 s VAL 141 Cb -0.33 -0.67 -0.14 0.00 0.00 0.00 0.00 36.38 35.25 1b97 s VAL 141 CO 0.40 0.08 1.14 0.00 0.00 0.00 0.00 175.10 176.72 1b97 n ALA 142 N 5.13 0.30 -1.77 5.51 0.00 -1.26 -4.45 120.51 123.97 1b97 n ALA 142 Ca -0.07 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.42 1b97 n ALA 142 Cb 0.49 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.81 1b97 n ALA 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1b97 s THR 143 N -0.92 3.76 0.35 0.00 2.01 -1.26 -4.94 115.64 114.65 1b97 s THR 143 Ca 0.60 1.03 0.05 0.00 0.31 0.00 0.00 61.69 63.68 1b97 s THR 143 Cb -0.67 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1b97 s THR 143 CO 0.59 -0.30 0.19 -2.11 -0.69 0.00 0.00 174.62 172.30 1b97 n ARG 144 N -1.25 0.50 -0.22 4.92 1.85 -1.26 -5.06 116.66 116.15 1b97 n ARG 144 Ca 0.09 -3.19 0.02 0.00 -1.00 0.00 0.00 57.85 53.77 1b97 n ARG 144 Cb 0.52 2.10 0.13 0.00 -1.05 0.00 0.00 32.46 34.16 1b97 n ARG 144 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1b97 h LYS 145 N 0.00 0.30 0.00 2.89 3.64 -2.01 -2.39 116.57 119.00 1b97 h LYS 145 Ca -0.26 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1b97 h LYS 145 Cb 1.13 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1b97 h LYS 145 CO 0.41 0.20 0.00 -1.13 -2.27 0.00 0.00 179.45 176.66 1b97 n SER 146 N -5.09 0.00 0.04 4.20 3.41 -1.26 -1.53 113.62 113.39 1b97 n SER 146 Ca 0.10 -0.33 0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1b97 n SER 146 Cb 0.35 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.32 1b97 n SER 146 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1b97 n SER 147 N -1.02 0.63 -1.57 4.04 3.41 -0.90 -4.34 113.62 113.87 1b97 n SER 147 Ca 0.08 -0.07 0.02 0.00 -0.26 0.00 0.00 58.87 58.64 1b97 n SER 147 Cb 0.04 0.67 0.27 0.00 -0.26 0.00 0.00 64.21 64.93 1b97 n SER 147 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b97 n LEU 148 N -2.08 4.63 -4.48 1.04 4.77 -0.58 -4.53 117.00 115.77 1b97 n LEU 148 Ca 0.02 -2.37 -0.23 0.00 -0.03 0.00 0.00 56.01 53.40 1b97 n LEU 148 Cb 0.46 -0.65 -0.11 0.00 -2.33 0.00 0.00 43.42 40.79 1b97 n LEU 148 CO 0.40 0.58 -0.30 -1.59 -1.33 0.00 0.00 177.39 175.14 1b97 s LYS 149 N -2.29 1.69 0.42 3.23 -2.85 -1.26 -5.13 119.74 113.55 1b97 s LYS 149 Ca 0.40 -1.92 -0.01 0.00 -1.00 0.00 0.00 55.97 53.44 1b97 s LYS 149 Cb 0.31 -1.12 -0.03 0.00 -2.06 0.00 0.00 37.83 34.93 1b97 s LYS 149 CO 0.11 -0.09 0.66 -0.08 0.10 0.00 0.00 175.35 176.05 1b97 s THR 150 N -3.09 4.73 0.11 3.79 -1.32 -1.26 -4.44 115.64 114.15 1b97 s THR 150 Ca 0.34 -0.26 0.03 0.00 -1.21 0.00 0.00 61.69 60.59 1b97 s THR 150 Cb 0.07 -3.76 -0.04 0.00 -1.51 0.00 0.00 72.50 67.27 1b97 s THR 150 CO 0.15 -0.59 -0.08 -0.31 -2.21 0.00 0.00 174.62 171.58 1b97 s TYR 151 N -2.53 1.00 0.37 9.09 2.02 0.18 -4.98 117.35 122.50 1b97 s TYR 151 Ca 0.45 -0.80 0.07 0.00 -0.37 0.00 0.00 57.07 56.42 1b97 s TYR 151 Cb -0.10 -0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 40.90 1b97 s TYR 151 CO 0.39 -0.06 0.41 -0.80 -1.57 0.00 0.00 175.55 173.92 1b97 s ASN 152 N -2.86 5.46 0.33 2.29 0.01 -1.26 -0.51 114.94 118.40 1b97 s ASN 152 Ca 0.10 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.79 1b97 s ASN 152 Cb 0.02 -0.87 0.57 0.00 0.41 0.00 0.00 41.25 41.38 1b97 s ASN 152 CO -0.02 -0.53 1.97 0.40 -1.51 0.00 0.00 177.10 177.41 1b97 h ILE 153 N 0.99 1.14 0.00 0.60 2.04 -1.98 -1.92 117.51 118.38 1b97 h ILE 153 Ca -0.43 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1b97 h ILE 153 Cb 1.26 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1b97 h ILE 153 CO 0.54 0.17 0.00 -0.46 0.00 0.00 0.00 178.15 178.41 1b97 n ASN 154 N -4.44 0.00 -0.88 1.72 0.23 -1.26 -2.00 115.26 108.63 1b97 n ASN 154 Ca 0.09 0.19 0.04 0.00 -0.53 0.00 0.00 54.58 54.37 1b97 n ASN 154 Cb 0.09 -0.32 0.22 0.00 -2.08 0.00 0.00 39.78 37.70 1b97 n ASN 154 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1b97 n GLU 155 N -1.32 2.33 -0.08 -3.83 1.02 -0.72 -4.84 120.64 113.20 1b97 n GLU 155 Ca 0.05 -2.93 -0.07 0.00 -0.02 0.00 0.00 57.16 54.19 1b97 n GLU 155 Cb 0.10 -1.79 -0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1b97 n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1b97 h LEU 156 N 1.29 -0.57 0.00 -4.62 3.38 -1.50 -2.22 115.31 111.07 1b97 h LEU 156 Ca 0.08 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1b97 h LEU 156 Cb 1.46 0.30 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1b97 h LEU 156 CO 0.25 -0.21 0.00 0.59 0.09 0.00 0.00 178.44 179.16 1b97 n ASN 157 N -5.34 0.00 0.00 -0.43 4.13 -1.26 -3.04 115.26 109.32 1b97 n ASN 157 Ca 0.00 -0.19 0.11 0.00 1.68 0.00 0.00 54.58 56.19 1b97 n ASN 157 Cb 0.25 -0.20 0.02 0.00 -1.54 0.00 0.00 39.78 38.31 1b97 n ASN 157 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1b97 n GLU 158 N -1.20 0.07 -2.28 3.52 1.02 -0.84 -4.95 120.64 115.99 1b97 n GLU 158 Ca 0.11 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 1b97 n GLU 158 Cb 0.13 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1b97 n GLU 158 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b97 s ILE 159 N -3.05 3.84 0.34 -3.67 1.01 -1.17 -4.99 121.20 113.50 1b97 s ILE 159 Ca 0.08 1.21 -0.28 0.00 0.00 0.00 0.00 60.65 61.65 1b97 s ILE 159 Cb 0.16 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.76 1b97 s ILE 159 CO 0.80 -0.01 1.25 -2.16 0.00 0.00 0.00 174.94 174.83 1b97 s PRO 160 N 2.40 4.33 0.04 2.79 0.04 -1.26 -5.03 135.00 138.31 1b97 s PRO 160 Ca 0.62 2.08 0.05 0.00 0.04 0.00 0.00 61.00 63.79 1b97 s PRO 160 Cb -0.30 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1b97 s PRO 160 CO 0.25 -0.16 -0.07 0.15 0.04 0.00 0.00 177.00 177.21 1b97 s LYS 161 N -1.84 2.42 -0.05 4.56 1.02 -1.26 -4.71 119.74 119.88 1b97 s LYS 161 Ca 0.50 -0.83 0.04 0.00 0.02 0.00 0.00 55.97 55.70 1b97 s LYS 161 Cb -0.37 -2.44 0.21 0.00 -0.52 0.00 0.00 37.83 34.71 1b97 s LYS 161 CO 0.48 0.57 0.92 -0.35 -0.92 0.00 0.00 175.35 176.05 1b97 n PRO 162 N 1.20 1.91 -4.04 -1.68 -0.04 -1.26 -4.85 135.00 126.24 1b97 n PRO 162 Ca -0.14 -0.82 -0.10 0.00 -0.04 0.00 0.00 63.50 62.39 1b97 n PRO 162 Cb 0.52 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 1b97 n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1b97 s TYR 163 N -1.54 0.54 0.13 0.54 -0.85 -1.26 -2.09 117.35 112.81 1b97 s TYR 163 Ca 0.14 -0.87 -0.23 0.00 -0.52 0.00 0.00 57.07 55.59 1b97 s TYR 163 Cb 0.10 0.05 0.07 0.00 0.38 0.00 0.00 41.96 42.56 1b97 s TYR 163 CO 0.06 -0.95 0.58 -1.59 -1.52 0.00 0.00 175.55 172.13 1b97 s LYS 164 N -3.97 1.23 -1.14 -3.49 -2.85 -0.51 -4.84 119.74 104.17 1b97 s LYS 164 Ca 0.26 -0.41 -0.14 0.00 -1.00 0.00 0.00 55.97 54.68 1b97 s LYS 164 Cb 0.01 0.56 -0.03 0.00 -2.06 0.00 0.00 37.83 36.31 1b97 s LYS 164 CO 0.10 -0.51 0.81 0.41 0.10 0.00 0.00 175.35 176.26 1b97 n GLY 165 N -0.20 -0.96 3.73 0.59 0.00 -1.26 -1.19 105.19 105.91 1b97 n GLY 165 Ca -0.17 0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1b97 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b97 s VAL 166 N -3.47 4.19 0.17 1.61 1.01 -1.26 -4.15 120.40 118.49 1b97 s VAL 166 Ca 0.41 1.77 0.09 0.00 0.00 0.00 0.00 61.98 64.25 1b97 s VAL 166 Cb -0.12 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1b97 s VAL 166 CO 0.82 0.24 -0.20 -0.54 0.00 0.00 0.00 175.10 175.43 1b97 s LYS 167 N 0.15 1.32 0.00 2.72 1.02 0.08 -4.98 119.74 120.06 1b97 s LYS 167 Ca 0.51 -1.42 0.01 0.00 0.02 0.00 0.00 55.97 55.09 1b97 s LYS 167 Cb -0.27 -1.46 -0.01 0.00 -0.52 0.00 0.00 37.83 35.58 1b97 s LYS 167 CO 0.32 0.30 -0.04 0.54 -0.92 0.00 0.00 175.35 175.55 1b97 s VAL 168 N -1.89 0.27 0.24 3.17 0.11 -1.26 -1.60 120.40 119.43 1b97 s VAL 168 Ca 0.16 -0.29 0.04 0.00 -2.93 0.00 0.00 61.98 58.96 1b97 s VAL 168 Cb -0.07 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 1b97 s VAL 168 CO 0.07 -0.02 0.00 0.72 -3.33 0.00 0.00 175.10 172.54 1b97 s PHE 169 N -0.32 1.60 -0.11 1.54 -0.12 -0.49 -4.92 117.98 115.15 1b97 s PHE 169 Ca -0.01 -0.92 -0.02 0.00 -0.05 0.00 0.00 56.93 55.93 1b97 s PHE 169 Cb -0.03 -0.94 0.04 0.00 -0.63 0.00 0.00 43.02 41.46 1b97 s PHE 169 CO -0.00 -0.03 0.01 -1.17 -0.05 0.00 0.00 175.22 173.97 1b97 s LEU 170 N -3.32 0.82 0.09 -1.99 0.20 -1.26 -1.83 118.68 111.39 1b97 s LEU 170 Ca 0.29 -0.34 -0.12 0.00 0.69 0.00 0.00 54.13 54.65 1b97 s LEU 170 Cb 0.06 -0.52 0.01 0.00 -0.43 0.00 0.00 46.19 45.31 1b97 s LEU 170 CO 0.09 -0.22 0.28 -1.58 -0.29 0.00 0.00 176.35 174.63 1b97 s GLN 171 N 1.91 0.90 0.43 1.98 2.00 -0.69 -4.98 119.66 121.20 1b97 s GLN 171 Ca 0.03 -0.78 -0.24 0.00 -2.00 0.00 0.00 55.36 52.38 1b97 s GLN 171 Cb -0.14 0.38 -0.08 0.00 0.80 0.00 0.00 33.01 33.97 1b97 s GLN 171 CO -0.06 -0.31 1.16 -0.51 -0.50 0.00 0.00 175.29 175.07 1b97 s ASP 172 N -2.64 6.34 0.16 6.67 1.01 -1.26 -0.46 116.67 126.49 1b97 s ASP 172 Ca 0.02 2.31 -0.14 0.00 0.71 0.00 0.00 52.55 55.45 1b97 s ASP 172 Cb 0.03 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.39 1b97 s ASP 172 CO -0.09 -0.80 1.76 0.50 0.21 0.00 0.00 175.17 176.75 1b97 h LYS 173 N 2.31 0.70 -0.25 8.23 3.64 -1.31 -2.52 116.57 127.37 1b97 h LYS 173 Ca -0.49 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 1b97 h LYS 173 Cb 1.24 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1b97 h LYS 173 CO 0.61 0.55 0.08 0.11 -2.27 0.00 0.00 179.45 178.53 1b97 h TRP 174 N 0.66 0.35 -0.38 1.91 5.08 -1.92 -2.41 115.95 119.24 1b97 h TRP 174 Ca 0.17 -0.01 -0.11 0.00 1.08 0.00 0.00 58.89 60.02 1b97 h TRP 174 Cb 0.06 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.09 1b97 h TRP 174 CO -0.02 0.30 -0.22 0.28 -1.28 0.00 0.00 178.44 177.51 1b97 h VAL 175 N 0.36 1.27 -0.05 0.12 2.07 -1.84 -3.16 116.25 115.02 1b97 h VAL 175 Ca 0.09 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1b97 h VAL 175 Cb 0.12 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1b97 h VAL 175 CO -0.01 0.44 0.00 2.30 0.02 0.00 0.00 177.57 180.33 1b97 n ILE 176 N -4.11 0.03 -2.04 4.57 -5.35 -1.12 -2.90 119.36 108.44 1b97 n ILE 176 Ca 0.00 -0.47 -0.38 0.00 -0.27 0.00 0.00 62.75 61.63 1b97 n ILE 176 Cb 0.43 1.31 0.01 0.00 -1.74 0.00 0.00 39.64 39.65 1b97 n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b97 s ALA 177 N -1.97 3.05 0.00 -1.28 0.00 -0.92 -0.95 121.76 119.68 1b97 s ALA 177 Ca 0.30 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1b97 s ALA 177 Cb 0.20 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1b97 s ALA 177 CO 0.31 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1b97 n GLY 178 N 0.61 3.15 0.37 0.00 0.00 0.76 -3.74 105.19 106.35 1b97 n GLY 178 Ca 0.07 -2.14 0.04 0.00 0.00 0.00 0.00 46.02 43.98 1b97 n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b97 n ASP 179 N -1.77 2.17 -4.33 1.61 5.75 -1.26 -4.75 116.55 113.96 1b97 n ASP 179 Ca 0.00 -1.68 -0.31 0.00 -0.01 0.00 0.00 54.79 52.79 1b97 n ASP 179 Cb 0.00 -0.08 -0.15 0.00 -1.03 0.00 0.00 41.12 39.85 1b97 n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1b97 s LEU 180 N -0.83 2.12 0.50 -2.12 1.43 -1.26 -4.57 118.68 113.95 1b97 s LEU 180 Ca 0.13 -0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 52.51 1b97 s LEU 180 Cb 0.07 -1.34 -0.08 0.00 0.03 0.00 0.00 46.19 44.88 1b97 s LEU 180 CO 0.10 0.30 1.16 0.00 0.23 0.00 0.00 176.35 178.14 1b97 n ALA 181 N 2.24 0.83 0.27 4.21 0.00 -1.26 -2.62 120.51 124.19 1b97 n ALA 181 Ca -0.16 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1b97 n ALA 181 Cb 0.51 -2.21 0.06 0.00 0.00 0.00 0.00 19.45 17.82 1b97 n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1b97 h GLY 182 N 1.41 0.00 -3.12 0.00 0.00 -1.17 -3.41 103.07 96.79 1b97 h GLY 182 Ca -0.48 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1b97 h GLY 182 CO 0.56 0.00 0.12 -1.35 0.00 0.00 0.00 176.54 175.87 1b97 s SER 183 N -4.99 -0.47 0.00 0.19 1.04 -1.23 -4.87 113.70 103.36 1b97 s SER 183 Ca 0.02 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1b97 s SER 183 Cb 0.11 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1b97 s SER 183 CO 0.76 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1b97 n GLY 184 N -0.22 0.25 0.30 7.32 0.00 -1.26 -3.44 105.19 108.15 1b97 n GLY 184 Ca -0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.02 1b97 n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1b97 h ASN 185 N 0.00 0.00 -0.47 1.61 7.08 -2.00 -0.99 115.58 120.80 1b97 h ASN 185 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1b97 h ASN 185 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1b97 h ASN 185 CO 0.00 0.03 0.00 0.35 -2.08 0.00 0.00 177.43 175.73 1b97 n THR 186 N -3.49 2.38 -2.86 6.14 -2.24 -1.26 -5.01 114.28 107.93 1b97 n THR 186 Ca -0.02 -1.51 -0.10 0.00 -2.27 0.00 0.00 64.05 60.15 1b97 n THR 186 Cb 0.13 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1b97 n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1b97 n THR 187 N 0.33 -1.18 -4.05 4.28 -2.24 -0.38 -4.80 114.28 106.24 1b97 n THR 187 Ca 0.25 -0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.75 1b97 n THR 187 Cb 1.01 -1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.13 1b97 n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1b97 s ASN 188 N -2.17 5.62 0.34 3.42 0.02 -1.22 -1.70 114.94 119.25 1b97 s ASN 188 Ca 0.01 -0.05 -0.27 0.00 -1.02 0.00 0.00 52.86 51.53 1b97 s ASN 188 Cb -0.00 -1.51 -0.09 0.00 0.02 0.00 0.00 41.25 39.66 1b97 s ASN 188 CO 0.32 0.10 1.18 -0.63 0.02 0.00 0.00 177.10 178.09 1b97 s ILE 189 N -1.63 3.17 -0.11 0.60 1.01 0.61 -0.97 121.20 123.88 1b97 s ILE 189 Ca 0.31 1.09 -0.06 0.00 0.00 0.00 0.00 60.65 61.99 1b97 s ILE 189 Cb -0.11 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1b97 s ILE 189 CO 0.24 0.19 0.12 -0.83 0.00 0.00 0.00 174.94 174.66 1b97 s GLY 190 N -0.91 2.11 0.86 6.18 0.00 -1.08 0.68 107.32 115.17 1b97 s GLY 190 Ca 0.51 -0.67 -0.12 0.00 0.00 0.00 0.00 44.72 44.44 1b97 s GLY 190 CO 0.43 -0.42 1.21 -1.35 0.00 0.00 0.00 173.10 172.96 1b97 s SER 191 N -1.03 3.80 0.82 1.64 1.04 -0.73 -0.17 113.70 119.07 1b97 s SER 191 Ca 0.15 0.31 -0.12 0.00 0.48 0.00 0.00 55.95 56.77 1b97 s SER 191 Cb -0.12 -0.57 0.09 0.00 0.10 0.00 0.00 66.02 65.52 1b97 s SER 191 CO 0.04 -2.29 1.15 0.27 0.98 0.00 0.00 173.24 173.39 1b97 s ILE 192 N -3.64 2.46 -0.54 -1.02 -4.36 -0.13 -4.04 121.20 109.94 1b97 s ILE 192 Ca 0.69 0.17 -0.07 0.00 -0.26 0.00 0.00 60.65 61.18 1b97 s ILE 192 Cb -0.06 -2.46 0.14 0.00 1.25 0.00 0.00 42.46 41.32 1b97 s ILE 192 CO 0.50 -0.17 0.39 -2.28 0.24 0.00 0.00 174.94 173.61 1b97 s HIS 193 N -2.51 3.49 0.28 1.37 5.65 -1.26 -4.51 115.29 117.80 1b97 s HIS 193 Ca 0.68 -2.24 -0.08 0.00 0.25 0.00 0.00 55.06 53.67 1b97 s HIS 193 Cb -0.23 -3.39 0.03 0.00 -1.18 0.00 0.00 32.58 27.81 1b97 s HIS 193 CO 0.53 -0.95 0.51 0.00 -0.65 0.00 0.00 174.74 174.18 1b97 n ALA 194 N 4.34 -0.96 -1.70 1.58 0.00 -0.86 -4.88 120.51 118.04 1b97 n ALA 194 Ca -0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 53.44 52.12 1b97 n ALA 194 Cb 0.41 0.81 0.04 0.00 0.00 0.00 0.00 19.45 20.70 1b97 n ALA 194 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1b97 s HIS 195 N -3.85 3.32 0.26 0.00 3.76 -1.26 -0.89 115.29 116.62 1b97 s HIS 195 Ca 0.15 1.35 -0.02 0.00 -0.15 0.00 0.00 55.06 56.39 1b97 s HIS 195 Cb -0.03 -2.83 0.53 0.00 1.11 0.00 0.00 32.58 31.37 1b97 s HIS 195 CO 0.11 -1.03 1.72 -0.92 -0.85 0.00 0.00 174.74 173.77 1b97 h TYR 196 N -0.57 0.57 -0.64 1.40 3.20 -1.90 -1.52 116.97 117.51 1b97 h TYR 196 Ca -0.44 0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.54 1b97 h TYR 196 Cb 1.20 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 1b97 h TYR 196 CO 0.63 0.05 0.42 1.57 -1.64 0.00 0.00 178.16 179.19 1b97 h LYS 197 N 0.46 0.56 -0.40 1.82 2.10 -2.00 -1.08 116.57 118.03 1b97 h LYS 197 Ca 0.46 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 59.05 1b97 h LYS 197 Cb 0.74 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 1b97 h LYS 197 CO -0.43 0.37 0.15 -0.44 -2.00 0.00 0.00 179.45 177.10 1b97 h ASP 198 N 0.58 0.51 -0.19 7.07 3.32 -1.64 -0.81 116.42 125.25 1b97 h ASP 198 Ca 0.28 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.13 1b97 h ASP 198 Cb 0.36 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1b97 h ASP 198 CO -0.09 0.48 -0.47 -0.26 -1.72 0.00 0.00 179.24 177.18 1b97 h PHE 199 N 0.57 0.84 -0.29 4.55 -1.00 -1.23 -1.45 116.94 118.93 1b97 h PHE 199 Ca 0.14 -0.32 -0.01 0.00 2.81 0.00 0.00 57.97 60.58 1b97 h PHE 199 Cb 0.13 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 1b97 h PHE 199 CO 0.01 1.10 0.12 0.28 -1.61 0.00 0.00 178.31 178.21 1b97 h VAL 200 N 0.35 1.17 0.00 -0.55 2.07 -1.10 -2.90 116.25 115.29 1b97 h VAL 200 Ca -0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1b97 h VAL 200 Cb 1.08 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1b97 h VAL 200 CO 0.10 0.17 0.00 -0.33 0.02 0.00 0.00 177.57 177.54 1b97 h GLU 201 N 0.32 0.00 -1.24 1.57 5.08 -1.22 -3.48 114.58 115.62 1b97 h GLU 201 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1b97 h GLU 201 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1b97 h GLU 201 CO -0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.41 1b97 n GLY 202 N 0.68 0.82 2.66 -3.84 0.00 -0.64 -4.98 105.19 99.89 1b97 n GLY 202 Ca 0.03 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1b97 n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b97 n LYS 203 N -0.62 4.21 -0.19 1.61 4.76 -0.64 -4.90 118.16 122.39 1b97 n LYS 203 Ca 0.00 -3.55 0.00 0.00 -2.87 0.00 0.00 58.31 51.89 1b97 n LYS 203 Cb 0.49 -2.74 0.00 0.00 -1.84 0.00 0.00 35.03 30.94 1b97 n LYS 203 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b97 n GLY 204 N 2.11 -0.27 0.00 0.72 0.00 -1.14 -4.98 105.19 101.64 1b97 n GLY 204 Ca 0.52 -1.77 0.06 0.00 0.00 0.00 0.00 46.02 44.82 1b97 n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b97 n ILE 205 N -1.28 0.00 -3.07 -0.61 -6.64 -1.25 -5.01 119.36 101.51 1b97 n ILE 205 Ca 0.00 -0.26 -0.35 0.00 -1.77 0.00 0.00 62.75 60.37 1b97 n ILE 205 Cb 0.00 0.46 -0.06 0.00 -1.44 0.00 0.00 39.64 38.60 1b97 n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 1b97 s PHE 206 N -2.62 3.59 -0.19 4.28 0.08 -1.26 -5.00 117.98 116.86 1b97 s PHE 206 Ca -0.02 1.40 0.18 0.00 0.12 0.00 0.00 56.93 58.61 1b97 s PHE 206 Cb 0.08 -2.64 0.01 0.00 -0.57 0.00 0.00 43.02 39.91 1b97 s PHE 206 CO 0.50 0.26 1.17 -0.44 -0.10 0.00 0.00 175.22 176.61 1b97 h ASP 207 N 3.12 0.00 -5.20 1.36 3.32 -1.96 -3.48 116.42 113.58 1b97 h ASP 207 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 1b97 h ASP 207 Cb 1.19 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 1b97 h ASP 207 CO 0.65 0.39 -0.10 -0.94 -1.72 0.00 0.00 179.24 177.52 1b97 s SER 208 N -6.01 -0.12 0.31 6.45 1.04 -1.26 -5.03 113.70 109.09 1b97 s SER 208 Ca 0.01 -0.80 0.13 0.00 0.48 0.00 0.00 55.95 55.77 1b97 s SER 208 Cb 0.08 0.56 0.50 0.00 0.10 0.00 0.00 66.02 67.26 1b97 s SER 208 CO 0.77 -1.09 1.68 -0.08 0.98 0.00 0.00 173.24 175.50 1b97 h GLU 209 N 2.28 0.00 -0.74 4.02 4.81 -1.93 -2.45 114.58 120.57 1b97 h GLU 209 Ca -0.27 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1b97 h GLU 209 Cb 1.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1b97 h GLU 209 CO 0.38 0.52 0.28 -0.44 -0.73 0.00 0.00 179.01 179.01 1b97 h ASP 210 N 0.00 1.04 -0.47 1.04 3.32 -1.99 -1.69 116.42 117.68 1b97 h ASP 210 Ca -0.01 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 1b97 h ASP 210 Cb 0.98 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1b97 h ASP 210 CO 0.07 0.95 -0.18 -0.08 -1.72 0.00 0.00 179.24 178.27 1b97 h GLU 211 N 1.08 0.95 0.13 3.56 4.81 -1.90 -1.26 114.58 121.97 1b97 h GLU 211 Ca 0.25 -0.40 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1b97 h GLU 211 Cb 0.24 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1b97 h GLU 211 CO -0.02 1.06 -0.22 0.35 -0.73 0.00 0.00 179.01 179.46 1b97 h PHE 212 N 0.80 -0.59 -0.56 0.92 3.57 -1.23 -0.75 116.94 119.10 1b97 h PHE 212 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1b97 h PHE 212 Cb 0.75 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1b97 h PHE 212 CO 0.05 -0.32 0.31 -0.07 -2.23 0.00 0.00 178.31 176.05 1b97 h LEU 213 N -0.43 0.70 -0.79 0.59 3.38 -1.27 -2.01 115.31 115.47 1b97 h LEU 213 Ca 0.02 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1b97 h LEU 213 Cb 0.44 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1b97 h LEU 213 CO -0.11 0.59 0.08 -0.78 0.09 0.00 0.00 178.44 178.31 1b97 h ASP 214 N 0.75 0.95 0.35 -0.43 3.58 -1.08 -0.17 116.42 120.37 1b97 h ASP 214 Ca 0.20 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 1b97 h ASP 214 Cb 0.04 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1b97 h ASP 214 CO -0.03 0.96 -0.17 0.22 -2.88 0.00 0.00 179.24 177.34 1b97 h TYR 215 N 0.93 -0.43 0.00 0.28 5.03 -0.90 -2.78 116.97 119.09 1b97 h TYR 215 Ca 0.19 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.43 1b97 h TYR 215 Cb 0.43 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 1b97 h TYR 215 CO 0.03 -0.24 -0.26 -1.49 -1.32 0.00 0.00 178.16 174.88 1b97 h TRP 216 N -0.51 0.00 0.00 -3.82 4.06 -1.31 -2.03 115.95 112.34 1b97 h TRP 216 Ca -0.05 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 1b97 h TRP 216 Cb 0.39 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1b97 h TRP 216 CO -0.04 0.26 -0.11 0.00 -3.56 0.00 0.00 178.44 174.99 1b97 h ARG 217 N 0.00 0.00 -0.10 0.49 3.08 -0.99 -3.21 114.38 113.65 1b97 h ARG 217 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b97 h ARG 217 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1b97 h ARG 217 CO 0.03 0.11 0.00 0.09 -1.07 0.00 0.00 179.97 179.13 1b97 n ASN 218 N -3.21 2.32 -4.68 7.04 3.02 -1.06 -5.01 115.26 113.68 1b97 n ASN 218 Ca 0.01 -2.11 -0.43 0.00 -0.03 0.00 0.00 54.58 52.03 1b97 n ASN 218 Cb 0.41 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 1b97 n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b97 s TYR 219 N -1.19 3.20 0.52 3.10 5.04 -0.78 -4.98 117.35 122.26 1b97 s TYR 219 Ca 0.09 1.27 -0.18 0.00 -2.44 0.00 0.00 57.07 55.82 1b97 s TYR 219 Cb 0.06 -3.38 -0.07 0.00 0.35 0.00 0.00 41.96 38.92 1b97 s TYR 219 CO 0.04 -1.09 1.01 -1.21 -1.34 0.00 0.00 175.55 172.96 1b97 s GLU 220 N 2.51 3.79 0.28 4.97 0.41 -1.26 -5.00 118.70 124.40 1b97 s GLU 220 Ca 0.53 1.14 0.03 0.00 -0.41 0.00 0.00 54.97 56.26 1b97 s GLU 220 Cb -0.22 -2.10 0.42 0.00 -1.78 0.00 0.00 34.13 30.45 1b97 s GLU 220 CO 0.18 -0.42 1.72 0.00 -0.49 0.00 0.00 175.26 176.26 1b97 h ARG 221 N 1.10 0.46 -5.84 1.61 3.08 -1.96 -3.45 114.38 109.38 1b97 h ARG 221 Ca -0.48 -0.17 -0.57 0.00 0.07 0.00 0.00 59.98 58.82 1b97 h ARG 221 Cb 1.20 -0.03 -0.14 0.00 0.08 0.00 0.00 29.97 31.09 1b97 h ARG 221 CO 0.60 0.69 -0.69 0.95 -1.07 0.00 0.00 179.97 180.44 1b97 s THR 222 N -4.48 2.09 0.36 2.04 -4.23 -1.26 -5.03 115.64 105.13 1b97 s THR 222 Ca -0.07 -2.22 0.05 0.00 -1.18 0.00 0.00 61.69 58.28 1b97 s THR 222 Cb 0.14 -2.51 0.19 0.00 1.34 0.00 0.00 72.50 71.66 1b97 s THR 222 CO 0.79 -0.28 1.93 0.28 -0.54 0.00 0.00 174.62 176.80 1b97 h SER 223 N 2.16 0.49 -0.60 3.99 0.02 -1.98 -1.31 113.55 116.32 1b97 h SER 223 Ca -0.41 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 1b97 h SER 223 Cb 1.25 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1b97 h SER 223 CO 0.67 0.50 0.32 -0.61 -1.14 0.00 0.00 176.83 176.57 1b97 h GLN 224 N 0.53 0.87 0.01 3.45 -0.00 -1.99 -1.51 115.11 116.47 1b97 h GLN 224 Ca 0.12 -0.10 -0.26 0.00 -0.00 0.00 0.00 58.65 58.41 1b97 h GLN 224 Cb 0.20 -0.17 -0.04 0.00 0.00 0.00 0.00 27.48 27.47 1b97 h GLN 224 CO -0.00 0.65 -1.45 -0.07 0.00 0.00 0.00 178.83 177.96 1b97 h LEU 225 N 0.87 0.02 -0.77 -2.39 3.38 -1.84 -3.34 115.31 111.24 1b97 h LEU 225 Ca 0.22 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1b97 h LEU 225 Cb 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1b97 h LEU 225 CO -0.03 1.03 -0.12 0.03 0.09 0.00 0.00 178.44 179.43 1b97 h ARG 226 N 0.00 0.00 -0.83 1.13 3.08 -1.05 -3.19 114.38 113.52 1b97 h ARG 226 Ca -0.19 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.97 1b97 h ARG 226 Cb 1.93 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.92 1b97 h ARG 226 CO 0.10 0.12 0.54 -0.91 -1.07 0.00 0.00 179.97 178.76 1b97 h ASN 227 N 0.00 0.70 -0.45 7.04 2.35 -1.39 -1.92 115.58 121.90 1b97 h ASN 227 Ca -0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1b97 h ASN 227 Cb 0.82 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1b97 h ASN 227 CO 0.02 0.41 0.00 -0.90 -1.65 0.00 0.00 177.43 175.30 1b97 n ASP 228 N -4.52 3.30 0.00 5.81 5.75 -1.20 -4.82 116.55 120.87 1b97 n ASP 228 Ca 0.14 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1b97 n ASP 228 Cb 0.34 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1b97 n ASP 228 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1b97 n LYS 229 N 1.35 0.00 -3.61 0.11 4.81 -0.78 -5.09 118.16 114.95 1b97 n LYS 229 Ca 0.20 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.49 1b97 n LYS 229 Cb 0.56 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.54 1b97 n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1b97 s TYR 230 N 0.00 -0.75 -0.02 5.64 -0.85 -0.84 -4.82 117.35 115.71 1b97 s TYR 230 Ca 0.00 1.75 0.08 0.00 -0.52 0.00 0.00 57.07 58.38 1b97 s TYR 230 Cb 0.00 0.30 -0.13 0.00 0.38 0.00 0.00 41.96 42.51 1b97 s TYR 230 CO 0.00 -0.41 0.19 0.09 -1.52 0.00 0.00 175.55 173.89 1b97 n ASN 231 N 2.34 3.03 -3.33 -0.18 3.02 -1.26 -4.74 115.26 114.15 1b97 n ASN 231 Ca -0.15 -0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.26 1b97 n ASN 231 Cb 0.55 1.38 -0.03 0.00 -0.61 0.00 0.00 39.78 41.07 1b97 n ASN 231 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1b97 s ASN 232 N -2.95 0.59 0.24 6.41 2.20 -1.26 -4.74 114.94 115.43 1b97 s ASN 232 Ca -0.03 -1.33 -0.04 0.00 -0.94 0.00 0.00 52.86 50.51 1b97 s ASN 232 Cb 0.05 0.68 0.27 0.00 -2.00 0.00 0.00 41.25 40.26 1b97 s ASN 232 CO 0.35 -1.33 1.77 -0.29 -2.94 0.00 0.00 177.10 174.66 1b97 h ILE 233 N 2.12 1.24 -0.08 0.54 6.09 -1.98 -1.09 117.51 124.36 1b97 h ILE 233 Ca -0.29 -0.90 0.00 0.00 -1.37 0.00 0.00 64.86 62.30 1b97 h ILE 233 Cb 1.24 0.63 -0.00 0.00 0.47 0.00 0.00 36.82 39.16 1b97 h ILE 233 CO 0.39 0.34 0.05 0.28 -3.07 0.00 0.00 178.15 176.13 1b97 h SER 234 N 0.92 0.08 -0.52 2.19 0.02 -1.99 -0.51 113.55 113.73 1b97 h SER 234 Ca 0.19 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1b97 h SER 234 Cb 0.34 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1b97 h SER 234 CO 0.00 0.06 0.19 -0.33 -1.14 0.00 0.00 176.83 175.61 1b97 h GLU 235 N 0.10 0.84 -0.34 3.45 5.08 -1.93 -1.87 114.58 119.91 1b97 h GLU 235 Ca 0.03 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1b97 h GLU 235 Cb -0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1b97 h GLU 235 CO -0.01 0.72 0.00 -0.92 -1.00 0.00 0.00 179.01 177.80 1b97 h TYR 236 N 0.82 0.65 -0.10 4.33 3.20 -0.81 -1.04 116.97 124.02 1b97 h TYR 236 Ca 0.19 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1b97 h TYR 236 Cb 0.22 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1b97 h TYR 236 CO 0.01 0.71 -0.24 0.00 -1.64 0.00 0.00 178.16 177.00 1b97 h ARG 237 N 0.41 0.17 -0.26 1.82 3.08 -0.81 -0.76 114.38 118.03 1b97 h ARG 237 Ca 0.10 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.91 1b97 h ARG 237 Cb 0.45 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1b97 h ARG 237 CO 0.02 0.40 -0.56 -0.91 -1.07 0.00 0.00 179.97 177.85 1b97 h ASN 238 N 0.15 0.90 -0.56 7.04 2.35 -1.22 -1.30 115.58 122.95 1b97 h ASN 238 Ca 0.03 -0.49 0.02 0.00 -0.55 0.00 0.00 56.30 55.31 1b97 h ASN 238 Cb 0.51 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1b97 h ASN 238 CO 0.04 1.27 0.35 -0.25 -1.65 0.00 0.00 177.43 177.19 1b97 h TRP 239 N 0.62 0.65 -0.47 1.19 7.01 -0.71 -1.34 115.95 122.90 1b97 h TRP 239 Ca 0.01 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1b97 h TRP 239 Cb 1.15 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.98 1b97 h TRP 239 CO 0.07 0.38 0.17 0.82 -2.79 0.00 0.00 178.44 177.08 1b97 h ILE 240 N 0.69 1.22 -0.89 2.65 1.08 -1.13 0.37 117.51 121.50 1b97 h ILE 240 Ca 0.22 -0.71 0.04 0.00 -0.39 0.00 0.00 64.86 64.03 1b97 h ILE 240 Cb 0.00 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 34.48 1b97 h ILE 240 CO -0.09 0.26 0.57 0.22 -0.69 0.00 0.00 178.15 178.42 1b97 h TYR 241 N 0.63 1.06 0.00 1.37 3.20 -0.63 -2.24 116.97 120.36 1b97 h TYR 241 Ca 0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1b97 h TYR 241 Cb 0.24 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1b97 h TYR 241 CO 0.01 0.59 0.00 0.54 -1.64 0.00 0.00 178.16 177.66 1b97 n ARG 242 N -4.55 0.01 0.00 1.82 1.74 -0.56 -4.88 116.66 110.24 1b97 n ARG 242 Ca 0.12 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1b97 n ARG 242 Cb 0.12 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1b97 n ARG 242 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b97 n GLY 243 N 1.06 1.78 2.90 -0.13 0.00 -0.84 -4.65 105.19 105.31 1b97 n GLY 243 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1b97 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b97 n ARG 244 N -0.57 -3.83 0.00 1.61 1.74 0.13 -4.99 116.66 110.74 1b97 n ARG 244 Ca 0.00 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 1b97 n ARG 244 Cb 0.00 -5.07 0.00 0.00 -1.02 0.00 0.00 32.46 26.37 1b97 n ARG 244 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47