#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b94 h LEU 3 N 0.00 -0.08 -0.33 1.04 5.85 -1.98 0.32 115.31 120.13 1b94 h LEU 3 Ca 0.00 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1b94 h LEU 3 Cb 0.00 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1b94 h LEU 3 CO 0.00 -0.01 0.06 -0.09 -0.34 0.00 0.00 178.44 178.06 1b94 h ARG 4 N 0.19 0.54 -0.28 1.25 2.43 -2.00 0.33 114.38 116.83 1b94 h ARG 4 Ca 0.25 -0.14 -0.17 0.00 -0.81 0.00 0.00 59.98 59.12 1b94 h ARG 4 Cb 0.36 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1b94 h ARG 4 CO -0.36 0.62 -0.49 0.66 -1.51 0.00 0.00 179.97 178.88 1b94 h SER 5 N 0.37 0.85 -0.21 -3.80 4.64 -1.94 -1.32 113.55 112.14 1b94 h SER 5 Ca 0.10 -0.43 -0.09 0.00 -0.47 0.00 0.00 61.79 60.90 1b94 h SER 5 Cb 0.34 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1b94 h SER 5 CO 0.01 1.19 -0.15 0.44 -0.87 0.00 0.00 176.83 177.45 1b94 h ASP 6 N 0.61 0.62 -0.27 4.97 3.32 -0.69 -2.08 116.42 122.88 1b94 h ASP 6 Ca 0.03 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 1b94 h ASP 6 Cb 1.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1b94 h ASP 6 CO 0.11 0.79 -0.16 0.25 -1.72 0.00 0.00 179.24 178.51 1b94 h LEU 7 N 0.57 0.61 -0.76 1.55 5.85 -0.14 -1.57 115.31 121.42 1b94 h LEU 7 Ca 0.10 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1b94 h LEU 7 Cb 0.59 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1b94 h LEU 7 CO 0.04 0.90 0.50 0.40 -0.34 0.00 0.00 178.44 179.94 1b94 h ILE 8 N 0.33 1.18 -0.37 4.05 2.04 -1.22 -0.92 117.51 122.59 1b94 h ILE 8 Ca 0.06 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 1b94 h ILE 8 Cb 0.68 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1b94 h ILE 8 CO 0.04 0.18 -0.19 0.78 0.00 0.00 0.00 178.15 178.97 1b94 h ASN 9 N 1.01 0.81 -0.55 1.72 2.35 -1.34 -1.51 115.58 118.08 1b94 h ASN 9 Ca 0.29 -0.41 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1b94 h ASN 9 Cb -0.09 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 1b94 h ASN 9 CO -0.07 1.04 0.24 0.00 -1.65 0.00 0.00 177.43 176.99 1b94 h ALA 10 N 0.79 0.71 -0.68 -0.83 0.00 -0.78 -2.37 119.26 116.11 1b94 h ALA 10 Ca 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1b94 h ALA 10 Cb 0.74 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1b94 h ALA 10 CO 0.06 0.30 0.30 -0.07 0.00 0.00 0.00 179.25 179.83 1b94 h LEU 11 N 0.74 0.92 -0.31 0.00 3.38 -1.21 -0.13 115.31 118.70 1b94 h LEU 11 Ca 0.18 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1b94 h LEU 11 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1b94 h LEU 11 CO -0.02 0.82 0.18 1.88 0.09 0.00 0.00 178.44 181.39 1b94 h TYR 12 N 0.96 0.42 0.01 1.13 0.05 -1.03 -2.71 116.97 115.80 1b94 h TYR 12 Ca 0.23 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.00 1b94 h TYR 12 Cb 0.17 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1b94 h TYR 12 CO 0.01 0.32 -0.01 -0.44 -1.05 0.00 0.00 178.16 177.00 1b94 h ASP 13 N 0.39 -0.01 -0.61 3.88 5.19 -1.06 -2.25 116.42 121.94 1b94 h ASP 13 Ca 0.11 -0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1b94 h ASP 13 Cb 0.04 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.51 1b94 h ASP 13 CO -0.02 0.12 0.38 -0.08 -3.12 0.00 0.00 179.24 176.53 1b94 h GLU 14 N -0.15 0.74 -0.78 3.56 4.57 -1.05 -1.83 114.58 119.63 1b94 h GLU 14 Ca -0.00 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1b94 h GLU 14 Cb 0.15 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 1b94 h GLU 14 CO 0.00 0.49 0.36 -0.97 -1.18 0.00 0.00 179.01 177.71 1b94 h ASN 15 N 0.76 1.03 -0.37 1.04 -1.24 -1.50 -1.16 115.58 114.14 1b94 h ASN 15 Ca 0.24 -0.13 -0.11 0.00 0.71 0.00 0.00 56.30 57.01 1b94 h ASN 15 Cb -0.01 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.76 1b94 h ASN 15 CO -0.09 0.88 -0.16 -0.61 -1.29 0.00 0.00 177.43 176.16 1b94 h GLN 16 N 1.12 0.84 0.13 6.67 4.15 -1.06 -3.32 115.11 123.64 1b94 h GLN 16 Ca 0.27 -0.31 -0.30 0.00 0.77 0.00 0.00 58.65 59.08 1b94 h GLN 16 Cb 0.14 -0.05 0.03 0.00 0.21 0.00 0.00 27.48 27.80 1b94 h GLN 16 CO -0.03 0.94 -1.26 -0.22 -1.93 0.00 0.00 178.83 176.33 1b94 h LYS 17 N 0.74 0.57 -6.25 1.69 3.64 -0.98 -3.48 116.57 112.51 1b94 h LYS 17 Ca 0.11 -0.79 -0.67 0.00 -1.27 0.00 0.00 60.65 58.04 1b94 h LYS 17 Cb 0.67 0.27 -0.30 0.00 -0.41 0.00 0.00 32.23 32.46 1b94 h LYS 17 CO 0.05 1.36 -0.88 0.71 -2.27 0.00 0.00 179.45 178.42 1b94 s TYR 18 N -2.93 2.20 -0.31 1.91 2.02 -0.47 -5.10 117.35 114.67 1b94 s TYR 18 Ca -0.09 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 1b94 s TYR 18 Cb 0.06 -1.43 0.07 0.00 -0.40 0.00 0.00 41.96 40.26 1b94 s TYR 18 CO 0.93 -0.09 -0.00 -0.51 -1.57 0.00 0.00 175.55 174.31 1b94 s ASP 19 N -0.44 4.77 0.22 2.29 1.01 -1.26 -4.71 116.67 118.54 1b94 s ASP 19 Ca 0.06 -1.56 -0.31 0.00 0.71 0.00 0.00 52.55 51.44 1b94 s ASP 19 Cb -0.10 -1.66 -0.11 0.00 1.01 0.00 0.00 42.92 42.06 1b94 s ASP 19 CO 0.00 -0.29 1.63 -0.69 0.21 0.00 0.00 175.17 176.03 1b94 s VAL 20 N 1.13 2.26 0.00 -1.27 1.01 -1.26 -4.90 120.40 117.37 1b94 s VAL 20 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1b94 s VAL 20 Cb -0.20 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1b94 s VAL 20 CO -0.04 0.02 0.22 0.00 0.00 0.00 0.00 175.10 175.30 1b94 s GLY 22 N -0.05 -0.25 -0.07 0.00 0.00 -1.26 -4.05 107.32 101.64 1b94 s GLY 22 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 44.72 45.00 1b94 s GLY 22 CO 0.00 5.94 -0.07 -0.26 0.00 0.00 0.00 173.10 178.71 1b94 s ILE 23 N -2.01 3.67 0.04 0.90 -4.36 -0.43 -4.96 121.20 114.06 1b94 s ILE 23 Ca 0.30 -0.49 0.09 0.00 -0.26 0.00 0.00 60.65 60.29 1b94 s ILE 23 Cb 0.01 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 1b94 s ILE 23 CO -0.03 0.60 -0.25 -0.51 0.24 0.00 0.00 174.94 174.99 1b94 s ILE 24 N -0.78 1.99 0.55 8.37 2.07 -1.26 -1.47 121.20 130.66 1b94 s ILE 24 Ca 0.12 -1.32 0.01 0.00 -1.41 0.00 0.00 60.65 58.05 1b94 s ILE 24 Cb -0.11 -1.71 0.03 0.00 0.13 0.00 0.00 42.46 40.80 1b94 s ILE 24 CO 0.01 0.32 0.78 -0.94 -1.91 0.00 0.00 174.94 173.20 1b94 s SER 25 N -1.20 5.32 0.49 4.50 1.04 -0.34 -4.95 113.70 118.56 1b94 s SER 25 Ca 0.10 0.05 0.25 0.00 0.48 0.00 0.00 55.95 56.83 1b94 s SER 25 Cb -0.10 -0.97 1.24 0.00 0.10 0.00 0.00 66.02 66.30 1b94 s SER 25 CO 0.02 -1.11 1.99 0.00 0.98 0.00 0.00 173.24 175.11 1b94 h ALA 26 N 0.07 1.25 0.00 5.32 0.00 -2.01 0.07 119.26 123.96 1b94 h ALA 26 Ca -0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1b94 h ALA 26 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1b94 h ALA 26 CO 0.53 0.22 0.00 0.39 0.00 0.00 0.00 179.25 180.39 1b94 n GLU 27 N -3.66 0.03 -0.44 0.00 4.71 -1.26 -4.91 120.64 115.11 1b94 n GLU 27 Ca -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1b94 n GLU 27 Cb 0.30 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 29.18 1b94 n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b94 n GLY 28 N 0.80 0.78 3.78 0.62 0.00 0.01 -5.06 105.19 106.11 1b94 n GLY 28 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1b94 n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b94 s LYS 29 N -0.56 4.23 -0.16 1.61 2.20 -1.26 -4.10 119.74 121.70 1b94 s LYS 29 Ca 0.00 0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 56.20 1b94 s LYS 29 Cb 0.00 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 1b94 s LYS 29 CO 0.00 0.43 -0.05 0.42 -0.36 0.00 0.00 175.35 175.79 1b94 s ILE 30 N -0.36 3.71 -0.19 5.43 1.01 0.20 -1.20 121.20 129.81 1b94 s ILE 30 Ca 0.28 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 1b94 s ILE 30 Cb -0.18 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1b94 s ILE 30 CO 0.16 0.49 -0.02 -0.31 0.00 0.00 0.00 174.94 175.25 1b94 s TYR 31 N 0.52 3.01 0.89 3.97 1.51 -0.55 -0.54 117.35 126.17 1b94 s TYR 31 Ca -0.04 -0.48 -0.11 0.00 -1.01 0.00 0.00 57.07 55.43 1b94 s TYR 31 Cb -0.15 -2.04 0.13 0.00 -0.11 0.00 0.00 41.96 39.79 1b94 s TYR 31 CO 0.03 -0.22 1.10 -1.25 -1.11 0.00 0.00 175.55 174.10 1b94 s PRO 32 N 0.84 1.28 0.51 -1.71 0.04 -1.26 -1.31 135.00 133.39 1b94 s PRO 32 Ca -0.00 1.13 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 1b94 s PRO 32 Cb -0.14 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1b94 s PRO 32 CO 0.02 -2.31 0.88 -0.51 0.04 0.00 0.00 177.00 175.12 1b94 s LEU 33 N -6.33 3.54 0.63 -3.56 1.43 -1.26 -4.77 118.68 108.36 1b94 s LEU 33 Ca 0.64 1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 54.88 1b94 s LEU 33 Cb -0.20 -4.16 0.03 0.00 0.03 0.00 0.00 46.19 41.89 1b94 s LEU 33 CO 0.58 -0.64 0.93 -0.83 0.23 0.00 0.00 176.35 176.62 1b94 s GLY 34 N -3.84 1.66 0.11 -3.19 0.00 -1.26 -4.80 107.32 96.00 1b94 s GLY 34 Ca 0.52 -0.85 0.18 0.00 0.00 0.00 0.00 44.72 44.56 1b94 s GLY 34 CO 0.44 -0.52 0.93 1.76 0.00 0.00 0.00 173.10 175.71 1b94 h SER 35 N -0.31 0.00 -3.96 1.64 0.02 -1.97 -3.44 113.55 105.53 1b94 h SER 35 Ca -0.45 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.01 1b94 h SER 35 Cb 1.28 0.00 0.18 0.00 0.14 0.00 0.00 62.40 64.01 1b94 h SER 35 CO 0.60 0.47 0.18 1.51 -1.14 0.00 0.00 176.83 178.44 1b94 s ASP 36 N -5.78 2.65 0.45 3.07 -4.77 -1.26 -4.90 116.67 106.13 1b94 s ASP 36 Ca -0.02 1.83 0.13 0.00 -3.30 0.00 0.00 52.55 51.20 1b94 s ASP 36 Cb 0.09 -2.41 1.01 0.00 -1.09 0.00 0.00 42.92 40.52 1b94 s ASP 36 CO 0.80 -3.21 2.02 0.74 0.70 0.00 0.00 175.17 176.22 1b94 h THR 37 N -1.94 1.11 -0.99 2.11 2.02 -1.98 -2.08 112.91 111.16 1b94 h THR 37 Ca -0.49 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.22 1b94 h THR 37 Cb 1.29 1.20 -0.06 0.00 -1.74 0.00 0.00 68.15 68.84 1b94 h THR 37 CO 0.47 0.15 0.65 0.50 0.37 0.00 0.00 175.52 177.66 1b94 h LYS 38 N 0.07 1.22 0.15 6.66 1.63 -1.98 0.50 116.57 124.81 1b94 h LYS 38 Ca 0.01 -0.07 -0.29 0.00 -0.85 0.00 0.00 60.65 59.45 1b94 h LYS 38 Cb 0.24 -0.28 0.03 0.00 -0.60 0.00 0.00 32.23 31.63 1b94 h LYS 38 CO 0.02 0.81 -1.23 0.28 -3.45 0.00 0.00 179.45 175.87 1b94 h VAL 39 N 1.26 1.30 -0.01 2.00 2.07 -1.72 -3.25 116.25 117.90 1b94 h VAL 39 Ca 0.39 -2.49 -0.11 0.00 0.82 0.00 0.00 66.70 65.30 1b94 h VAL 39 Cb -0.01 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1b94 h VAL 39 CO -0.12 0.75 -0.53 -0.07 0.02 0.00 0.00 177.57 177.62 1b94 h LEU 40 N 0.18 0.02 -0.48 2.57 3.38 -1.02 -1.68 115.31 118.29 1b94 h LEU 40 Ca -0.20 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.60 1b94 h LEU 40 Cb 1.92 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 1b94 h LEU 40 CO 0.24 0.55 -0.67 0.77 0.09 0.00 0.00 178.44 179.41 1b94 h SER 41 N 0.01 0.44 -0.19 -0.43 4.64 -0.13 -0.21 113.55 117.67 1b94 h SER 41 Ca -0.00 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1b94 h SER 41 Cb 0.95 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 1b94 h SER 41 CO 0.07 0.99 0.08 0.74 -0.87 0.00 0.00 176.83 177.84 1b94 h THR 42 N 0.27 0.98 -0.52 2.95 2.02 -1.55 -1.58 112.91 115.47 1b94 h THR 42 Ca -0.02 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1b94 h THR 42 Cb 1.23 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1b94 h THR 42 CO 0.11 0.03 0.17 0.40 0.37 0.00 0.00 175.52 176.61 1b94 h ILE 43 N 0.18 1.23 -0.42 3.11 5.03 -0.96 -2.19 117.51 123.50 1b94 h ILE 43 Ca 0.08 -0.76 -0.05 0.00 -0.12 0.00 0.00 64.86 64.01 1b94 h ILE 43 Cb 0.03 0.74 -0.02 0.00 -3.03 0.00 0.00 36.82 34.54 1b94 h ILE 43 CO -0.07 0.28 0.06 -0.26 -0.68 0.00 0.00 178.15 177.48 1b94 h PHE 44 N 0.71 0.66 -0.28 1.37 0.04 -0.94 0.07 116.94 118.59 1b94 h PHE 44 Ca 0.17 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 1b94 h PHE 44 Cb 0.26 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1b94 h PHE 44 CO 0.01 0.60 -0.04 0.93 -0.60 0.00 0.00 178.31 179.21 1b94 h GLU 45 N 0.62 0.52 -0.46 1.51 4.39 -0.99 -2.48 114.58 117.69 1b94 h GLU 45 Ca 0.14 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1b94 h GLU 45 Cb 0.30 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1b94 h GLU 45 CO 0.00 0.71 0.00 -0.07 -1.16 0.00 0.00 179.01 178.49 1b94 h LEU 46 N 0.28 0.73 -1.32 1.33 3.38 -1.06 -2.56 115.31 116.08 1b94 h LEU 46 Ca 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1b94 h LEU 46 Cb 0.50 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1b94 h LEU 46 CO 0.02 0.80 0.28 0.15 0.09 0.00 0.00 178.44 179.78 1b94 h PHE 47 N 0.72 0.72 0.00 1.13 3.57 -0.86 -3.00 116.94 119.22 1b94 h PHE 47 Ca 0.14 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1b94 h PHE 47 Cb 0.44 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1b94 h PHE 47 CO 0.02 0.52 -0.36 0.77 -2.23 0.00 0.00 178.31 177.03 1b94 h SER 48 N 0.74 0.00 0.17 0.41 0.02 -1.05 -3.40 113.55 110.44 1b94 h SER 48 Ca 0.19 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1b94 h SER 48 Cb 0.05 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1b94 h SER 48 CO -0.03 0.08 -0.39 0.03 -1.14 0.00 0.00 176.83 175.38 1b94 h ARG 49 N 0.00 -0.63 -0.58 3.45 3.08 -1.34 -1.92 114.38 116.44 1b94 h ARG 49 Ca -0.01 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1b94 h ARG 49 Cb 1.07 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 1b94 h ARG 49 CO 0.01 -0.42 0.33 -1.35 -1.07 0.00 0.00 179.97 177.47 1b94 h PRO 50 N -0.65 0.62 0.04 0.04 0.11 -1.77 -1.60 132.00 128.79 1b94 h PRO 50 Ca 0.02 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.11 1b94 h PRO 50 Cb 0.66 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.59 1b94 h PRO 50 CO -0.20 0.41 -0.22 0.82 -0.21 0.00 0.00 178.00 178.60 1b94 h ILE 51 N 0.64 0.49 -0.70 4.15 2.04 -1.75 -1.29 117.51 121.09 1b94 h ILE 51 Ca 0.25 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.19 1b94 h ILE 51 Cb 0.09 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 1b94 h ILE 51 CO -0.13 0.00 0.37 0.40 0.00 0.00 0.00 178.15 178.79 1b94 h ILE 52 N -0.37 0.90 -0.45 -0.67 2.04 -1.17 -0.78 117.51 117.01 1b94 h ILE 52 Ca 0.05 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 1b94 h ILE 52 Cb 0.43 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1b94 h ILE 52 CO -0.17 0.12 -0.15 -1.13 0.00 0.00 0.00 178.15 176.82 1b94 h ASN 53 N 0.66 0.85 -0.10 1.72 -1.24 -0.81 -1.62 115.58 115.04 1b94 h ASN 53 Ca 0.33 -0.28 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 1b94 h ASN 53 Cb 0.29 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.11 1b94 h ASN 53 CO -0.23 1.00 0.01 0.50 -1.29 0.00 0.00 177.43 177.41 1b94 h LYS 54 N 0.75 0.18 -0.43 6.67 3.64 -0.85 -1.44 116.57 125.09 1b94 h LYS 54 Ca 0.12 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1b94 h LYS 54 Cb 0.67 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1b94 h LYS 54 CO 0.05 0.41 0.01 0.82 -2.27 0.00 0.00 179.45 178.47 1b94 h ILE 55 N -0.08 1.26 -0.43 2.00 1.08 -1.17 -2.10 117.51 118.08 1b94 h ILE 55 Ca 0.03 -1.02 0.01 0.00 -0.39 0.00 0.00 64.86 63.49 1b94 h ILE 55 Cb 0.33 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 1b94 h ILE 55 CO 0.00 0.35 0.27 0.00 -0.69 0.00 0.00 178.15 178.08 1b94 h ALA 56 N 0.91 0.54 -0.81 1.87 0.00 -1.27 -2.13 119.26 118.37 1b94 h ALA 56 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1b94 h ALA 56 Cb 0.48 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1b94 h ALA 56 CO 0.02 -0.03 0.39 0.93 0.00 0.00 0.00 179.25 180.56 1b94 h GLU 57 N 0.55 1.16 -0.30 0.00 5.08 -1.12 -1.28 114.58 118.67 1b94 h GLU 57 Ca 0.16 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1b94 h GLU 57 Cb -0.04 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1b94 h GLU 57 CO -0.05 0.89 0.21 -0.22 -1.00 0.00 0.00 179.01 178.84 1b94 h LYS 58 N 1.15 0.01 -0.36 2.33 3.64 -0.70 -2.31 116.57 120.33 1b94 h LYS 58 Ca 0.28 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1b94 h LYS 58 Cb 0.11 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1b94 h LYS 58 CO -0.04 0.01 0.00 0.72 -2.27 0.00 0.00 179.45 177.87 1b94 n HIS 59 N -4.45 0.46 -1.39 1.91 8.25 -0.56 -4.96 115.22 114.48 1b94 n HIS 59 Ca 0.04 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1b94 n HIS 59 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1b94 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b94 n GLY 60 N 1.48 0.43 3.49 -1.41 0.00 -0.74 -5.04 105.19 103.40 1b94 n GLY 60 Ca 0.19 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1b94 n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b94 s TYR 61 N -2.00 3.05 0.44 1.61 2.02 -0.75 -4.50 117.35 117.23 1b94 s TYR 61 Ca 0.00 -0.34 -0.23 0.00 -0.37 0.00 0.00 57.07 56.13 1b94 s TYR 61 Cb 0.00 -2.02 -0.08 0.00 -0.40 0.00 0.00 41.96 39.46 1b94 s TYR 61 CO 0.00 -0.11 1.10 0.42 -1.57 0.00 0.00 175.55 175.39 1b94 s ILE 62 N 0.64 3.44 -0.12 2.71 1.01 -0.48 -3.96 121.20 124.44 1b94 s ILE 62 Ca -0.01 1.07 0.01 0.00 0.00 0.00 0.00 60.65 61.72 1b94 s ILE 62 Cb -0.14 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1b94 s ILE 62 CO 0.02 -0.03 -0.16 -0.69 0.00 0.00 0.00 174.94 174.09 1b94 s VAL 63 N -1.64 2.84 -0.05 2.92 1.01 -1.26 -1.94 120.40 122.28 1b94 s VAL 63 Ca 0.62 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1b94 s VAL 63 Cb -0.24 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1b94 s VAL 63 CO 0.30 0.54 -0.09 -1.61 0.00 0.00 0.00 175.10 174.24 1b94 s GLU 64 N 0.27 1.24 0.24 2.72 2.02 -0.38 -4.97 118.70 119.84 1b94 s GLU 64 Ca -0.11 -0.28 0.05 0.00 0.02 0.00 0.00 54.97 54.65 1b94 s GLU 64 Cb -0.16 -1.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.94 1b94 s GLU 64 CO 0.06 0.00 0.36 -1.21 0.02 0.00 0.00 175.26 174.49 1b94 s GLU 65 N 0.67 3.43 0.53 1.61 2.02 -1.26 -0.85 118.70 124.85 1b94 s GLU 65 Ca -0.12 -0.76 -0.22 0.00 0.02 0.00 0.00 54.97 53.89 1b94 s GLU 65 Cb -0.14 -2.89 -0.05 0.00 0.10 0.00 0.00 34.13 31.15 1b94 s GLU 65 CO 0.02 0.43 1.36 -2.14 0.02 0.00 0.00 175.26 174.95 1b94 s PRO 66 N -3.96 3.23 -0.04 0.39 0.02 -1.26 -4.93 135.00 128.44 1b94 s PRO 66 Ca 0.34 2.25 -0.11 0.00 0.02 0.00 0.00 61.00 63.51 1b94 s PRO 66 Cb -0.09 -2.31 -0.31 0.00 0.02 0.00 0.00 34.50 31.81 1b94 s PRO 66 CO 0.29 -1.13 0.69 0.87 -0.33 0.00 0.00 177.00 177.40 1b94 h LYS 67 N 1.59 0.39 -5.82 5.54 1.57 -1.97 -3.46 116.57 114.40 1b94 h LYS 67 Ca -0.51 -0.67 -0.64 0.00 -1.87 0.00 0.00 60.65 56.96 1b94 h LYS 67 Cb 1.29 0.25 -0.05 0.00 0.08 0.00 0.00 32.23 33.80 1b94 h LYS 67 CO 0.58 1.31 -0.45 -0.65 -0.57 0.00 0.00 179.45 179.67 1b94 s GLN 68 N -2.58 3.49 0.93 3.15 1.11 -1.26 -5.10 119.66 119.40 1b94 s GLN 68 Ca -0.15 -0.20 -0.12 0.00 0.01 0.00 0.00 55.36 54.90 1b94 s GLN 68 Cb 0.05 -3.10 0.15 0.00 -1.01 0.00 0.00 33.01 29.10 1b94 s GLN 68 CO 0.86 0.68 1.09 -0.65 0.01 0.00 0.00 175.29 177.28 1b94 s GLN 69 N -1.74 1.01 -1.43 2.91 -0.21 -1.26 -3.76 119.66 115.17 1b94 s GLN 69 Ca 0.26 0.72 -0.10 0.00 0.02 0.00 0.00 55.36 56.25 1b94 s GLN 69 Cb -0.13 -1.79 0.05 0.00 1.00 0.00 0.00 33.01 32.14 1b94 s GLN 69 CO 0.16 -2.39 1.04 0.27 -2.12 0.00 0.00 175.29 172.25 1b94 n ASN 70 N -3.97 -4.98 -4.13 5.90 0.23 -1.26 -5.00 115.26 102.06 1b94 n ASN 70 Ca 0.06 -0.68 -0.20 0.00 -0.53 0.00 0.00 54.58 53.23 1b94 n ASN 70 Cb 0.56 -4.41 -0.14 0.00 -2.08 0.00 0.00 39.78 33.71 1b94 n ASN 70 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1b94 s HIS 71 N -3.34 1.20 0.14 -2.53 3.76 -1.25 -4.84 115.29 108.43 1b94 s HIS 71 Ca 0.55 -0.32 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 1b94 s HIS 71 Cb -0.26 -0.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.66 1b94 s HIS 71 CO 0.79 0.02 0.22 -0.47 -0.85 0.00 0.00 174.74 174.44 1b94 s TYR 72 N -0.71 3.37 0.58 1.40 6.14 -0.33 -4.57 117.35 123.22 1b94 s TYR 72 Ca 0.02 0.09 0.07 0.00 0.64 0.00 0.00 57.07 57.89 1b94 s TYR 72 Cb -0.07 -1.63 0.08 0.00 0.42 0.00 0.00 41.96 40.76 1b94 s TYR 72 CO 0.01 0.53 0.80 -1.25 0.64 0.00 0.00 175.55 176.27 1b94 s PRO 73 N -3.06 2.27 0.14 4.97 0.04 -1.26 -0.85 135.00 137.24 1b94 s PRO 73 Ca 0.33 -1.45 -0.23 0.00 0.04 0.00 0.00 61.00 59.69 1b94 s PRO 73 Cb -0.11 -2.60 -0.00 0.00 0.04 0.00 0.00 34.50 31.83 1b94 s PRO 73 CO 0.26 -0.89 1.64 -0.44 0.04 0.00 0.00 177.00 177.62 1b94 h ASP 74 N 0.10 -0.67 -3.54 6.66 3.32 -1.77 -3.39 116.42 117.12 1b94 h ASP 74 Ca -0.33 0.12 -0.55 0.00 0.02 0.00 0.00 57.03 56.29 1b94 h ASP 74 Cb 1.28 0.31 -0.33 0.00 0.22 0.00 0.00 39.33 40.82 1b94 h ASP 74 CO 0.42 -0.26 -0.83 -0.36 -1.72 0.00 0.00 179.24 176.49 1b94 s PHE 75 N -6.10 1.65 -0.24 4.55 0.40 -0.65 -4.26 117.98 113.33 1b94 s PHE 75 Ca -0.15 -0.58 -0.02 0.00 -0.60 0.00 0.00 56.93 55.58 1b94 s PHE 75 Cb 0.11 -1.16 0.01 0.00 0.51 0.00 0.00 43.02 42.49 1b94 s PHE 75 CO 0.67 -0.26 -0.06 0.99 0.70 0.00 0.00 175.22 177.27 1b94 s THR 76 N 0.44 3.03 -0.13 0.64 2.01 -0.03 -1.67 115.64 119.94 1b94 s THR 76 Ca -0.12 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 1b94 s THR 76 Cb -0.15 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1b94 s THR 76 CO 0.04 0.30 0.03 -0.76 -0.69 0.00 0.00 174.62 173.53 1b94 s LEU 77 N 1.38 3.68 -0.28 4.42 1.02 -0.33 -1.25 118.68 127.33 1b94 s LEU 77 Ca 0.03 0.11 -0.23 0.00 0.02 0.00 0.00 54.13 54.05 1b94 s LEU 77 Cb -0.16 -1.88 0.09 0.00 0.02 0.00 0.00 46.19 44.26 1b94 s LEU 77 CO -0.04 0.28 0.80 -0.72 0.02 0.00 0.00 176.35 176.68 1b94 s TYR 78 N -0.29 -0.75 0.18 0.29 1.13 -0.82 -0.89 117.35 116.20 1b94 s TYR 78 Ca 0.07 1.75 -0.27 0.00 -1.41 0.00 0.00 57.07 57.22 1b94 s TYR 78 Cb -0.12 0.35 -0.08 0.00 -1.10 0.00 0.00 41.96 41.01 1b94 s TYR 78 CO 0.02 -0.36 0.83 0.15 -2.51 0.00 0.00 175.55 173.67 1b94 s LYS 79 N 0.57 4.65 0.52 -3.49 1.02 -1.26 -1.38 119.74 120.38 1b94 s LYS 79 Ca -0.01 1.26 0.29 0.00 0.02 0.00 0.00 55.97 57.53 1b94 s LYS 79 Cb -0.05 -3.28 1.43 0.00 -0.52 0.00 0.00 37.83 35.42 1b94 s LYS 79 CO -0.04 0.53 2.04 -1.35 -0.92 0.00 0.00 175.35 175.61 1b94 h PRO 80 N 4.39 0.00 0.00 -1.68 0.11 -1.98 -2.08 132.00 130.75 1b94 h PRO 80 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1b94 h PRO 80 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1b94 h PRO 80 CO 0.67 0.11 -0.15 0.66 -0.21 0.00 0.00 178.00 179.09 1b94 h SER 81 N 0.00 0.00 -3.13 -2.05 4.64 -1.96 -3.38 113.55 107.66 1b94 h SER 81 Ca -0.00 -0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.69 1b94 h SER 81 Cb 0.40 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.08 1b94 h SER 81 CO 0.01 0.00 -0.65 -1.61 -0.87 0.00 0.00 176.83 173.72 1b94 s GLU 82 N -3.21 2.11 0.57 4.77 2.02 -0.78 -4.96 118.70 119.23 1b94 s GLU 82 Ca 0.07 -3.02 0.33 0.00 0.02 0.00 0.00 54.97 52.37 1b94 s GLU 82 Cb 0.07 -3.04 1.75 0.00 0.10 0.00 0.00 34.13 33.01 1b94 s GLU 82 CO 0.67 -1.28 2.17 -1.00 0.02 0.00 0.00 175.26 175.84 1b94 h PRO 83 N 5.61 0.00 -0.65 0.39 0.13 -1.76 -2.84 132.00 132.89 1b94 h PRO 83 Ca 0.13 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.06 1b94 h PRO 83 Cb 0.80 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.81 1b94 h PRO 83 CO 0.65 0.05 0.22 0.09 -0.23 0.00 0.00 178.00 178.78 1b94 n ASN 84 N -3.46 4.35 -0.66 1.44 4.13 -1.26 -4.12 115.26 115.68 1b94 n ASN 84 Ca -0.02 -3.30 0.06 0.00 1.68 0.00 0.00 54.58 53.00 1b94 n ASN 84 Cb 0.18 -0.71 0.19 0.00 -1.54 0.00 0.00 39.78 37.90 1b94 n ASN 84 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1b94 n LYS 85 N -0.40 1.46 -1.89 3.52 4.76 -1.07 -4.56 118.16 119.98 1b94 n LYS 85 Ca 0.39 -3.19 -0.41 0.00 -2.87 0.00 0.00 58.31 52.23 1b94 n LYS 85 Cb 1.30 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.99 1b94 n LYS 85 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1b94 s LYS 86 N -2.98 4.18 -0.17 1.97 1.02 -1.03 -4.69 119.74 118.05 1b94 s LYS 86 Ca 0.38 2.47 -0.06 0.00 0.02 0.00 0.00 55.97 58.77 1b94 s LYS 86 Cb 0.37 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 1b94 s LYS 86 CO -0.08 -0.46 0.03 0.42 -0.92 0.00 0.00 175.35 174.35 1b94 s ILE 87 N -0.81 4.55 -0.17 2.17 1.01 -0.07 -1.06 121.20 126.83 1b94 s ILE 87 Ca 0.54 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 61.00 1b94 s ILE 87 Cb -0.45 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1b94 s ILE 87 CO 0.56 0.47 0.07 0.00 0.00 0.00 0.00 174.94 176.04 1b94 s ALA 88 N 0.34 3.46 -0.10 9.38 0.00 0.29 -1.19 121.76 133.95 1b94 s ALA 88 Ca 0.01 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1b94 s ALA 88 Cb -0.13 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.11 1b94 s ALA 88 CO 0.01 0.25 -0.10 0.42 0.00 0.00 0.00 175.76 176.34 1b94 s ILE 89 N 0.14 1.11 -0.03 0.00 1.01 -0.67 0.57 121.20 123.33 1b94 s ILE 89 Ca 0.05 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.35 1b94 s ILE 89 Cb -0.12 -1.07 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 1b94 s ILE 89 CO 0.00 0.37 -0.13 -0.62 0.00 0.00 0.00 174.94 174.57 1b94 s ASP 90 N 1.28 1.59 -0.18 3.58 2.15 -0.25 -1.64 116.67 123.20 1b94 s ASP 90 Ca -0.03 -0.25 -0.14 0.00 0.43 0.00 0.00 52.55 52.56 1b94 s ASP 90 Cb -0.14 -0.36 -0.04 0.00 -0.30 0.00 0.00 42.92 42.08 1b94 s ASP 90 CO -0.04 0.12 0.31 -0.63 -0.17 0.00 0.00 175.17 174.77 1b94 s ILE 91 N 0.01 5.28 0.05 4.11 1.01 -1.26 -0.17 121.20 130.23 1b94 s ILE 91 Ca -0.01 0.57 0.07 0.00 0.00 0.00 0.00 60.65 61.28 1b94 s ILE 91 Cb -0.08 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1b94 s ILE 91 CO 0.01 0.35 -0.19 -0.54 0.00 0.00 0.00 174.94 174.57 1b94 s LYS 92 N 0.73 1.20 0.06 2.79 -0.14 0.21 -4.95 119.74 119.64 1b94 s LYS 92 Ca 0.17 -0.94 0.02 0.00 -1.36 0.00 0.00 55.97 53.86 1b94 s LYS 92 Cb -0.13 -1.32 -0.03 0.00 -1.68 0.00 0.00 37.83 34.67 1b94 s LYS 92 CO 0.05 0.33 -0.08 0.99 -0.76 0.00 0.00 175.35 175.88 1b94 s THR 93 N -0.90 0.62 0.28 2.17 2.01 -1.26 -1.19 115.64 117.36 1b94 s THR 93 Ca 0.05 -1.31 -0.20 0.00 0.31 0.00 0.00 61.69 60.54 1b94 s THR 93 Cb -0.09 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1b94 s THR 93 CO 0.02 -0.50 0.68 0.28 -0.69 0.00 0.00 174.62 174.42 1b94 s THR 94 N -1.94 0.00 0.23 -0.82 -1.32 -0.82 -4.88 115.64 106.08 1b94 s THR 94 Ca -0.04 -1.06 0.07 0.00 -1.21 0.00 0.00 61.69 59.45 1b94 s THR 94 Cb -0.06 -2.04 -0.05 0.00 -1.51 0.00 0.00 72.50 68.84 1b94 s THR 94 CO -0.01 0.00 -0.11 -0.72 -2.21 0.00 0.00 174.62 171.58 1b94 s TYR 95 N -3.92 1.78 0.16 9.09 1.13 -1.26 -2.42 117.35 121.91 1b94 s TYR 95 Ca 0.13 -0.64 0.07 0.00 -1.41 0.00 0.00 57.07 55.22 1b94 s TYR 95 Cb -0.05 -0.91 -0.04 0.00 -1.10 0.00 0.00 41.96 39.86 1b94 s TYR 95 CO 0.07 0.30 -0.14 0.95 -2.51 0.00 0.00 175.55 174.23 1b94 s THR 96 N -3.02 1.51 -0.07 -3.49 -4.23 -0.42 -4.90 115.64 101.03 1b94 s THR 96 Ca 0.25 -2.01 0.09 0.00 -1.18 0.00 0.00 61.69 58.85 1b94 s THR 96 Cb 0.01 -1.83 -0.24 0.00 1.34 0.00 0.00 72.50 71.78 1b94 s THR 96 CO 0.09 -0.54 0.56 0.59 -0.54 0.00 0.00 174.62 174.77 1b94 n ASN 97 N -0.00 1.06 -4.38 3.99 3.02 -1.26 -1.52 115.26 116.17 1b94 n ASN 97 Ca -0.11 0.35 -0.20 0.00 -0.03 0.00 0.00 54.58 54.58 1b94 n ASN 97 Cb 0.59 -0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 39.51 1b94 n ASN 97 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1b94 s LYS 98 N -2.58 1.44 0.38 3.52 1.02 -1.26 -4.60 119.74 117.65 1b94 s LYS 98 Ca -0.09 -1.65 0.06 0.00 0.02 0.00 0.00 55.97 54.31 1b94 s LYS 98 Cb 0.08 -1.30 0.74 0.00 -0.52 0.00 0.00 37.83 36.83 1b94 s LYS 98 CO 0.81 0.22 1.97 0.93 -0.92 0.00 0.00 175.35 178.36 1b94 h GLU 99 N 2.46 0.52 -0.54 1.68 4.39 -1.99 -3.34 114.58 117.76 1b94 h GLU 99 Ca -0.39 -0.07 -0.34 0.00 0.34 0.00 0.00 59.36 58.91 1b94 h GLU 99 Cb 1.23 -0.10 -0.21 0.00 -0.10 0.00 0.00 28.75 29.58 1b94 h GLU 99 CO 0.62 0.44 -0.08 0.09 -1.16 0.00 0.00 179.01 178.92 1b94 n ASN 100 N -4.38 3.67 -4.95 1.42 3.02 -1.26 -4.99 115.26 107.80 1b94 n ASN 100 Ca 0.02 -3.78 -0.23 0.00 -0.03 0.00 0.00 54.58 50.55 1b94 n ASN 100 Cb 0.15 -0.63 0.04 0.00 -0.61 0.00 0.00 39.78 38.73 1b94 n ASN 100 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1b94 s GLU 101 N -3.40 2.63 0.38 3.52 2.02 -1.26 -4.99 118.70 117.59 1b94 s GLU 101 Ca 0.49 -0.48 -0.25 0.00 0.02 0.00 0.00 54.97 54.76 1b94 s GLU 101 Cb 0.43 -2.39 -0.09 0.00 0.10 0.00 0.00 34.13 32.17 1b94 s GLU 101 CO 0.01 -0.74 1.04 0.15 0.02 0.00 0.00 175.26 175.73 1b94 s LYS 102 N -4.87 4.28 0.43 1.61 1.02 -1.26 -4.58 119.74 116.36 1b94 s LYS 102 Ca 0.56 1.51 0.03 0.00 0.02 0.00 0.00 55.97 58.08 1b94 s LYS 102 Cb -0.10 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 1b94 s LYS 102 CO 0.41 -0.04 0.06 0.96 -0.92 0.00 0.00 175.35 175.82 1b94 s ILE 103 N -1.61 1.03 -0.03 2.17 -4.36 -0.37 -4.88 121.20 113.15 1b94 s ILE 103 Ca 0.55 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.65 1b94 s ILE 103 Cb -0.22 -2.44 0.08 0.00 1.25 0.00 0.00 42.46 41.13 1b94 s ILE 103 CO 0.28 0.00 0.70 -1.59 0.24 0.00 0.00 174.94 174.57 1b94 s LYS 104 N -3.79 1.04 0.37 0.37 -2.85 -1.26 -2.11 119.74 111.50 1b94 s LYS 104 Ca 0.22 0.12 0.08 0.00 -1.00 0.00 0.00 55.97 55.39 1b94 s LYS 104 Cb 0.04 0.49 -0.07 0.00 -2.06 0.00 0.00 37.83 36.23 1b94 s LYS 104 CO 0.11 -0.35 -0.04 -0.06 0.10 0.00 0.00 175.35 175.11 1b94 s PHE 105 N -1.65 2.46 -0.13 1.78 0.08 -1.26 -4.84 117.98 114.42 1b94 s PHE 105 Ca -0.08 -0.56 -0.10 0.00 0.12 0.00 0.00 56.93 56.32 1b94 s PHE 105 Cb -0.00 -1.55 -0.05 0.00 -0.57 0.00 0.00 43.02 40.85 1b94 s PHE 105 CO 0.05 0.52 0.19 0.95 -0.10 0.00 0.00 175.22 176.82 1b94 s THR 106 N -2.64 5.40 -0.28 0.64 -4.23 -1.26 -1.82 115.64 111.45 1b94 s THR 106 Ca 0.34 0.32 0.09 0.00 -1.18 0.00 0.00 61.69 61.26 1b94 s THR 106 Cb 0.05 -3.48 0.48 0.00 1.34 0.00 0.00 72.50 70.88 1b94 s THR 106 CO 0.17 0.54 1.39 0.18 -0.54 0.00 0.00 174.62 176.37 1b94 n LEU 107 N 2.54 3.96 0.00 4.79 4.77 -0.14 -4.95 117.00 127.98 1b94 n LEU 107 Ca -0.17 -3.95 0.00 0.00 -0.03 0.00 0.00 56.01 51.86 1b94 n LEU 107 Cb 0.54 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1b94 n LEU 107 CO 0.34 1.41 0.00 0.61 -1.33 0.00 0.00 177.39 178.42 1b94 n GLY 108 N -1.08 -0.75 3.72 -0.72 0.00 -1.26 -4.67 105.19 100.43 1b94 n GLY 108 Ca 0.32 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 1b94 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b94 n GLY 109 N -0.82 0.50 0.27 -0.02 0.00 -1.26 -0.00 105.19 103.87 1b94 n GLY 109 Ca 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1b94 n GLY 109 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1b94 n TYR 110 N -1.59 0.00 0.45 1.61 0.18 -0.69 -4.45 117.16 112.67 1b94 n TYR 110 Ca 0.14 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.97 1b94 n TYR 110 Cb 0.47 0.00 0.05 0.00 -0.38 0.00 0.00 39.34 39.47 1b94 n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1b94 n THR 111 N -0.64 0.00 0.00 -3.48 -2.24 -1.26 -4.57 114.28 102.09 1b94 n THR 111 Ca 0.07 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1b94 n THR 111 Cb 0.39 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1b94 n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b94 n SER 112 N 0.61 0.00 0.31 3.42 3.41 -1.26 -4.52 113.62 115.59 1b94 n SER 112 Ca 0.06 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.85 1b94 n SER 112 Cb 0.27 0.00 0.99 0.00 -0.26 0.00 0.00 64.21 65.21 1b94 n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1b94 h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.60 0.13 116.94 117.65 1b94 h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1b94 h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1b94 h PHE 113 CO 0.00 0.02 0.00 -0.84 -2.00 0.00 0.00 178.31 175.49 1b94 h ILE 114 N 0.00 0.00 0.00 0.88 3.07 -1.87 -3.16 117.51 116.43 1b94 h ILE 114 Ca -0.00 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1b94 h ILE 114 Cb 0.11 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.28 1b94 h ILE 114 CO 0.00 0.00 -1.41 0.54 -1.05 0.00 0.00 178.15 176.23 1b94 n ARG 115 N -2.78 0.91 -3.75 0.16 1.74 -0.25 -4.90 116.66 107.77 1b94 n ARG 115 Ca 0.03 -0.10 -0.24 0.00 -0.77 0.00 0.00 57.85 56.77 1b94 n ARG 115 Cb 0.41 -1.29 -0.17 0.00 -1.02 0.00 0.00 32.46 30.39 1b94 n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1b94 s ASN 116 N -3.31 1.92 0.43 0.55 3.84 0.29 -5.04 114.94 113.62 1b94 s ASN 116 Ca -0.03 -0.28 0.27 0.00 0.21 0.00 0.00 52.86 53.03 1b94 s ASN 116 Cb 0.09 -0.46 1.32 0.00 -0.55 0.00 0.00 41.25 41.64 1b94 s ASN 116 CO 0.58 -0.23 1.70 -1.13 -2.79 0.00 0.00 177.10 175.23 1b94 h ASN 117 N 8.31 0.30 -0.04 -4.21 -1.24 -1.86 -0.94 115.58 115.89 1b94 h ASN 117 Ca -0.19 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 56.92 1b94 h ASN 117 Cb 1.12 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 40.24 1b94 h ASN 117 CO 0.28 -0.05 -0.03 0.35 -1.29 0.00 0.00 177.43 176.69 1b94 n THR 118 N -4.60 1.98 -3.07 -3.57 -2.24 -1.26 -0.56 114.28 100.96 1b94 n THR 118 Ca 0.31 -2.27 -0.41 0.00 -2.27 0.00 0.00 64.05 59.41 1b94 n THR 118 Cb 1.21 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 1b94 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1b94 s LYS 119 N -2.90 4.08 -1.43 -0.78 2.20 -0.36 -4.24 119.74 116.31 1b94 s LYS 119 Ca 0.34 0.57 -0.09 0.00 -0.36 0.00 0.00 55.97 56.43 1b94 s LYS 119 Cb 0.30 -3.66 0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1b94 s LYS 119 CO 0.03 -0.46 0.98 0.09 -0.36 0.00 0.00 175.35 175.63 1b94 n ASN 120 N 5.80 -4.29 -3.82 1.43 4.13 -1.26 -2.39 115.26 114.86 1b94 n ASN 120 Ca 0.00 -0.73 -0.12 0.00 1.68 0.00 0.00 54.58 55.42 1b94 n ASN 120 Cb 0.49 -4.24 -0.12 0.00 -1.54 0.00 0.00 39.78 34.36 1b94 n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1b94 s ILE 121 N -3.38 0.01 0.17 2.41 2.07 -1.26 -1.19 121.20 120.03 1b94 s ILE 121 Ca 0.48 -0.08 -0.14 0.00 -1.41 0.00 0.00 60.65 59.50 1b94 s ILE 121 Cb -0.23 -0.24 0.06 0.00 0.13 0.00 0.00 42.46 42.17 1b94 s ILE 121 CO 0.80 -0.04 1.80 0.58 -1.91 0.00 0.00 174.94 176.17 1b94 h VAL 122 N 4.84 1.16 -3.65 4.00 2.07 -1.29 -3.44 116.25 119.94 1b94 h VAL 122 Ca -0.26 -0.35 -0.56 0.00 0.82 0.00 0.00 66.70 66.35 1b94 h VAL 122 Cb 1.20 0.45 -0.20 0.00 -1.52 0.00 0.00 31.29 31.22 1b94 h VAL 122 CO 0.41 0.16 -0.81 -0.31 0.02 0.00 0.00 177.57 177.04 1b94 s TYR 123 N -6.00 1.87 0.12 1.57 2.02 -1.26 -5.09 117.35 110.57 1b94 s TYR 123 Ca -0.13 -0.43 -0.34 0.00 -0.37 0.00 0.00 57.07 55.80 1b94 s TYR 123 Cb 0.12 -0.98 -0.18 0.00 -0.40 0.00 0.00 41.96 40.52 1b94 s TYR 123 CO 0.75 0.28 0.85 -2.30 -1.57 0.00 0.00 175.55 173.56 1b94 n PRO 124 N 0.73 0.21 -0.14 -1.71 -0.02 -1.26 -4.82 135.00 127.99 1b94 n PRO 124 Ca -0.17 0.07 0.08 0.00 -2.02 0.00 0.00 63.50 61.47 1b94 n PRO 124 Cb 0.55 -1.36 0.41 0.00 -0.02 0.00 0.00 33.50 33.07 1b94 n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1b94 h PHE 125 N 2.20 0.64 0.00 6.00 3.57 -1.16 -1.80 116.94 126.39 1b94 h PHE 125 Ca -0.40 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1b94 h PHE 125 Cb 1.42 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1b94 h PHE 125 CO 0.50 0.33 0.00 -0.40 -2.23 0.00 0.00 178.31 176.51 1b94 n ASP 126 N -4.48 0.00 0.01 0.41 5.68 -1.26 -1.81 116.55 115.10 1b94 n ASP 126 Ca 0.10 -0.68 0.12 0.00 -0.50 0.00 0.00 54.79 53.83 1b94 n ASP 126 Cb 0.26 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.48 1b94 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b94 n GLN 127 N -0.93 0.06 -3.54 0.11 6.02 -0.68 -4.87 117.38 113.55 1b94 n GLN 127 Ca 0.12 0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.75 1b94 n GLN 127 Cb 0.06 -1.53 -0.06 0.00 1.02 0.00 0.00 30.24 29.72 1b94 n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1b94 s TYR 128 N -3.04 3.67 -0.77 1.08 1.51 -0.75 -2.45 117.35 116.60 1b94 s TYR 128 Ca 0.10 0.89 0.09 0.00 -1.01 0.00 0.00 57.07 57.14 1b94 s TYR 128 Cb 0.17 -2.27 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1b94 s TYR 128 CO 0.70 0.58 0.57 0.44 -1.11 0.00 0.00 175.55 176.73 1b94 n ILE 129 N 2.14 0.00 -3.68 2.71 -5.35 -0.22 -4.91 119.36 110.04 1b94 n ILE 129 Ca -0.14 -0.39 -0.14 0.00 -0.27 0.00 0.00 62.75 61.81 1b94 n ILE 129 Cb 0.53 1.09 -0.08 0.00 -1.74 0.00 0.00 39.64 39.43 1b94 n ILE 129 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b94 s ALA 130 N -1.37 -1.21 -0.32 -1.28 0.00 -1.23 -5.06 121.76 111.28 1b94 s ALA 130 Ca 0.07 1.10 -0.00 0.00 0.00 0.00 0.00 51.96 53.13 1b94 s ALA 130 Cb 0.07 -0.43 0.10 0.00 0.00 0.00 0.00 23.12 22.87 1b94 s ALA 130 CO 0.25 -0.27 0.11 -1.01 0.00 0.00 0.00 175.76 174.84 1b94 s HIS 131 N -0.43 1.91 -0.09 0.00 3.76 -1.26 -0.55 115.29 118.64 1b94 s HIS 131 Ca -0.06 -1.91 -0.04 0.00 -0.15 0.00 0.00 55.06 52.90 1b94 s HIS 131 Cb -0.03 -1.84 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 1b94 s HIS 131 CO 0.03 -0.88 0.09 -1.58 -0.85 0.00 0.00 174.74 171.56 1b94 s TRP 132 N 1.44 3.42 -0.18 1.40 0.51 0.19 -1.11 118.94 124.61 1b94 s TRP 132 Ca 0.11 0.37 -0.07 0.00 -2.12 0.00 0.00 56.10 54.39 1b94 s TRP 132 Cb -0.18 -1.86 -0.04 0.00 -0.81 0.00 0.00 33.47 30.58 1b94 s TRP 132 CO -0.21 0.62 0.04 0.42 -0.51 0.00 0.00 176.95 177.31 1b94 s ILE 133 N -1.03 4.60 -0.38 2.03 -1.09 -0.10 -1.09 121.20 124.15 1b94 s ILE 133 Ca 0.16 -0.10 -0.15 0.00 -2.23 0.00 0.00 60.65 58.33 1b94 s ILE 133 Cb -0.12 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1b94 s ILE 133 CO 0.06 0.46 0.33 -0.63 -1.23 0.00 0.00 174.94 173.93 1b94 s ILE 134 N 0.41 5.21 -0.21 2.92 1.01 0.76 -1.88 121.20 129.41 1b94 s ILE 134 Ca 0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.29 1b94 s ILE 134 Cb -0.13 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1b94 s ILE 134 CO 0.01 -0.21 0.06 -0.83 0.00 0.00 0.00 174.94 173.98 1b94 s GLY 135 N 1.73 1.83 -0.10 6.18 0.00 -0.57 -0.62 107.32 115.77 1b94 s GLY 135 Ca 0.08 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 1b94 s GLY 135 CO 0.11 0.27 -0.08 -0.19 0.00 0.00 0.00 173.10 173.22 1b94 s TYR 136 N 0.95 2.92 -0.09 1.90 2.02 -0.33 -1.17 117.35 123.55 1b94 s TYR 136 Ca 0.04 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1b94 s TYR 136 Cb -0.14 -1.80 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1b94 s TYR 136 CO 0.03 0.13 -0.10 0.08 -1.57 0.00 0.00 175.55 174.11 1b94 s VAL 137 N -0.28 1.10 0.16 0.71 1.01 -0.03 -1.95 120.40 121.13 1b94 s VAL 137 Ca 0.04 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1b94 s VAL 137 Cb -0.13 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1b94 s VAL 137 CO 0.03 0.36 -0.20 -0.72 0.00 0.00 0.00 175.10 174.57 1b94 s TYR 138 N 1.11 1.94 -0.22 5.22 1.13 -1.02 -0.20 117.35 125.30 1b94 s TYR 138 Ca -0.06 -0.43 -0.15 0.00 -1.41 0.00 0.00 57.07 55.02 1b94 s TYR 138 Cb -0.14 -0.97 -0.04 0.00 -1.10 0.00 0.00 41.96 39.70 1b94 s TYR 138 CO -0.02 0.36 0.35 0.99 -2.51 0.00 0.00 175.55 174.72 1b94 s THR 139 N -1.84 5.23 0.56 -3.49 2.01 -0.43 -1.29 115.64 116.37 1b94 s THR 139 Ca 0.16 0.58 -0.21 0.00 0.31 0.00 0.00 61.69 62.53 1b94 s THR 139 Cb -0.07 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1b94 s THR 139 CO 0.07 0.25 1.28 -0.13 -0.69 0.00 0.00 174.62 175.40 1b94 s ARG 140 N 1.38 3.13 0.46 4.92 0.52 -0.57 -1.74 118.95 127.05 1b94 s ARG 140 Ca 0.16 2.03 -0.12 0.00 -0.52 0.00 0.00 55.73 57.27 1b94 s ARG 140 Cb -0.15 -2.15 -0.07 0.00 0.52 0.00 0.00 34.95 33.11 1b94 s ARG 140 CO 0.08 -1.13 0.86 0.14 0.02 0.00 0.00 175.30 175.27 1b94 s VAL 141 N -1.43 4.70 0.29 3.52 -7.23 -1.24 -4.59 120.40 114.42 1b94 s VAL 141 Ca 0.73 0.82 0.15 0.00 -1.81 0.00 0.00 61.98 61.87 1b94 s VAL 141 Cb -0.35 -3.75 0.09 0.00 0.56 0.00 0.00 36.38 32.93 1b94 s VAL 141 CO 0.41 -0.65 1.76 0.00 -0.31 0.00 0.00 175.10 176.31 1b94 h ALA 142 N 0.96 1.16 -2.50 1.32 0.00 -1.95 -3.44 119.26 114.80 1b94 h ALA 142 Ca -0.47 -0.38 -0.53 0.00 0.00 0.00 0.00 54.91 53.53 1b94 h ALA 142 Cb 1.19 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.94 1b94 h ALA 142 CO 0.63 0.53 0.93 0.95 0.00 0.00 0.00 179.25 182.28 1b94 s THR 143 N -3.87 3.00 -0.40 0.00 -4.23 -1.26 -4.90 115.64 103.97 1b94 s THR 143 Ca -0.02 0.57 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 1b94 s THR 143 Cb 0.13 -3.36 0.50 0.00 1.34 0.00 0.00 72.50 71.11 1b94 s THR 143 CO 0.71 0.02 1.59 0.54 -0.54 0.00 0.00 174.62 176.94 1b94 n ARG 144 N 4.96 2.51 -3.02 3.99 1.74 -1.26 -4.59 116.66 120.99 1b94 n ARG 144 Ca 0.15 -3.43 -0.15 0.00 -0.77 0.00 0.00 57.85 53.64 1b94 n ARG 144 Cb 0.40 -2.08 0.01 0.00 -1.02 0.00 0.00 32.46 29.77 1b94 n ARG 144 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1b94 n LYS 145 N -0.98 0.94 -0.48 5.56 5.02 -1.26 -5.14 118.16 121.82 1b94 n LYS 145 Ca 0.46 -2.79 -0.30 0.00 -2.02 0.00 0.00 58.31 53.66 1b94 n LYS 145 Cb 1.01 -1.42 0.27 0.00 -0.02 0.00 0.00 35.03 34.87 1b94 n LYS 145 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1b94 s SER 146 N -1.87 -0.21 0.34 4.39 1.04 -1.26 -4.90 113.70 111.22 1b94 s SER 146 Ca 0.33 1.09 -0.29 0.00 0.48 0.00 0.00 55.95 57.57 1b94 s SER 146 Cb 0.30 -1.62 -0.10 0.00 0.10 0.00 0.00 66.02 64.69 1b94 s SER 146 CO -0.09 -4.88 1.36 -0.55 0.98 0.00 0.00 173.24 170.07 1b94 s SER 147 N -2.94 6.65 -0.07 7.02 0.15 -1.26 -4.95 113.70 118.30 1b94 s SER 147 Ca 0.69 2.79 0.12 0.00 0.70 0.00 0.00 55.95 60.25 1b94 s SER 147 Cb -0.18 -2.65 0.33 0.00 -1.71 0.00 0.00 66.02 61.81 1b94 s SER 147 CO 0.61 -0.63 1.26 0.18 1.20 0.00 0.00 173.24 175.85 1b94 n LEU 148 N 0.72 3.03 -4.85 3.45 4.77 -1.26 -4.81 117.00 118.05 1b94 n LEU 148 Ca 0.00 -2.45 -0.25 0.00 -0.03 0.00 0.00 56.01 53.29 1b94 n LEU 148 Cb 0.41 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1b94 n LEU 148 CO 0.60 0.67 -0.03 -1.59 -1.33 0.00 0.00 177.39 175.72 1b94 s LYS 149 N -1.79 2.30 0.35 3.23 -2.85 -1.26 -5.11 119.74 114.61 1b94 s LYS 149 Ca 0.27 -1.90 0.08 0.00 -1.00 0.00 0.00 55.97 53.42 1b94 s LYS 149 Cb 0.19 -2.09 -0.04 0.00 -2.06 0.00 0.00 37.83 33.82 1b94 s LYS 149 CO 0.10 -0.39 0.14 0.95 0.10 0.00 0.00 175.35 176.25 1b94 s THR 150 N -2.67 2.93 0.07 3.79 -4.23 -1.26 -4.39 115.64 109.88 1b94 s THR 150 Ca 0.37 -1.70 -0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1b94 s THR 150 Cb -0.01 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 1b94 s THR 150 CO 0.22 -0.16 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.79 1b94 s TYR 151 N -2.45 0.64 0.42 3.99 2.02 0.30 -4.96 117.35 117.32 1b94 s TYR 151 Ca 0.38 -1.04 0.07 0.00 -0.37 0.00 0.00 57.07 56.11 1b94 s TYR 151 Cb -0.02 -0.43 -0.03 0.00 -0.40 0.00 0.00 41.96 41.08 1b94 s TYR 151 CO 0.23 -0.33 0.31 0.54 -1.57 0.00 0.00 175.55 174.73 1b94 s ASN 152 N -2.96 4.81 0.40 2.29 2.20 -1.26 0.61 114.94 121.03 1b94 s ASN 152 Ca 0.09 -0.89 0.28 0.00 -0.94 0.00 0.00 52.86 51.41 1b94 s ASN 152 Cb 0.07 -0.49 1.41 0.00 -2.00 0.00 0.00 41.25 40.25 1b94 s ASN 152 CO -0.08 -0.64 1.85 0.40 -2.94 0.00 0.00 177.10 175.69 1b94 h ILE 153 N 1.15 0.00 -0.01 0.54 2.04 -1.99 -1.87 117.51 117.37 1b94 h ILE 153 Ca -0.42 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1b94 h ILE 153 Cb 1.26 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1b94 h ILE 153 CO 0.62 0.00 -0.03 0.59 0.00 0.00 0.00 178.15 179.33 1b94 n ASN 154 N -2.51 1.31 -0.53 1.72 3.02 -1.26 -3.85 115.26 113.17 1b94 n ASN 154 Ca -0.01 -1.38 0.08 0.00 -0.03 0.00 0.00 54.58 53.25 1b94 n ASN 154 Cb 0.11 0.01 0.19 0.00 -0.61 0.00 0.00 39.78 39.48 1b94 n ASN 154 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1b94 n GLU 155 N -0.02 2.41 -0.33 3.52 1.02 -0.70 -4.79 120.64 121.74 1b94 n GLU 155 Ca 0.19 -2.55 0.18 0.00 -0.02 0.00 0.00 57.16 54.96 1b94 n GLU 155 Cb 0.33 -1.60 0.42 0.00 -0.02 0.00 0.00 31.44 30.58 1b94 n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1b94 h LEU 156 N 1.11 0.61 -0.61 -4.62 3.38 -1.69 0.22 115.31 113.71 1b94 h LEU 156 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1b94 h LEU 156 Cb 1.14 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1b94 h LEU 156 CO 0.11 0.15 0.00 0.59 0.09 0.00 0.00 178.44 179.38 1b94 n ASN 157 N -4.74 0.92 0.00 -0.43 5.03 -1.26 -3.24 115.26 111.55 1b94 n ASN 157 Ca 0.25 -1.57 0.11 0.00 0.87 0.00 0.00 54.58 54.24 1b94 n ASN 157 Cb 0.74 -0.06 -0.07 0.00 -1.02 0.00 0.00 39.78 39.38 1b94 n ASN 157 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1b94 n GLU 158 N -0.18 0.19 -2.30 3.52 1.02 0.07 -4.94 120.64 118.02 1b94 n GLU 158 Ca 0.15 -0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.83 1b94 n GLU 158 Cb 0.21 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.08 1b94 n GLU 158 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b94 s ILE 159 N -3.15 3.96 0.18 -3.67 1.01 -1.20 -4.98 121.20 113.36 1b94 s ILE 159 Ca 0.04 1.09 -0.32 0.00 0.00 0.00 0.00 60.65 61.46 1b94 s ILE 159 Cb 0.15 -3.98 -0.11 0.00 0.01 0.00 0.00 42.46 38.53 1b94 s ILE 159 CO 0.85 -0.41 1.77 -2.84 0.00 0.00 0.00 174.94 174.31 1b94 s PRO 160 N 4.38 4.13 0.03 2.79 0.02 -1.26 -4.99 135.00 140.09 1b94 s PRO 160 Ca 0.62 2.61 -0.19 0.00 0.02 0.00 0.00 61.00 64.07 1b94 s PRO 160 Cb -0.20 -3.26 -0.06 0.00 0.02 0.00 0.00 34.50 31.00 1b94 s PRO 160 CO 0.26 -0.79 0.54 0.15 -0.33 0.00 0.00 177.00 176.82 1b94 s LYS 161 N 1.75 4.18 -0.00 5.54 1.02 -1.26 -4.72 119.74 126.25 1b94 s LYS 161 Ca 0.77 0.65 0.03 0.00 0.02 0.00 0.00 55.97 57.44 1b94 s LYS 161 Cb -0.49 -3.27 0.08 0.00 -0.52 0.00 0.00 37.83 33.63 1b94 s LYS 161 CO 0.34 0.56 1.06 -0.35 -0.92 0.00 0.00 175.35 176.03 1b94 n PRO 162 N 2.09 1.21 -4.01 -1.68 -0.04 -1.26 -4.81 135.00 126.50 1b94 n PRO 162 Ca -0.10 -0.32 -0.08 0.00 -0.04 0.00 0.00 63.50 62.96 1b94 n PRO 162 Cb 0.51 -1.08 -0.10 0.00 -0.04 0.00 0.00 33.50 32.80 1b94 n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1b94 s TYR 163 N -1.87 0.37 -0.19 0.54 -0.85 -1.26 -3.66 117.35 110.43 1b94 s TYR 163 Ca 0.06 -0.81 0.04 0.00 -0.52 0.00 0.00 57.07 55.83 1b94 s TYR 163 Cb 0.03 -0.27 -0.22 0.00 0.38 0.00 0.00 41.96 41.89 1b94 s TYR 163 CO 0.04 -0.38 0.09 1.63 -1.52 0.00 0.00 175.55 175.41 1b94 n LYS 164 N 0.40 0.69 -3.55 -3.49 5.02 -0.71 -4.86 118.16 111.66 1b94 n LYS 164 Ca -0.16 0.17 -0.16 0.00 -2.02 0.00 0.00 58.31 56.14 1b94 n LYS 164 Cb 0.60 -1.60 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 1b94 n LYS 164 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1b94 s GLY 165 N -5.92 -0.49 -0.03 0.72 0.00 -1.26 -4.99 107.32 95.34 1b94 s GLY 165 Ca -0.24 1.62 0.02 0.00 0.00 0.00 0.00 44.72 46.12 1b94 s GLY 165 CO 0.71 1.13 -0.06 0.14 0.00 0.00 0.00 173.10 175.02 1b94 s VAL 166 N -0.89 0.63 0.11 1.40 1.01 -1.26 -1.31 120.40 120.09 1b94 s VAL 166 Ca -0.07 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1b94 s VAL 166 Cb -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1b94 s VAL 166 CO 0.06 0.23 -0.25 -0.54 0.00 0.00 0.00 175.10 174.60 1b94 s LYS 167 N 0.55 1.37 0.03 2.72 1.02 0.72 -4.97 119.74 121.18 1b94 s LYS 167 Ca -0.08 -1.25 0.04 0.00 0.02 0.00 0.00 55.97 54.69 1b94 s LYS 167 Cb -0.11 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.42 1b94 s LYS 167 CO 0.01 0.42 -0.11 0.54 -0.92 0.00 0.00 175.35 175.29 1b94 s VAL 168 N -1.04 0.85 0.08 3.17 0.11 -1.26 -0.85 120.40 121.46 1b94 s VAL 168 Ca 0.11 -0.83 -0.03 0.00 -2.93 0.00 0.00 61.98 58.31 1b94 s VAL 168 Cb -0.10 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1b94 s VAL 168 CO 0.05 -0.03 0.06 0.72 -3.33 0.00 0.00 175.10 172.57 1b94 s PHE 169 N -0.77 0.48 -0.14 1.54 -0.12 -0.31 -4.94 117.98 113.72 1b94 s PHE 169 Ca -0.00 -0.96 0.01 0.00 -0.05 0.00 0.00 56.93 55.93 1b94 s PHE 169 Cb -0.07 -0.30 0.02 0.00 -0.63 0.00 0.00 43.02 42.03 1b94 s PHE 169 CO 0.01 -0.46 -0.17 -1.17 -0.05 0.00 0.00 175.22 173.37 1b94 s LEU 170 N -2.93 1.86 0.06 -1.99 0.20 -1.26 -1.52 118.68 113.10 1b94 s LEU 170 Ca 0.10 -0.52 -0.08 0.00 0.69 0.00 0.00 54.13 54.32 1b94 s LEU 170 Cb 0.07 -1.26 -0.00 0.00 -0.43 0.00 0.00 46.19 44.57 1b94 s LEU 170 CO -0.08 0.01 0.17 -1.58 -0.29 0.00 0.00 176.35 174.58 1b94 s GLN 171 N 1.14 0.73 0.47 1.98 2.00 -0.79 -4.96 119.66 120.24 1b94 s GLN 171 Ca -0.02 -0.79 -0.22 0.00 -2.00 0.00 0.00 55.36 52.33 1b94 s GLN 171 Cb -0.14 0.30 -0.07 0.00 0.80 0.00 0.00 33.01 33.90 1b94 s GLN 171 CO -0.06 -0.21 1.17 -0.51 -0.50 0.00 0.00 175.29 175.17 1b94 s ASP 172 N -2.41 6.08 0.15 6.67 1.01 -1.26 -0.92 116.67 125.98 1b94 s ASP 172 Ca -0.01 2.31 -0.16 0.00 0.71 0.00 0.00 52.55 55.40 1b94 s ASP 172 Cb 0.02 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1b94 s ASP 172 CO -0.07 -0.98 1.80 0.50 0.21 0.00 0.00 175.17 176.63 1b94 h LYS 173 N 1.91 0.55 -0.72 8.23 3.64 -1.45 -2.97 116.57 125.77 1b94 h LYS 173 Ca -0.49 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1b94 h LYS 173 Cb 1.25 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1b94 h LYS 173 CO 0.60 0.38 0.41 0.11 -2.27 0.00 0.00 179.45 178.68 1b94 h TRP 174 N 0.55 0.95 -0.47 1.91 5.08 -1.92 -2.30 115.95 119.75 1b94 h TRP 174 Ca 0.15 -0.01 -0.08 0.00 1.08 0.00 0.00 58.89 60.03 1b94 h TRP 174 Cb -0.04 -0.31 -0.02 0.00 -3.00 0.00 0.00 29.16 25.79 1b94 h TRP 174 CO -0.04 0.65 -0.04 0.28 -1.28 0.00 0.00 178.44 178.01 1b94 h VAL 175 N 0.99 1.25 -0.37 0.12 2.07 -1.91 -3.03 116.25 115.36 1b94 h VAL 175 Ca 0.26 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1b94 h VAL 175 Cb -0.01 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1b94 h VAL 175 CO -0.05 0.38 0.00 2.30 0.02 0.00 0.00 177.57 180.22 1b94 n ILE 176 N -4.19 0.47 -2.12 4.57 -5.35 -1.05 -3.72 119.36 107.97 1b94 n ILE 176 Ca 0.02 -0.70 -0.41 0.00 -0.27 0.00 0.00 62.75 61.39 1b94 n ILE 176 Cb 0.33 0.91 -0.02 0.00 -1.74 0.00 0.00 39.64 39.12 1b94 n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b94 s ALA 177 N -1.53 3.50 0.00 -1.28 0.00 -0.89 -0.58 121.76 120.98 1b94 s ALA 177 Ca 0.38 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1b94 s ALA 177 Cb 0.22 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1b94 s ALA 177 CO 0.31 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1b94 n GLY 178 N 0.82 3.36 0.34 0.00 0.00 0.19 -4.33 105.19 105.57 1b94 n GLY 178 Ca 0.00 -2.15 0.03 0.00 0.00 0.00 0.00 46.02 43.91 1b94 n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b94 n ASP 179 N -1.66 2.12 -4.42 1.61 5.75 -1.26 -4.78 116.55 113.90 1b94 n ASP 179 Ca 0.00 -1.68 -0.33 0.00 -0.01 0.00 0.00 54.79 52.77 1b94 n ASP 179 Cb 0.00 -0.08 -0.14 0.00 -1.03 0.00 0.00 41.12 39.87 1b94 n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1b94 s LEU 180 N -0.81 2.61 0.36 -2.12 1.43 -1.26 -4.58 118.68 114.31 1b94 s LEU 180 Ca 0.11 -0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 52.69 1b94 s LEU 180 Cb 0.07 -1.53 -0.13 0.00 0.03 0.00 0.00 46.19 44.63 1b94 s LEU 180 CO 0.09 0.29 0.78 0.00 0.23 0.00 0.00 176.35 177.75 1b94 n ALA 181 N 2.65 -0.88 0.31 4.21 0.00 -1.26 -2.49 120.51 123.05 1b94 n ALA 181 Ca -0.17 0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1b94 n ALA 181 Cb 0.52 -1.90 0.13 0.00 0.00 0.00 0.00 19.45 18.20 1b94 n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1b94 h GLY 182 N 1.32 0.00 -3.32 0.00 0.00 0.12 -3.40 103.07 97.80 1b94 h GLY 182 Ca -0.40 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1b94 h GLY 182 CO 0.56 0.00 -0.03 -1.35 0.00 0.00 0.00 176.54 175.72 1b94 s SER 183 N -5.19 -0.32 0.00 0.19 1.04 -1.21 -4.88 113.70 103.33 1b94 s SER 183 Ca 0.04 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1b94 s SER 183 Cb 0.10 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1b94 s SER 183 CO 0.72 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1b94 n GLY 184 N 0.04 -0.09 0.32 7.32 0.00 -1.26 -3.53 105.19 107.99 1b94 n GLY 184 Ca -0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.02 1b94 n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1b94 h ASN 185 N 0.00 0.00 -0.39 1.61 7.08 -2.01 -1.48 115.58 120.40 1b94 h ASN 185 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1b94 h ASN 185 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1b94 h ASN 185 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.70 1b94 n THR 186 N -3.60 1.94 -3.71 6.14 -2.24 -1.26 -5.02 114.28 106.52 1b94 n THR 186 Ca -0.02 -1.49 -0.26 0.00 -2.27 0.00 0.00 64.05 60.00 1b94 n THR 186 Cb 0.14 -0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.38 1b94 n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1b94 n THR 187 N 0.16 -2.44 -4.14 4.28 -2.24 -0.56 -4.77 114.28 104.57 1b94 n THR 187 Ca 0.20 -0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.49 1b94 n THR 187 Cb 0.81 -2.14 -0.08 0.00 -2.10 0.00 0.00 70.33 66.82 1b94 n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1b94 s ASN 188 N -3.12 5.64 0.31 3.42 0.02 -1.23 -1.71 114.94 118.27 1b94 s ASN 188 Ca 0.13 0.18 -0.30 0.00 -1.02 0.00 0.00 52.86 51.85 1b94 s ASN 188 Cb -0.07 -1.64 -0.11 0.00 0.02 0.00 0.00 41.25 39.45 1b94 s ASN 188 CO 0.75 0.31 1.58 -0.38 0.02 0.00 0.00 177.10 179.39 1b94 n ILE 189 N 1.50 1.19 -3.43 0.60 5.41 1.00 0.65 119.36 126.29 1b94 n ILE 189 Ca -0.15 -0.30 -0.33 0.00 1.00 0.00 0.00 62.75 62.97 1b94 n ILE 189 Cb 0.53 -1.98 -0.05 0.00 -0.71 0.00 0.00 39.64 37.43 1b94 n ILE 189 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1b94 s GLY 190 N 0.39 2.32 0.82 7.39 0.00 -1.04 -0.96 107.32 116.25 1b94 s GLY 190 Ca 0.62 -0.26 -0.06 0.00 0.00 0.00 0.00 44.72 45.01 1b94 s GLY 190 CO 0.51 -0.09 1.13 -1.35 0.00 0.00 0.00 173.10 173.30 1b94 s SER 191 N -2.17 3.84 0.90 1.64 1.04 -0.75 -0.64 113.70 117.55 1b94 s SER 191 Ca 0.44 -0.15 -0.11 0.00 0.48 0.00 0.00 55.95 56.60 1b94 s SER 191 Cb -0.12 -0.07 0.13 0.00 0.10 0.00 0.00 66.02 66.06 1b94 s SER 191 CO 0.21 -2.22 1.09 0.27 0.98 0.00 0.00 173.24 173.57 1b94 s ILE 192 N -3.44 2.62 -0.45 -1.02 -4.36 0.25 -3.98 121.20 110.82 1b94 s ILE 192 Ca 0.70 0.20 -0.07 0.00 -0.26 0.00 0.00 60.65 61.22 1b94 s ILE 192 Cb -0.04 -2.55 0.12 0.00 1.25 0.00 0.00 42.46 41.23 1b94 s ILE 192 CO 0.48 -0.26 0.29 -2.28 0.24 0.00 0.00 174.94 173.41 1b94 s HIS 193 N -2.82 3.50 0.31 1.37 5.65 -1.26 -4.54 115.29 117.50 1b94 s HIS 193 Ca 0.64 -2.11 -0.16 0.00 0.25 0.00 0.00 55.06 53.68 1b94 s HIS 193 Cb -0.19 -3.39 0.02 0.00 -1.18 0.00 0.00 32.58 27.84 1b94 s HIS 193 CO 0.58 -0.98 0.67 0.00 -0.65 0.00 0.00 174.74 174.36 1b94 s ALA 194 N 1.24 -0.69 0.90 1.58 0.00 -0.90 -4.89 121.76 119.01 1b94 s ALA 194 Ca 0.07 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 1b94 s ALA 194 Cb -0.25 0.87 0.13 0.00 0.00 0.00 0.00 23.12 23.87 1b94 s ALA 194 CO -0.02 -0.96 1.10 -1.01 0.00 0.00 0.00 175.76 174.87 1b94 s HIS 195 N -3.34 2.05 0.28 0.00 3.76 -1.26 -1.24 115.29 115.54 1b94 s HIS 195 Ca 0.17 1.51 -0.02 0.00 -0.15 0.00 0.00 55.06 56.57 1b94 s HIS 195 Cb -0.04 -3.18 0.44 0.00 1.11 0.00 0.00 32.58 30.91 1b94 s HIS 195 CO 0.10 -2.54 1.90 -0.92 -0.85 0.00 0.00 174.74 172.42 1b94 h TYR 196 N -1.67 1.16 -0.10 1.40 3.20 -1.94 -2.33 116.97 116.69 1b94 h TYR 196 Ca -0.47 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 1b94 h TYR 196 Cb 1.27 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1b94 h TYR 196 CO 0.47 0.61 -0.04 1.57 -1.64 0.00 0.00 178.16 179.14 1b94 h LYS 197 N 1.15 0.14 -0.44 1.82 2.10 -1.99 -2.38 116.57 116.96 1b94 h LYS 197 Ca 0.42 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 59.04 1b94 h LYS 197 Cb 0.15 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.44 1b94 h LYS 197 CO -0.16 0.20 0.26 -0.44 -2.00 0.00 0.00 179.45 177.31 1b94 h ASP 198 N 0.14 0.52 -0.01 7.07 5.19 -1.78 0.99 116.42 128.53 1b94 h ASP 198 Ca 0.03 -0.02 -0.22 0.00 -0.62 0.00 0.00 57.03 56.20 1b94 h ASP 198 Cb 0.17 -0.13 0.02 0.00 0.18 0.00 0.00 39.33 39.56 1b94 h ASP 198 CO 0.01 0.40 -0.84 -0.26 -3.12 0.00 0.00 179.24 175.43 1b94 h PHE 199 N 0.60 0.88 -0.26 4.55 -1.00 -1.52 0.70 116.94 120.89 1b94 h PHE 199 Ca 0.16 -0.47 -0.00 0.00 2.81 0.00 0.00 57.97 60.47 1b94 h PHE 199 Cb -0.02 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 1b94 h PHE 199 CO 0.00 1.29 0.15 0.28 -1.61 0.00 0.00 178.31 178.42 1b94 h VAL 200 N 0.21 1.11 0.00 -0.55 2.07 -1.37 -2.94 116.25 114.78 1b94 h VAL 200 Ca -0.10 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1b94 h VAL 200 Cb 1.52 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1b94 h VAL 200 CO 0.17 0.11 -0.05 -0.33 0.02 0.00 0.00 177.57 177.49 1b94 h GLU 201 N 0.31 0.00 -1.68 1.57 5.08 -0.87 -3.48 114.58 115.51 1b94 h GLU 201 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1b94 h GLU 201 Cb 0.05 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.32 1b94 h GLU 201 CO -0.02 0.05 -0.07 0.41 -1.00 0.00 0.00 179.01 178.38 1b94 n GLY 202 N 0.75 0.71 3.39 -3.84 0.00 0.14 -4.98 105.19 101.37 1b94 n GLY 202 Ca 0.03 -0.55 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 1b94 n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b94 s LYS 203 N -4.94 4.10 0.00 1.61 1.02 -0.60 -4.94 119.74 115.98 1b94 s LYS 203 Ca 0.05 -2.88 0.00 0.00 0.02 0.00 0.00 55.97 53.16 1b94 s LYS 203 Cb -0.02 -4.76 0.00 0.00 -0.52 0.00 0.00 37.83 32.53 1b94 s LYS 203 CO 0.08 -1.46 0.00 0.41 -0.92 0.00 0.00 175.35 173.45 1b94 n GLY 204 N 3.42 1.43 0.00 -3.33 0.00 -1.24 -4.90 105.19 100.57 1b94 n GLY 204 Ca 0.28 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1b94 n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b94 n ILE 205 N 0.00 0.00 -2.77 -0.61 -5.35 -1.26 -5.05 119.36 104.32 1b94 n ILE 205 Ca 0.00 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.11 1b94 n ILE 205 Cb 0.00 0.20 -0.06 0.00 -1.74 0.00 0.00 39.64 38.03 1b94 n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1b94 s PHE 206 N -1.54 3.66 -0.43 4.28 0.08 -1.26 -4.96 117.98 117.81 1b94 s PHE 206 Ca 0.00 1.77 0.23 0.00 0.12 0.00 0.00 56.93 59.05 1b94 s PHE 206 Cb 0.00 -2.93 0.30 0.00 -0.57 0.00 0.00 43.02 39.82 1b94 s PHE 206 CO 0.00 0.16 1.45 -0.44 -0.10 0.00 0.00 175.22 176.30 1b94 h ASP 207 N 3.10 0.00 -5.25 1.36 3.32 -1.96 -3.48 116.42 113.51 1b94 h ASP 207 Ca -0.47 -0.02 0.15 0.00 0.02 0.00 0.00 57.03 56.72 1b94 h ASP 207 Cb 1.19 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 1b94 h ASP 207 CO 0.65 0.01 0.42 -0.94 -1.72 0.00 0.00 179.24 177.66 1b94 s SER 208 N -5.64 -0.19 0.24 6.45 1.04 -1.26 -5.00 113.70 109.34 1b94 s SER 208 Ca 0.05 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.06 1b94 s SER 208 Cb 0.08 0.55 0.26 0.00 0.10 0.00 0.00 66.02 67.01 1b94 s SER 208 CO 0.70 -1.01 1.57 -0.08 0.98 0.00 0.00 173.24 175.40 1b94 h GLU 209 N 2.00 0.28 -0.40 4.02 4.81 -1.93 -1.20 114.58 122.17 1b94 h GLU 209 Ca -0.23 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1b94 h GLU 209 Cb 1.23 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 1b94 h GLU 209 CO 0.25 0.77 0.26 0.22 -0.73 0.00 0.00 179.01 179.78 1b94 h ASP 210 N 0.22 0.47 -0.35 1.04 3.58 -1.99 -0.78 116.42 118.60 1b94 h ASP 210 Ca 0.00 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 1b94 h ASP 210 Cb 1.06 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 1b94 h ASP 210 CO 0.09 0.34 0.08 -0.08 -2.88 0.00 0.00 179.24 176.79 1b94 h GLU 211 N 0.54 0.56 -0.10 0.28 4.81 -1.84 -1.51 114.58 117.32 1b94 h GLU 211 Ca 0.15 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1b94 h GLU 211 Cb -0.05 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 1b94 h GLU 211 CO -0.03 0.61 -0.18 0.35 -0.73 0.00 0.00 179.01 179.03 1b94 h PHE 212 N 0.41 -0.46 -0.35 0.92 3.57 -1.07 -0.38 116.94 119.58 1b94 h PHE 212 Ca 0.11 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1b94 h PHE 212 Cb 0.31 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1b94 h PHE 212 CO 0.02 -0.25 0.22 -0.07 -2.23 0.00 0.00 178.31 175.99 1b94 h LEU 213 N -0.24 0.42 -0.58 0.59 3.38 -1.05 -2.31 115.31 115.51 1b94 h LEU 213 Ca 0.09 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1b94 h LEU 213 Cb 0.36 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1b94 h LEU 213 CO -0.24 0.33 0.22 -0.78 0.09 0.00 0.00 178.44 178.07 1b94 h ASP 214 N 0.46 0.81 0.36 -0.43 3.58 -1.09 0.11 116.42 120.23 1b94 h ASP 214 Ca 0.13 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1b94 h ASP 214 Cb -0.01 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.80 1b94 h ASP 214 CO -0.02 0.77 -0.39 0.22 -2.88 0.00 0.00 179.24 176.93 1b94 h TYR 215 N 0.81 -1.08 0.00 0.28 5.03 -0.89 -2.97 116.97 118.16 1b94 h TYR 215 Ca 0.19 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.46 1b94 h TYR 215 Cb 0.22 0.42 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1b94 h TYR 215 CO 0.01 -0.54 -0.27 -1.49 -1.32 0.00 0.00 178.16 174.55 1b94 h TRP 216 N -0.78 0.00 0.00 -3.82 4.06 -1.26 -2.08 115.95 112.07 1b94 h TRP 216 Ca -0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1b94 h TRP 216 Cb 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 1b94 h TRP 216 CO -0.23 0.27 0.00 0.00 -3.56 0.00 0.00 178.44 174.91 1b94 h ARG 217 N 0.00 0.00 0.00 0.49 3.08 -0.88 -3.23 114.38 113.84 1b94 h ARG 217 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b94 h ARG 217 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1b94 h ARG 217 CO 0.03 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.02 1b94 n ASN 218 N -3.05 1.23 -4.70 7.04 3.02 -1.13 -5.03 115.26 112.64 1b94 n ASN 218 Ca 0.01 -1.26 -0.42 0.00 -0.03 0.00 0.00 54.58 52.88 1b94 n ASN 218 Cb 0.33 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 1b94 n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b94 s TYR 219 N -0.26 2.93 0.44 3.10 5.04 -0.79 -4.99 117.35 122.81 1b94 s TYR 219 Ca 0.00 0.69 -0.21 0.00 -2.44 0.00 0.00 57.07 55.11 1b94 s TYR 219 Cb 0.00 -3.81 -0.10 0.00 0.35 0.00 0.00 41.96 38.39 1b94 s TYR 219 CO 0.00 -3.04 0.98 -1.21 -1.34 0.00 0.00 175.55 170.94 1b94 s GLU 220 N 1.72 4.12 0.41 4.97 0.41 -1.26 -4.99 118.70 124.08 1b94 s GLU 220 Ca 0.68 1.20 0.21 0.00 -0.41 0.00 0.00 54.97 56.65 1b94 s GLU 220 Cb -0.38 -2.18 0.82 0.00 -1.78 0.00 0.00 34.13 30.60 1b94 s GLU 220 CO 0.30 -0.13 1.79 0.00 -0.49 0.00 0.00 175.26 176.74 1b94 h ARG 221 N 1.87 0.00 -5.42 1.61 3.08 -1.97 -3.44 114.38 110.11 1b94 h ARG 221 Ca -0.49 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.09 1b94 h ARG 221 Cb 1.19 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.10 1b94 h ARG 221 CO 0.61 0.31 -0.67 0.95 -1.07 0.00 0.00 179.97 180.09 1b94 s THR 222 N -3.70 1.52 0.24 2.04 -4.23 -1.26 -5.02 115.64 105.23 1b94 s THR 222 Ca -0.00 -2.11 -0.06 0.00 -1.18 0.00 0.00 61.69 58.34 1b94 s THR 222 Cb 0.11 -2.41 0.21 0.00 1.34 0.00 0.00 72.50 71.75 1b94 s THR 222 CO 0.66 -0.32 1.85 0.28 -0.54 0.00 0.00 174.62 176.55 1b94 h SER 223 N 2.33 0.81 -0.21 3.99 0.02 -1.98 -0.95 113.55 117.56 1b94 h SER 223 Ca -0.40 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.62 1b94 h SER 223 Cb 1.23 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.56 1b94 h SER 223 CO 0.66 0.52 -0.13 -0.61 -1.14 0.00 0.00 176.83 176.14 1b94 h GLN 224 N 0.95 -0.11 -0.24 3.45 4.15 -1.98 0.13 115.11 121.47 1b94 h GLN 224 Ca 0.37 0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.62 1b94 h GLN 224 Cb 0.17 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1b94 h GLN 224 CO -0.17 -0.07 -0.53 -0.07 -1.93 0.00 0.00 178.83 176.05 1b94 h LEU 225 N -0.11 0.77 -1.04 -2.39 3.38 -1.88 -3.25 115.31 110.79 1b94 h LEU 225 Ca 0.12 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1b94 h LEU 225 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1b94 h LEU 225 CO -0.28 1.15 -0.41 0.03 0.09 0.00 0.00 178.44 179.02 1b94 h ARG 226 N 0.54 0.14 0.00 1.13 3.08 -0.78 -3.01 114.38 115.48 1b94 h ARG 226 Ca 0.01 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1b94 h ARG 226 Cb 1.10 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 1b94 h ARG 226 CO 0.11 0.53 -0.00 -0.91 -1.07 0.00 0.00 179.97 178.63 1b94 h ASN 227 N 0.12 0.00 -0.54 7.04 4.21 -1.01 0.52 115.58 125.92 1b94 h ASN 227 Ca 0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.52 1b94 h ASN 227 Cb 0.78 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.98 1b94 h ASN 227 CO 0.06 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.67 1b94 n ASP 228 N -3.10 3.37 0.00 5.81 8.00 -1.14 -4.85 116.55 124.65 1b94 n ASP 228 Ca -0.02 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1b94 n ASP 228 Cb 0.12 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1b94 n ASP 228 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1b94 n LYS 229 N 1.37 0.00 -3.58 -1.24 4.81 0.03 -5.09 118.16 114.46 1b94 n LYS 229 Ca 0.21 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.51 1b94 n LYS 229 Cb 0.56 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.54 1b94 n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1b94 s TYR 230 N 0.00 -0.58 -0.20 5.64 -0.85 -0.36 -4.75 117.35 116.25 1b94 s TYR 230 Ca 0.00 1.18 0.06 0.00 -0.52 0.00 0.00 57.07 57.78 1b94 s TYR 230 Cb 0.00 0.38 -0.07 0.00 0.38 0.00 0.00 41.96 42.65 1b94 s TYR 230 CO 0.00 -0.43 0.21 0.09 -1.52 0.00 0.00 175.55 173.90 1b94 n ASN 231 N 1.46 1.18 -3.42 -0.18 3.02 -1.26 -4.72 115.26 111.35 1b94 n ASN 231 Ca -0.15 -0.46 -0.06 0.00 -0.03 0.00 0.00 54.58 53.88 1b94 n ASN 231 Cb 0.57 1.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.81 1b94 n ASN 231 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1b94 s ASN 232 N -1.84 -0.10 0.29 6.41 2.20 -1.26 -4.79 114.94 115.84 1b94 s ASN 232 Ca 0.01 -0.78 0.00 0.00 -0.94 0.00 0.00 52.86 51.15 1b94 s ASN 232 Cb 0.04 0.69 0.44 0.00 -2.00 0.00 0.00 41.25 40.42 1b94 s ASN 232 CO 0.24 -1.34 1.81 -0.29 -2.94 0.00 0.00 177.10 174.58 1b94 h ILE 233 N 2.00 1.22 -0.36 0.54 6.09 -1.98 0.19 117.51 125.22 1b94 h ILE 233 Ca -0.26 -0.89 -0.03 0.00 -1.37 0.00 0.00 64.86 62.32 1b94 h ILE 233 Cb 1.24 0.85 -0.02 0.00 0.47 0.00 0.00 36.82 39.36 1b94 h ILE 233 CO 0.32 0.31 0.12 0.28 -3.07 0.00 0.00 178.15 176.12 1b94 h SER 234 N 0.68 0.51 0.27 2.19 0.02 -1.99 -0.34 113.55 114.89 1b94 h SER 234 Ca 0.14 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 1b94 h SER 234 Cb 0.37 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1b94 h SER 234 CO 0.01 0.56 -0.39 -0.33 -1.14 0.00 0.00 176.83 175.55 1b94 h GLU 235 N 0.42 0.16 -0.40 3.45 5.08 -1.83 -1.93 114.58 119.53 1b94 h GLU 235 Ca 0.12 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1b94 h GLU 235 Cb 0.23 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1b94 h GLU 235 CO -0.01 0.53 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.61 1b94 h TYR 236 N 0.14 0.77 -0.34 4.33 3.20 -0.15 -0.97 116.97 123.94 1b94 h TYR 236 Ca 0.01 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.70 1b94 h TYR 236 Cb 0.75 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1b94 h TYR 236 CO 0.01 0.78 0.02 0.00 -1.64 0.00 0.00 178.16 177.33 1b94 h ARG 237 N 0.53 0.52 -0.37 1.82 3.08 -0.63 -0.29 114.38 119.04 1b94 h ARG 237 Ca 0.11 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1b94 h ARG 237 Cb 0.48 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1b94 h ARG 237 CO 0.02 0.53 -0.18 -0.97 -1.07 0.00 0.00 179.97 178.31 1b94 h ASN 238 N 0.51 0.69 -0.61 7.04 -0.73 -1.27 -1.68 115.58 119.54 1b94 h ASN 238 Ca 0.11 -0.22 -0.05 0.00 1.87 0.00 0.00 56.30 58.00 1b94 h ASN 238 Cb 0.29 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 1b94 h ASN 238 CO 0.01 0.87 0.19 -0.25 -0.37 0.00 0.00 177.43 177.88 1b94 h TRP 239 N 0.62 1.01 -0.18 0.67 7.01 -0.58 -0.21 115.95 124.29 1b94 h TRP 239 Ca 0.10 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1b94 h TRP 239 Cb 0.65 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 1b94 h TRP 239 CO 0.03 0.82 0.06 0.82 -2.79 0.00 0.00 178.44 177.38 1b94 h ILE 240 N 0.95 1.18 -0.86 2.65 1.08 -0.82 -0.67 117.51 121.02 1b94 h ILE 240 Ca 0.21 -0.57 0.05 0.00 -0.39 0.00 0.00 64.86 64.16 1b94 h ILE 240 Cb 0.29 1.21 -0.06 0.00 -3.07 0.00 0.00 36.82 35.20 1b94 h ILE 240 CO -0.01 0.18 0.54 0.22 -0.69 0.00 0.00 178.15 178.39 1b94 h TYR 241 N 0.12 1.01 0.00 1.37 3.20 -0.48 -0.92 116.97 121.27 1b94 h TYR 241 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1b94 h TYR 241 Cb 0.22 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1b94 h TYR 241 CO -0.00 0.54 0.00 0.54 -1.64 0.00 0.00 178.16 177.60 1b94 n ARG 242 N -4.59 0.01 -0.41 1.82 1.74 -0.17 -4.83 116.66 110.23 1b94 n ARG 242 Ca 0.12 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1b94 n ARG 242 Cb 0.14 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1b94 n ARG 242 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b94 n GLY 243 N -0.56 1.21 3.70 -0.13 0.00 -0.35 -4.46 105.19 104.59 1b94 n GLY 243 Ca 0.02 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1b94 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b94 n ARG 244 N -0.36 -4.33 0.00 1.61 1.74 -0.27 -5.03 116.66 110.01 1b94 n ARG 244 Ca 0.00 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 1b94 n ARG 244 Cb 0.09 -5.06 0.00 0.00 -1.02 0.00 0.00 32.46 26.47 1b94 n ARG 244 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47