#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b95 h LEU 3 N 0.00 0.40 -0.25 1.04 5.85 -1.99 -2.04 115.31 118.32 1b95 h LEU 3 Ca 0.00 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1b95 h LEU 3 Cb 0.00 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1b95 h LEU 3 CO 0.00 0.45 0.15 -0.09 -0.34 0.00 0.00 178.44 178.61 1b95 h ARG 4 N 0.33 0.29 -0.22 1.25 2.43 -2.00 0.16 114.38 116.62 1b95 h ARG 4 Ca 0.10 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1b95 h ARG 4 Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1b95 h ARG 4 CO -0.01 0.19 0.05 0.66 -1.51 0.00 0.00 179.97 179.36 1b95 h SER 5 N 0.30 0.33 -0.44 -3.80 4.64 -1.99 -2.13 113.55 110.47 1b95 h SER 5 Ca 0.10 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1b95 h SER 5 Cb -0.00 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1b95 h SER 5 CO -0.05 0.47 0.27 0.44 -0.87 0.00 0.00 176.83 177.10 1b95 h ASP 6 N 0.17 0.46 0.08 4.97 3.32 -1.19 -0.46 116.42 123.77 1b95 h ASP 6 Ca 0.07 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.12 1b95 h ASP 6 Cb 0.27 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1b95 h ASP 6 CO 0.00 0.33 -0.14 0.25 -1.72 0.00 0.00 179.24 177.96 1b95 h LEU 7 N 0.55 -0.37 -0.78 1.55 5.85 -0.63 -1.82 115.31 119.65 1b95 h LEU 7 Ca 0.17 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1b95 h LEU 7 Cb -0.03 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1b95 h LEU 7 CO -0.06 -0.20 0.28 -0.29 -0.34 0.00 0.00 178.44 177.83 1b95 h ILE 8 N -0.27 1.26 -0.67 4.05 6.09 -1.22 -1.45 117.51 125.29 1b95 h ILE 8 Ca 0.02 -0.87 0.04 0.00 -1.37 0.00 0.00 64.86 62.68 1b95 h ILE 8 Cb 0.29 0.37 -0.05 0.00 0.47 0.00 0.00 36.82 37.90 1b95 h ILE 8 CO -0.07 0.35 0.40 0.78 -3.07 0.00 0.00 178.15 176.54 1b95 h ASN 9 N 1.15 0.64 -0.32 2.19 4.21 -0.92 -0.62 115.58 121.91 1b95 h ASN 9 Ca 0.26 0.01 -0.15 0.00 1.21 0.00 0.00 56.30 57.62 1b95 h ASN 9 Cb 0.26 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1b95 h ASN 9 CO -0.01 0.43 -0.39 0.00 -1.29 0.00 0.00 177.43 176.17 1b95 h ALA 10 N 1.31 0.47 -0.18 -0.83 0.00 -1.05 -1.05 119.26 117.94 1b95 h ALA 10 Ca 0.28 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1b95 h ALA 10 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1b95 h ALA 10 CO -0.13 0.58 0.12 -0.07 0.00 0.00 0.00 179.25 179.75 1b95 h LEU 11 N 0.60 0.21 -1.04 0.00 3.38 -1.05 0.75 115.31 118.16 1b95 h LEU 11 Ca 0.04 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1b95 h LEU 11 Cb 0.98 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1b95 h LEU 11 CO 0.09 0.15 0.22 0.22 0.09 0.00 0.00 178.44 179.22 1b95 h TYR 12 N 0.25 0.92 -0.02 1.13 3.20 -1.11 -0.20 116.97 121.14 1b95 h TYR 12 Ca 0.07 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1b95 h TYR 12 Cb -0.03 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 37.96 1b95 h TYR 12 CO -0.07 0.72 -0.03 0.22 -1.64 0.00 0.00 178.16 177.36 1b95 h ASP 13 N 0.89 0.07 -0.64 -2.11 3.58 -0.79 -2.93 116.42 114.48 1b95 h ASP 13 Ca 0.21 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 1b95 h ASP 13 Cb 0.21 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1b95 h ASP 13 CO -0.02 0.60 0.37 -0.08 -2.88 0.00 0.00 179.24 177.24 1b95 h GLU 14 N -0.47 0.90 -0.51 0.28 4.57 -0.76 -2.54 114.58 116.06 1b95 h GLU 14 Ca 0.00 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1b95 h GLU 14 Cb 0.59 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1b95 h GLU 14 CO 0.01 0.66 0.26 -0.97 -1.18 0.00 0.00 179.01 177.78 1b95 h ASN 15 N 0.92 0.65 0.56 1.04 -1.24 -1.07 -1.50 115.58 114.93 1b95 h ASN 15 Ca 0.24 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1b95 h ASN 15 Cb 0.01 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.89 1b95 h ASN 15 CO -0.04 0.58 0.00 0.00 -1.29 0.00 0.00 177.43 176.68 1b95 n GLN 16 N -4.62 0.40 -0.02 6.67 6.02 -0.98 -4.06 117.38 120.79 1b95 n GLN 16 Ca 0.02 0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 56.99 1b95 n GLN 16 Cb 0.10 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 1b95 n GLN 16 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1b95 n LYS 17 N -1.29 2.35 -4.14 -1.09 5.02 -1.06 -5.06 118.16 112.88 1b95 n LYS 17 Ca 0.14 0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 56.14 1b95 n LYS 17 Cb 0.24 -1.12 -0.08 0.00 -0.02 0.00 0.00 35.03 34.05 1b95 n LYS 17 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1b95 s TYR 18 N -2.11 2.96 -0.04 2.13 1.51 -0.58 -5.11 117.35 116.11 1b95 s TYR 18 Ca -0.04 -0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 55.96 1b95 s TYR 18 Cb 0.02 -1.50 0.03 0.00 -0.11 0.00 0.00 41.96 40.39 1b95 s TYR 18 CO 0.17 0.48 0.07 -0.51 -1.11 0.00 0.00 175.55 174.65 1b95 s ASP 19 N -2.44 0.37 0.28 2.29 1.01 -1.26 -4.73 116.67 112.20 1b95 s ASP 19 Ca 0.26 0.12 -0.29 0.00 0.71 0.00 0.00 52.55 53.34 1b95 s ASP 19 Cb -0.11 -0.02 -0.10 0.00 1.01 0.00 0.00 42.92 43.70 1b95 s ASP 19 CO 0.18 -0.17 1.10 -0.69 0.21 0.00 0.00 175.17 175.80 1b95 s VAL 20 N 1.47 3.49 -0.07 -1.27 1.01 -1.26 -4.97 120.40 118.80 1b95 s VAL 20 Ca -0.04 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.47 1b95 s VAL 20 Cb -0.12 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1b95 s VAL 20 CO -0.04 0.35 -0.00 0.00 0.00 0.00 0.00 175.10 175.41 1b95 n GLY 22 N 2.72 -1.90 3.82 0.00 0.00 -1.26 -3.78 105.19 104.79 1b95 n GLY 22 Ca -0.12 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 1b95 n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b95 s ILE 23 N -2.04 5.01 0.06 -0.61 -4.36 0.06 -4.87 121.20 114.46 1b95 s ILE 23 Ca 0.00 0.88 0.07 0.00 -0.26 0.00 0.00 60.65 61.34 1b95 s ILE 23 Cb 0.00 -3.74 -0.04 0.00 1.25 0.00 0.00 42.46 39.94 1b95 s ILE 23 CO 0.00 0.55 -0.14 -0.51 0.24 0.00 0.00 174.94 175.09 1b95 s ILE 24 N -0.92 3.11 0.58 8.37 2.07 -1.26 -0.15 121.20 132.99 1b95 s ILE 24 Ca 0.24 -1.19 0.06 0.00 -1.41 0.00 0.00 60.65 58.36 1b95 s ILE 24 Cb -0.17 -2.38 0.08 0.00 0.13 0.00 0.00 42.46 40.13 1b95 s ILE 24 CO 0.14 0.25 0.81 -0.94 -1.91 0.00 0.00 174.94 173.28 1b95 s SER 25 N -1.76 5.01 0.41 4.50 1.04 -0.24 -4.97 113.70 117.68 1b95 s SER 25 Ca 0.17 -0.59 0.21 0.00 0.48 0.00 0.00 55.95 56.22 1b95 s SER 25 Cb -0.11 -0.02 0.78 0.00 0.10 0.00 0.00 66.02 66.76 1b95 s SER 25 CO 0.09 -1.37 1.77 0.00 0.98 0.00 0.00 173.24 174.71 1b95 h ALA 26 N 0.06 1.00 -0.00 5.32 0.00 -2.01 -2.30 119.26 121.34 1b95 h ALA 26 Ca -0.34 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1b95 h ALA 26 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1b95 h ALA 26 CO 0.42 0.38 -0.14 0.39 0.00 0.00 0.00 179.25 180.29 1b95 n GLU 27 N -3.45 0.42 -0.23 0.00 4.71 -1.26 -4.93 120.64 115.90 1b95 n GLU 27 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.02 1b95 n GLU 27 Cb 0.48 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 1b95 n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b95 n GLY 28 N 1.36 0.74 3.74 0.62 0.00 -0.86 -5.07 105.19 105.71 1b95 n GLY 28 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1b95 n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b95 s LYS 29 N -0.77 4.70 -0.13 1.61 2.20 -1.26 -3.93 119.74 122.16 1b95 s LYS 29 Ca 0.00 1.41 -0.02 0.00 -0.36 0.00 0.00 55.97 56.99 1b95 s LYS 29 Cb 0.00 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 1b95 s LYS 29 CO 0.00 0.30 -0.05 0.42 -0.36 0.00 0.00 175.35 175.66 1b95 s ILE 30 N -0.30 3.80 -0.25 5.43 1.01 0.19 -1.08 121.20 129.99 1b95 s ILE 30 Ca 0.44 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 1b95 s ILE 30 Cb -0.24 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.61 1b95 s ILE 30 CO 0.29 0.52 -0.03 -0.31 0.00 0.00 0.00 174.94 175.41 1b95 s TYR 31 N 0.10 3.05 0.76 3.97 1.51 0.78 -0.28 117.35 127.24 1b95 s TYR 31 Ca -0.01 -1.30 -0.16 0.00 -1.01 0.00 0.00 57.07 54.59 1b95 s TYR 31 Cb -0.14 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.59 1b95 s TYR 31 CO 0.03 -0.66 0.62 -2.30 -1.11 0.00 0.00 175.55 172.13 1b95 n PRO 32 N 4.74 0.25 -2.71 -1.71 -0.02 -1.26 -0.76 135.00 133.53 1b95 n PRO 32 Ca -0.16 0.13 -0.27 0.00 -2.02 0.00 0.00 63.50 61.18 1b95 n PRO 32 Cb 0.48 -1.93 -0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1b95 n PRO 32 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1b95 s LEU 33 N -1.11 3.67 0.64 2.45 1.43 -1.25 -4.74 118.68 119.78 1b95 s LEU 33 Ca 0.66 0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 54.61 1b95 s LEU 33 Cb -0.33 -3.84 0.04 0.00 0.03 0.00 0.00 46.19 42.09 1b95 s LEU 33 CO 0.57 -0.54 0.94 -0.83 0.23 0.00 0.00 176.35 176.72 1b95 s GLY 34 N -4.04 1.68 0.00 -3.19 0.00 -1.26 -4.75 107.32 95.75 1b95 s GLY 34 Ca 0.47 -0.91 0.23 0.00 0.00 0.00 0.00 44.72 44.51 1b95 s GLY 34 CO 0.43 -0.57 1.44 -1.14 0.00 0.00 0.00 173.10 173.26 1b95 n SER 35 N -2.71 2.77 -4.86 1.64 3.41 -1.26 -4.74 113.62 107.87 1b95 n SER 35 Ca 0.07 -1.89 -0.22 0.00 -0.26 0.00 0.00 58.87 56.57 1b95 n SER 35 Cb 0.59 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1b95 n SER 35 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1b95 s ASP 36 N -1.66 4.85 0.33 4.04 -4.77 -1.26 -4.70 116.67 113.50 1b95 s ASP 36 Ca 0.35 -0.90 0.06 0.00 -3.30 0.00 0.00 52.55 48.76 1b95 s ASP 36 Cb 0.21 -0.35 0.59 0.00 -1.09 0.00 0.00 42.92 42.27 1b95 s ASP 36 CO 0.30 -0.73 1.81 0.74 0.70 0.00 0.00 175.17 177.99 1b95 h THR 37 N 1.04 1.23 -0.86 2.11 2.02 -1.97 -1.49 112.91 114.99 1b95 h THR 37 Ca -0.41 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 65.73 1b95 h THR 37 Cb 1.27 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 68.94 1b95 h THR 37 CO 0.59 0.34 0.56 0.50 0.37 0.00 0.00 175.52 177.88 1b95 h LYS 38 N 0.31 1.07 0.12 6.66 3.64 -1.99 0.34 116.57 126.72 1b95 h LYS 38 Ca 0.05 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1b95 h LYS 38 Cb 0.54 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1b95 h LYS 38 CO 0.04 0.70 -0.06 0.28 -2.27 0.00 0.00 179.45 178.14 1b95 h VAL 39 N 1.10 1.06 -0.32 2.00 2.07 -1.86 -3.25 116.25 117.04 1b95 h VAL 39 Ca 0.33 -1.11 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 1b95 h VAL 39 Cb -0.03 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1b95 h VAL 39 CO -0.10 0.25 -0.15 -0.07 0.02 0.00 0.00 177.57 177.51 1b95 h LEU 40 N -0.72 0.56 -0.32 2.57 3.38 -1.04 -1.62 115.31 118.11 1b95 h LEU 40 Ca -0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1b95 h LEU 40 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1b95 h LEU 40 CO 0.03 0.73 0.21 0.77 0.09 0.00 0.00 178.44 180.27 1b95 h SER 41 N 0.52 0.37 -0.12 -0.43 4.64 -0.47 0.12 113.55 118.18 1b95 h SER 41 Ca 0.09 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 1b95 h SER 41 Cb 0.56 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 1b95 h SER 41 CO 0.04 0.28 -0.10 0.74 -0.87 0.00 0.00 176.83 176.92 1b95 h THR 42 N 0.43 0.72 -0.25 2.95 2.02 -1.52 -0.84 112.91 116.42 1b95 h THR 42 Ca 0.12 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.32 1b95 h THR 42 Cb -0.04 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1b95 h THR 42 CO -0.02 0.00 0.11 0.40 0.37 0.00 0.00 175.52 176.38 1b95 h ILE 43 N -0.11 0.97 0.00 3.11 1.08 -0.85 -1.65 117.51 120.06 1b95 h ILE 43 Ca 0.08 -0.08 -0.05 0.00 -0.39 0.00 0.00 64.86 64.41 1b95 h ILE 43 Cb 0.22 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 1b95 h ILE 43 CO -0.19 0.04 -0.25 -0.26 -0.69 0.00 0.00 178.15 176.81 1b95 h PHE 44 N 0.24 0.00 -0.08 1.37 0.04 -0.58 0.17 116.94 118.10 1b95 h PHE 44 Ca 0.11 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1b95 h PHE 44 Cb 0.05 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 1b95 h PHE 44 CO -0.11 0.25 0.01 0.93 -0.60 0.00 0.00 178.31 178.80 1b95 h GLU 45 N 0.00 0.14 -0.36 1.51 4.39 -0.78 -2.28 114.58 117.20 1b95 h GLU 45 Ca -0.00 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1b95 h GLU 45 Cb 0.46 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1b95 h GLU 45 CO 0.03 0.36 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.06 1b95 h LEU 46 N -0.10 0.62 -0.95 1.33 3.38 -0.60 -2.63 115.31 116.36 1b95 h LEU 46 Ca 0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1b95 h LEU 46 Cb 0.29 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1b95 h LEU 46 CO 0.00 0.77 0.25 0.15 0.09 0.00 0.00 178.44 179.70 1b95 h PHE 47 N 0.58 1.03 0.00 1.13 3.57 -0.63 -3.14 116.94 119.47 1b95 h PHE 47 Ca 0.10 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1b95 h PHE 47 Cb 0.54 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1b95 h PHE 47 CO 0.02 0.80 -0.32 0.77 -2.23 0.00 0.00 178.31 177.35 1b95 h SER 48 N 0.99 0.00 -0.19 0.41 0.02 -1.12 -3.39 113.55 110.26 1b95 h SER 48 Ca 0.23 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.23 1b95 h SER 48 Cb 0.22 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.69 1b95 h SER 48 CO -0.02 0.32 -0.28 0.03 -1.14 0.00 0.00 176.83 175.75 1b95 h ARG 49 N 0.00 -0.30 -0.21 3.45 3.08 -1.42 -1.13 114.38 117.85 1b95 h ARG 49 Ca -0.00 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1b95 h ARG 49 Cb 1.19 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1b95 h ARG 49 CO 0.04 -0.20 -0.17 -1.00 -1.07 0.00 0.00 179.97 177.57 1b95 h PRO 50 N -0.31 0.35 0.11 0.04 0.13 -1.77 -1.75 132.00 128.79 1b95 h PRO 50 Ca 0.12 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1b95 h PRO 50 Cb 0.50 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1b95 h PRO 50 CO -0.37 0.52 -0.05 0.82 -0.23 0.00 0.00 178.00 178.69 1b95 h ILE 51 N 0.32 1.07 -0.43 -3.56 2.04 -1.66 -1.48 117.51 113.81 1b95 h ILE 51 Ca 0.06 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.29 1b95 h ILE 51 Cb 0.50 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 1b95 h ILE 51 CO 0.03 0.17 0.11 0.40 0.00 0.00 0.00 178.15 178.86 1b95 h ILE 52 N -0.47 0.80 -0.03 -0.67 2.04 -1.16 -0.99 117.51 117.02 1b95 h ILE 52 Ca -0.01 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1b95 h ILE 52 Cb 0.38 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1b95 h ILE 52 CO 0.02 0.05 0.02 -1.13 0.00 0.00 0.00 178.15 177.11 1b95 h ASN 53 N 0.25 0.03 0.19 1.72 -1.24 -1.28 -0.36 115.58 114.89 1b95 h ASN 53 Ca 0.21 -0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.23 1b95 h ASN 53 Cb 0.24 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 1b95 h ASN 53 CO -0.25 0.02 -0.50 0.50 -1.29 0.00 0.00 177.43 175.91 1b95 h LYS 54 N 0.04 -0.75 -0.47 6.67 3.64 -0.57 0.59 116.57 125.71 1b95 h LYS 54 Ca 0.01 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1b95 h LYS 54 Cb -0.00 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1b95 h LYS 54 CO -0.00 -0.50 0.29 0.82 -2.27 0.00 0.00 179.45 177.78 1b95 h ILE 55 N -0.78 1.07 -0.52 2.00 1.08 -1.15 -1.95 117.51 117.25 1b95 h ILE 55 Ca -0.01 -0.20 0.08 0.00 -0.39 0.00 0.00 64.86 64.34 1b95 h ILE 55 Cb 0.77 0.44 -0.07 0.00 -3.07 0.00 0.00 36.82 34.89 1b95 h ILE 55 CO -0.24 0.11 0.16 0.00 -0.69 0.00 0.00 178.15 177.49 1b95 h ALA 56 N 1.20 0.63 -0.61 1.87 0.00 -0.94 -2.13 119.26 119.29 1b95 h ALA 56 Ca 0.18 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1b95 h ALA 56 Cb -0.01 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1b95 h ALA 56 CO -0.07 -0.25 0.37 1.49 0.00 0.00 0.00 179.25 180.80 1b95 h GLU 57 N 0.32 0.72 -0.35 0.00 4.81 -0.31 0.60 114.58 120.36 1b95 h GLU 57 Ca 0.26 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.55 1b95 h GLU 57 Cb 0.32 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1b95 h GLU 57 CO -0.29 0.47 0.27 -0.22 -0.73 0.00 0.00 179.01 178.51 1b95 h LYS 58 N 0.74 0.00 -0.60 1.92 3.64 -0.70 0.21 116.57 121.78 1b95 h LYS 58 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1b95 h LYS 58 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1b95 h LYS 58 CO -0.10 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.80 1b95 n HIS 59 N -4.31 1.39 -1.28 1.91 8.25 -0.78 -4.95 115.22 115.45 1b95 n HIS 59 Ca 0.06 -0.63 -0.10 0.00 -0.26 0.00 0.00 57.72 56.79 1b95 n HIS 59 Cb 0.45 -0.24 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 1b95 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b95 n GLY 60 N 0.94 1.11 3.83 -1.41 0.00 0.06 -5.01 105.19 104.71 1b95 n GLY 60 Ca 0.25 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1b95 n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b95 s TYR 61 N -2.34 3.74 0.18 1.61 1.51 0.14 -4.59 117.35 117.60 1b95 s TYR 61 Ca 0.00 1.13 -0.23 0.00 -1.01 0.00 0.00 57.07 56.96 1b95 s TYR 61 Cb 0.00 -2.39 -0.08 0.00 -0.11 0.00 0.00 41.96 39.38 1b95 s TYR 61 CO 0.00 0.58 0.75 0.42 -1.11 0.00 0.00 175.55 176.19 1b95 s ILE 62 N -1.17 4.46 -0.18 2.71 1.01 0.13 -4.00 121.20 124.16 1b95 s ILE 62 Ca 0.29 1.54 -0.02 0.00 0.00 0.00 0.00 60.65 62.46 1b95 s ILE 62 Cb -0.18 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 1b95 s ILE 62 CO 0.17 0.42 -0.10 -0.69 0.00 0.00 0.00 174.94 174.74 1b95 s VAL 63 N -1.27 3.04 -0.05 2.92 1.01 -1.26 -1.43 120.40 123.36 1b95 s VAL 63 Ca 0.38 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1b95 s VAL 63 Cb -0.21 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1b95 s VAL 63 CO 0.24 0.48 -0.15 -1.61 0.00 0.00 0.00 175.10 174.06 1b95 s GLU 64 N 0.96 1.76 0.23 2.72 2.02 0.45 -4.96 118.70 121.88 1b95 s GLU 64 Ca -0.02 -0.52 0.06 0.00 0.02 0.00 0.00 54.97 54.51 1b95 s GLU 64 Cb -0.15 -1.48 -0.03 0.00 0.10 0.00 0.00 34.13 32.57 1b95 s GLU 64 CO -0.01 0.14 0.23 -1.21 0.02 0.00 0.00 175.26 174.43 1b95 s GLU 65 N 0.31 3.07 0.31 1.61 2.02 -1.26 -0.56 118.70 124.19 1b95 s GLU 65 Ca -0.09 -0.92 -0.29 0.00 0.02 0.00 0.00 54.97 53.68 1b95 s GLU 65 Cb -0.13 -2.68 -0.13 0.00 0.10 0.00 0.00 34.13 31.29 1b95 s GLU 65 CO 0.03 0.43 1.37 -2.30 0.02 0.00 0.00 175.26 174.81 1b95 n PRO 66 N -1.05 2.18 0.08 0.39 -0.02 -1.26 -4.90 135.00 130.43 1b95 n PRO 66 Ca -0.08 0.77 0.12 0.00 -2.02 0.00 0.00 63.50 62.28 1b95 n PRO 66 Cb 0.57 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1b95 n PRO 66 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1b95 n LYS 67 N 1.18 0.53 -4.99 -0.52 5.02 -1.26 -4.85 118.16 113.27 1b95 n LYS 67 Ca 0.07 0.09 -0.27 0.00 -2.02 0.00 0.00 58.31 56.18 1b95 n LYS 67 Cb 0.35 -1.77 -0.16 0.00 -0.02 0.00 0.00 35.03 33.43 1b95 n LYS 67 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1b95 s GLN 68 N -3.33 1.82 0.84 1.97 -0.21 -1.26 -5.13 119.66 114.36 1b95 s GLN 68 Ca 0.00 -0.72 -0.11 0.00 0.02 0.00 0.00 55.36 54.56 1b95 s GLN 68 Cb 0.11 -1.67 0.10 0.00 1.00 0.00 0.00 33.01 32.55 1b95 s GLN 68 CO 0.79 0.37 1.13 -0.65 -2.12 0.00 0.00 175.29 174.81 1b95 s GLN 69 N -0.28 1.62 -0.53 2.91 -0.21 -1.26 -3.33 119.66 118.58 1b95 s GLN 69 Ca 0.03 1.44 0.00 0.00 0.02 0.00 0.00 55.36 56.84 1b95 s GLN 69 Cb -0.10 -1.80 0.00 0.00 1.00 0.00 0.00 33.01 32.11 1b95 s GLN 69 CO 0.01 -2.16 0.00 0.09 -2.12 0.00 0.00 175.29 171.11 1b95 n ASN 70 N -3.77 -2.95 -4.11 5.90 4.13 -1.26 -5.03 115.26 108.17 1b95 n ASN 70 Ca 0.11 0.06 -0.26 0.00 1.68 0.00 0.00 54.58 56.17 1b95 n ASN 70 Cb 0.52 -1.68 -0.16 0.00 -1.54 0.00 0.00 39.78 36.92 1b95 n ASN 70 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1b95 s HIS 71 N -2.25 1.71 0.28 3.10 3.76 -1.21 -4.74 115.29 115.94 1b95 s HIS 71 Ca 0.00 -0.55 -0.05 0.00 -0.15 0.00 0.00 55.06 54.31 1b95 s HIS 71 Cb 0.00 -1.18 -0.05 0.00 1.11 0.00 0.00 32.58 32.46 1b95 s HIS 71 CO 0.00 -0.22 0.54 -0.47 -0.85 0.00 0.00 174.74 173.74 1b95 s TYR 72 N 0.24 3.47 0.56 1.40 6.14 -0.37 -4.63 117.35 124.17 1b95 s TYR 72 Ca -0.08 0.63 0.06 0.00 0.64 0.00 0.00 57.07 58.32 1b95 s TYR 72 Cb -0.13 -2.09 0.10 0.00 0.42 0.00 0.00 41.96 40.25 1b95 s TYR 72 CO 0.03 0.19 0.78 -0.35 0.64 0.00 0.00 175.55 176.85 1b95 n PRO 73 N -0.86 0.44 -0.18 4.97 -0.04 -1.26 -0.38 135.00 137.69 1b95 n PRO 73 Ca -0.02 -2.71 -0.07 0.00 -0.04 0.00 0.00 63.50 60.66 1b95 n PRO 73 Cb 0.54 -0.33 0.02 0.00 -0.04 0.00 0.00 33.50 33.68 1b95 n PRO 73 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1b95 h ASP 74 N -0.10 0.61 -3.59 3.54 3.32 -1.71 -3.40 116.42 115.10 1b95 h ASP 74 Ca -0.26 -0.05 -0.38 0.00 0.02 0.00 0.00 57.03 56.36 1b95 h ASP 74 Cb 1.12 -0.15 -0.32 0.00 0.22 0.00 0.00 39.33 40.19 1b95 h ASP 74 CO 0.34 0.48 -0.77 -0.36 -1.72 0.00 0.00 179.24 177.22 1b95 s PHE 75 N -6.02 0.65 -0.25 4.55 0.08 -0.31 -4.35 117.98 112.32 1b95 s PHE 75 Ca -0.13 -0.15 -0.03 0.00 0.12 0.00 0.00 56.93 56.73 1b95 s PHE 75 Cb 0.12 -0.56 0.01 0.00 -0.57 0.00 0.00 43.02 42.03 1b95 s PHE 75 CO 0.75 -0.13 -0.03 0.99 -0.10 0.00 0.00 175.22 176.69 1b95 s THR 76 N 0.64 3.21 -0.10 0.64 2.01 0.27 -0.36 115.64 121.95 1b95 s THR 76 Ca -0.08 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 1b95 s THR 76 Cb -0.11 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 1b95 s THR 76 CO -0.00 0.24 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.40 1b95 s LEU 77 N 1.40 3.50 -0.21 4.42 1.02 0.47 -0.41 118.68 128.87 1b95 s LEU 77 Ca 0.02 0.09 -0.29 0.00 0.02 0.00 0.00 54.13 53.97 1b95 s LEU 77 Cb -0.16 -1.81 0.15 0.00 0.02 0.00 0.00 46.19 44.39 1b95 s LEU 77 CO -0.03 0.34 1.12 -0.72 0.02 0.00 0.00 176.35 177.09 1b95 s TYR 78 N -0.67 -0.27 0.08 0.29 1.13 -0.51 -0.49 117.35 116.92 1b95 s TYR 78 Ca 0.11 0.49 -0.13 0.00 -1.41 0.00 0.00 57.07 56.13 1b95 s TYR 78 Cb -0.12 0.46 -0.06 0.00 -1.10 0.00 0.00 41.96 41.14 1b95 s TYR 78 CO 0.02 -0.23 0.46 0.15 -2.51 0.00 0.00 175.55 173.44 1b95 s LYS 79 N -0.92 3.89 0.61 -3.49 1.02 -1.26 0.18 119.74 119.77 1b95 s LYS 79 Ca 0.02 0.36 0.38 0.00 0.02 0.00 0.00 55.97 56.75 1b95 s LYS 79 Cb -0.01 -3.03 1.98 0.00 -0.52 0.00 0.00 37.83 36.25 1b95 s LYS 79 CO -0.03 0.56 2.23 -1.00 -0.92 0.00 0.00 175.35 176.19 1b95 h PRO 80 N 3.91 0.00 0.00 -1.68 0.13 -1.99 -0.95 132.00 131.41 1b95 h PRO 80 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1b95 h PRO 80 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1b95 h PRO 80 CO 0.65 0.02 -0.05 -1.13 -0.23 0.00 0.00 178.00 177.25 1b95 n SER 81 N -3.22 0.13 -3.20 1.44 3.41 -1.26 -4.27 113.62 106.64 1b95 n SER 81 Ca -0.02 0.43 -0.23 0.00 -0.26 0.00 0.00 58.87 58.79 1b95 n SER 81 Cb 0.16 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 1b95 n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b95 n GLU 82 N -1.57 0.88 0.11 4.33 1.02 -0.36 -4.98 120.64 120.06 1b95 n GLU 82 Ca 0.07 -3.34 0.03 0.00 -0.02 0.00 0.00 57.16 53.90 1b95 n GLU 82 Cb 0.35 -1.35 0.43 0.00 -0.02 0.00 0.00 31.44 30.85 1b95 n GLU 82 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1b95 h PRO 83 N 3.87 0.29 -0.73 3.49 0.13 -1.74 -2.53 132.00 134.77 1b95 h PRO 83 Ca 0.08 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.11 1b95 h PRO 83 Cb 0.88 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 1b95 h PRO 83 CO 0.49 0.33 0.08 0.09 -0.23 0.00 0.00 178.00 178.76 1b95 n ASN 84 N -4.36 4.46 -2.45 1.44 4.13 -1.26 -4.11 115.26 113.11 1b95 n ASN 84 Ca -0.00 -2.79 -0.16 0.00 1.68 0.00 0.00 54.58 53.31 1b95 n ASN 84 Cb 0.19 -0.66 0.02 0.00 -1.54 0.00 0.00 39.78 37.80 1b95 n ASN 84 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1b95 n LYS 85 N 0.29 2.67 -1.99 3.52 5.02 -0.95 -4.52 118.16 122.19 1b95 n LYS 85 Ca 0.25 -3.93 -0.33 0.00 -2.02 0.00 0.00 58.31 52.27 1b95 n LYS 85 Cb 1.04 -1.92 0.02 0.00 -0.02 0.00 0.00 35.03 34.15 1b95 n LYS 85 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1b95 s LYS 86 N -3.55 3.14 -0.15 1.97 1.02 -0.08 -4.64 119.74 117.45 1b95 s LYS 86 Ca 0.40 1.37 0.02 0.00 0.02 0.00 0.00 55.97 57.77 1b95 s LYS 86 Cb 0.40 -2.00 0.01 0.00 -0.52 0.00 0.00 37.83 35.72 1b95 s LYS 86 CO -0.04 -0.98 -0.20 0.42 -0.92 0.00 0.00 175.35 173.63 1b95 s ILE 87 N -2.25 2.21 -0.13 2.17 1.01 0.36 -1.06 121.20 123.50 1b95 s ILE 87 Ca 0.67 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 1b95 s ILE 87 Cb -0.19 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 1b95 s ILE 87 CO 0.36 0.54 0.23 0.00 0.00 0.00 0.00 174.94 176.07 1b95 s ALA 88 N 0.89 3.72 -0.10 9.38 0.00 1.00 -0.39 121.76 136.26 1b95 s ALA 88 Ca -0.05 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1b95 s ALA 88 Cb -0.15 -2.21 0.02 0.00 0.00 0.00 0.00 23.12 20.78 1b95 s ALA 88 CO -0.03 0.34 -0.12 0.42 0.00 0.00 0.00 175.76 176.37 1b95 s ILE 89 N -0.30 1.22 -0.07 0.00 1.01 0.51 -0.17 121.20 123.41 1b95 s ILE 89 Ca 0.15 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.37 1b95 s ILE 89 Cb -0.13 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 1b95 s ILE 89 CO 0.04 0.39 -0.21 -0.62 0.00 0.00 0.00 174.94 174.54 1b95 s ASP 90 N 1.12 2.68 -0.24 3.58 2.15 -0.49 -1.16 116.67 124.31 1b95 s ASP 90 Ca -0.05 -0.46 -0.14 0.00 0.43 0.00 0.00 52.55 52.33 1b95 s ASP 90 Cb -0.14 -1.01 -0.04 0.00 -0.30 0.00 0.00 42.92 41.42 1b95 s ASP 90 CO -0.02 0.16 0.32 -0.63 -0.17 0.00 0.00 175.17 174.82 1b95 s ILE 91 N 0.21 5.24 0.04 4.11 1.01 -1.26 -1.25 121.20 129.30 1b95 s ILE 91 Ca -0.11 0.50 0.09 0.00 0.00 0.00 0.00 60.65 61.13 1b95 s ILE 91 Cb -0.15 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 1b95 s ILE 91 CO 0.05 0.25 -0.26 -0.54 0.00 0.00 0.00 174.94 174.44 1b95 s LYS 92 N 1.50 1.81 0.02 2.79 -0.14 0.04 -4.97 119.74 120.79 1b95 s LYS 92 Ca 0.14 -1.11 0.04 0.00 -1.36 0.00 0.00 55.97 53.69 1b95 s LYS 92 Cb -0.15 -1.98 -0.02 0.00 -1.68 0.00 0.00 37.83 34.00 1b95 s LYS 92 CO 0.08 0.51 -0.13 0.99 -0.76 0.00 0.00 175.35 176.04 1b95 s THR 93 N -0.80 1.05 0.23 2.17 2.01 -1.26 0.03 115.64 119.06 1b95 s THR 93 Ca 0.12 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.22 1b95 s THR 93 Cb -0.10 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1b95 s THR 93 CO 0.02 0.11 0.35 0.28 -0.69 0.00 0.00 174.62 174.68 1b95 s THR 94 N -0.64 0.00 0.44 -0.82 -1.32 -0.65 -4.96 115.64 107.70 1b95 s THR 94 Ca 0.03 -1.62 0.06 0.00 -1.21 0.00 0.00 61.69 58.95 1b95 s THR 94 Cb -0.07 -2.29 -0.05 0.00 -1.51 0.00 0.00 72.50 68.58 1b95 s THR 94 CO 0.01 -0.02 0.09 -0.72 -2.21 0.00 0.00 174.62 171.77 1b95 s TYR 95 N -4.07 2.36 -0.00 9.09 1.13 -1.26 -2.24 117.35 122.36 1b95 s TYR 95 Ca 0.28 -0.71 -0.03 0.00 -1.41 0.00 0.00 57.07 55.20 1b95 s TYR 95 Cb 0.02 -1.81 -0.00 0.00 -1.10 0.00 0.00 41.96 39.07 1b95 s TYR 95 CO 0.10 0.26 0.05 -0.08 -2.51 0.00 0.00 175.55 173.37 1b95 s THR 96 N -2.71 0.06 -0.18 -3.49 -1.32 0.09 -4.86 115.64 103.22 1b95 s THR 96 Ca 0.31 -0.47 0.19 0.00 -1.21 0.00 0.00 61.69 60.52 1b95 s THR 96 Cb 0.06 -0.24 -0.06 0.00 -1.51 0.00 0.00 72.50 70.75 1b95 s THR 96 CO 0.17 -0.26 0.97 0.78 -2.21 0.00 0.00 174.62 174.07 1b95 h ASN 97 N 5.16 0.00 -3.50 8.08 -0.26 -1.91 -0.85 115.58 122.29 1b95 h ASN 97 Ca -0.28 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.23 1b95 h ASN 97 Cb 1.20 0.00 -0.30 0.00 -1.06 0.00 0.00 38.32 38.16 1b95 h ASN 97 CO 0.43 0.33 -0.58 -1.59 -1.06 0.00 0.00 177.43 174.97 1b95 s LYS 98 N -3.10 0.12 -0.21 0.81 -2.85 -1.26 -4.71 119.74 108.53 1b95 s LYS 98 Ca -0.01 0.35 -0.42 0.00 -1.00 0.00 0.00 55.97 54.88 1b95 s LYS 98 Cb 0.09 -0.11 -0.20 0.00 -2.06 0.00 0.00 37.83 35.55 1b95 s LYS 98 CO 0.80 -0.13 1.28 0.39 0.10 0.00 0.00 175.35 177.78 1b95 n GLU 99 N 3.94 0.00 -2.89 1.78 1.02 -1.26 -2.69 120.64 120.53 1b95 n GLU 99 Ca -0.23 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.81 1b95 n GLU 99 Cb 0.53 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.52 1b95 n GLU 99 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1b95 n ASN 100 N 2.55 -3.26 -4.91 1.62 4.05 -1.26 -5.08 115.26 108.97 1b95 n ASN 100 Ca 0.24 -0.28 -0.21 0.00 0.45 0.00 0.00 54.58 54.79 1b95 n ASN 100 Cb 0.02 -2.71 0.05 0.00 1.23 0.00 0.00 39.78 38.37 1b95 n ASN 100 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1b95 s GLU 101 N -5.23 2.34 0.37 1.20 2.02 -1.10 -4.98 118.70 113.31 1b95 s GLU 101 Ca 0.17 -1.06 -0.26 0.00 0.02 0.00 0.00 54.97 53.84 1b95 s GLU 101 Cb -0.07 -2.51 -0.09 0.00 0.10 0.00 0.00 34.13 31.55 1b95 s GLU 101 CO 0.35 -0.85 1.14 0.15 0.02 0.00 0.00 175.26 176.08 1b95 s LYS 102 N -4.78 4.22 0.26 1.61 1.02 -1.26 -4.64 119.74 116.17 1b95 s LYS 102 Ca 0.60 1.80 0.05 0.00 0.02 0.00 0.00 55.97 58.44 1b95 s LYS 102 Cb -0.08 -2.79 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1b95 s LYS 102 CO 0.39 -0.16 -0.02 0.96 -0.92 0.00 0.00 175.35 175.60 1b95 s ILE 103 N -1.38 1.26 0.02 2.17 -4.36 -0.61 -4.89 121.20 113.41 1b95 s ILE 103 Ca 0.54 -2.06 -0.18 0.00 -0.26 0.00 0.00 60.65 58.68 1b95 s ILE 103 Cb -0.30 -2.42 0.04 0.00 1.25 0.00 0.00 42.46 41.03 1b95 s ILE 103 CO 0.38 -0.29 0.41 -1.59 0.24 0.00 0.00 174.94 174.09 1b95 s LYS 104 N -3.82 0.87 0.26 0.37 -2.85 -1.26 -1.41 119.74 111.90 1b95 s LYS 104 Ca 0.29 -0.26 0.07 0.00 -1.00 0.00 0.00 55.97 55.07 1b95 s LYS 104 Cb 0.05 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 1b95 s LYS 104 CO 0.10 -0.28 -0.09 -0.06 0.10 0.00 0.00 175.35 175.12 1b95 s PHE 105 N -2.07 1.89 -0.23 1.78 0.40 -1.26 -4.85 117.98 113.64 1b95 s PHE 105 Ca -0.08 -0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 55.49 1b95 s PHE 105 Cb -0.02 -1.01 -0.05 0.00 0.51 0.00 0.00 43.02 42.45 1b95 s PHE 105 CO 0.00 0.32 0.22 0.95 0.70 0.00 0.00 175.22 177.42 1b95 s THR 106 N -2.98 5.32 -0.56 0.64 -4.23 -1.26 -1.60 115.64 110.97 1b95 s THR 106 Ca 0.27 0.31 0.01 0.00 -1.18 0.00 0.00 61.69 61.11 1b95 s THR 106 Cb 0.02 -3.56 0.44 0.00 1.34 0.00 0.00 72.50 70.74 1b95 s THR 106 CO 0.11 0.32 1.74 0.18 -0.54 0.00 0.00 174.62 176.42 1b95 n LEU 107 N 4.33 6.71 0.00 4.79 4.77 0.72 -4.95 117.00 133.37 1b95 n LEU 107 Ca -0.13 -4.53 0.00 0.00 -0.03 0.00 0.00 56.01 51.32 1b95 n LEU 107 Cb 0.52 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1b95 n LEU 107 CO 0.36 1.73 0.00 0.61 -1.33 0.00 0.00 177.39 178.76 1b95 n GLY 108 N -0.80 -0.52 3.77 -0.72 0.00 -1.26 -4.56 105.19 101.10 1b95 n GLY 108 Ca 0.55 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 1b95 n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b95 s GLY 109 N -2.53 1.65 0.00 -0.02 0.00 -1.26 0.33 107.32 105.49 1b95 s GLY 109 Ca 0.00 0.09 0.10 0.00 0.00 0.00 0.00 44.72 44.91 1b95 s GLY 109 CO 0.00 0.47 0.96 1.58 0.00 0.00 0.00 173.10 176.11 1b95 n TYR 110 N -3.50 0.14 -0.00 1.90 0.18 -0.70 -4.55 117.16 110.63 1b95 n TYR 110 Ca 0.08 -0.17 0.00 0.00 1.88 0.00 0.00 57.90 59.69 1b95 n TYR 110 Cb 0.54 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 1b95 n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1b95 n THR 111 N 0.52 0.81 0.00 -3.48 -2.24 -1.26 -4.58 114.28 104.05 1b95 n THR 111 Ca 0.07 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1b95 n THR 111 Cb 0.31 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1b95 n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b95 n SER 112 N -0.41 0.00 0.27 3.42 3.41 -1.26 -4.71 113.62 114.35 1b95 n SER 112 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1b95 n SER 112 Cb 0.20 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 64.93 1b95 n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1b95 h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.59 0.06 116.94 117.59 1b95 h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1b95 h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1b95 h PHE 113 CO 0.00 0.09 0.00 0.44 -2.00 0.00 0.00 178.31 176.84 1b95 n ILE 114 N -3.67 0.61 0.00 0.88 -5.35 -1.26 -3.36 119.36 107.20 1b95 n ILE 114 Ca -0.02 0.03 0.02 0.00 -0.27 0.00 0.00 62.75 62.51 1b95 n ILE 114 Cb 0.20 -0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 37.26 1b95 n ILE 114 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1b95 n ARG 115 N -1.94 0.21 -3.79 6.28 1.74 -0.66 -4.89 116.66 113.61 1b95 n ARG 115 Ca 0.04 -0.04 -0.27 0.00 -0.77 0.00 0.00 57.85 56.82 1b95 n ARG 115 Cb 0.30 -1.10 -0.17 0.00 -1.02 0.00 0.00 32.46 30.48 1b95 n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1b95 s ASN 116 N -2.48 2.57 0.36 0.55 3.84 -0.08 -5.05 114.94 114.66 1b95 s ASN 116 Ca -0.02 -0.60 0.18 0.00 0.21 0.00 0.00 52.86 52.64 1b95 s ASN 116 Cb 0.03 -0.65 1.21 0.00 -0.55 0.00 0.00 41.25 41.28 1b95 s ASN 116 CO 0.18 -0.24 1.64 -1.13 -2.79 0.00 0.00 177.10 174.75 1b95 h ASN 117 N 8.22 0.43 -0.13 -4.21 -1.24 -1.85 -1.60 115.58 115.20 1b95 h ASN 117 Ca -0.19 0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1b95 h ASN 117 Cb 1.12 0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.33 1b95 h ASN 117 CO 0.34 -0.22 -0.03 0.35 -1.29 0.00 0.00 177.43 176.57 1b95 n THR 118 N -5.06 2.11 -3.06 -3.57 -2.24 -1.26 -0.21 114.28 100.99 1b95 n THR 118 Ca 0.34 -2.19 -0.41 0.00 -2.27 0.00 0.00 64.05 59.52 1b95 n THR 118 Cb 1.12 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 1b95 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1b95 s LYS 119 N -2.90 3.87 -1.44 -0.78 2.20 -0.60 -4.30 119.74 115.80 1b95 s LYS 119 Ca 0.37 0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 56.21 1b95 s LYS 119 Cb 0.32 -3.75 0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1b95 s LYS 119 CO 0.05 -0.64 1.04 0.09 -0.36 0.00 0.00 175.35 175.53 1b95 n ASN 120 N 6.02 -4.98 -3.90 1.43 4.13 -1.26 -2.30 115.26 114.40 1b95 n ASN 120 Ca 0.00 -0.69 -0.11 0.00 1.68 0.00 0.00 54.58 55.46 1b95 n ASN 120 Cb 0.49 -4.37 -0.13 0.00 -1.54 0.00 0.00 39.78 34.23 1b95 n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1b95 s ILE 121 N -3.34 0.04 0.22 2.41 2.07 -1.26 -1.23 121.20 120.11 1b95 s ILE 121 Ca 0.56 -0.32 -0.07 0.00 -1.41 0.00 0.00 60.65 59.40 1b95 s ILE 121 Cb -0.27 -0.13 0.16 0.00 0.13 0.00 0.00 42.46 42.35 1b95 s ILE 121 CO 0.79 -0.18 1.78 0.58 -1.91 0.00 0.00 174.94 176.00 1b95 h VAL 122 N 4.92 1.26 -3.72 4.00 2.07 -1.02 -3.44 116.25 120.33 1b95 h VAL 122 Ca -0.27 -0.83 -0.40 0.00 0.82 0.00 0.00 66.70 66.02 1b95 h VAL 122 Cb 1.21 0.35 -0.19 0.00 -1.52 0.00 0.00 31.29 31.13 1b95 h VAL 122 CO 0.46 0.34 -0.76 -0.31 0.02 0.00 0.00 177.57 177.32 1b95 s TYR 123 N -5.51 1.28 0.12 1.57 2.02 -1.26 -5.08 117.35 110.50 1b95 s TYR 123 Ca -0.12 -0.54 -0.35 0.00 -0.37 0.00 0.00 57.07 55.69 1b95 s TYR 123 Cb 0.16 -0.69 -0.17 0.00 -0.40 0.00 0.00 41.96 40.86 1b95 s TYR 123 CO 0.84 0.09 1.19 -2.30 -1.57 0.00 0.00 175.55 173.80 1b95 n PRO 124 N 0.77 0.97 -0.17 -1.71 -0.02 -1.26 -4.82 135.00 128.76 1b95 n PRO 124 Ca -0.17 0.35 0.19 0.00 -2.02 0.00 0.00 63.50 61.84 1b95 n PRO 124 Cb 0.56 -1.88 0.55 0.00 -0.02 0.00 0.00 33.50 32.72 1b95 n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1b95 h PHE 125 N 3.64 0.39 0.00 6.00 3.57 -0.92 -1.03 116.94 128.58 1b95 h PHE 125 Ca -0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1b95 h PHE 125 Cb 1.35 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1b95 h PHE 125 CO 0.56 0.13 0.00 -0.40 -2.23 0.00 0.00 178.31 176.36 1b95 n ASP 126 N -4.45 0.00 -0.07 0.41 5.75 -1.26 -2.67 116.55 114.26 1b95 n ASP 126 Ca 0.16 -0.67 0.12 0.00 -0.01 0.00 0.00 54.79 54.39 1b95 n ASP 126 Cb 0.65 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.90 1b95 n ASP 126 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b95 n GLN 127 N -0.99 0.20 -3.69 0.11 6.02 -0.39 -4.88 117.38 113.75 1b95 n GLN 127 Ca 0.16 -0.13 -0.36 0.00 -0.01 0.00 0.00 57.00 56.66 1b95 n GLN 127 Cb 0.07 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.76 1b95 n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1b95 s TYR 128 N -2.90 3.46 -1.50 1.08 1.51 -1.09 -0.90 117.35 117.01 1b95 s TYR 128 Ca 0.13 0.46 0.16 0.00 -1.01 0.00 0.00 57.07 56.81 1b95 s TYR 128 Cb 0.17 -2.18 -0.00 0.00 -0.11 0.00 0.00 41.96 39.84 1b95 s TYR 128 CO 0.71 0.35 0.87 0.44 -1.11 0.00 0.00 175.55 176.81 1b95 n ILE 129 N 3.26 0.00 -3.68 2.71 -6.64 -0.22 -4.87 119.36 109.92 1b95 n ILE 129 Ca -0.15 -0.33 -0.14 0.00 -1.77 0.00 0.00 62.75 60.35 1b95 n ILE 129 Cb 0.52 1.19 -0.08 0.00 -1.44 0.00 0.00 39.64 39.83 1b95 n ILE 129 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1b95 s ALA 130 N -1.91 -1.30 -0.26 -1.28 0.00 -1.22 -5.06 121.76 110.73 1b95 s ALA 130 Ca 0.14 1.31 -0.00 0.00 0.00 0.00 0.00 51.96 53.41 1b95 s ALA 130 Cb 0.13 -0.62 0.08 0.00 0.00 0.00 0.00 23.12 22.70 1b95 s ALA 130 CO 0.41 -0.27 0.02 -1.01 0.00 0.00 0.00 175.76 174.91 1b95 s HIS 131 N -0.14 2.07 0.09 0.00 3.76 -1.26 -0.00 115.29 119.81 1b95 s HIS 131 Ca -0.03 -1.71 0.04 0.00 -0.15 0.00 0.00 55.06 53.21 1b95 s HIS 131 Cb -0.03 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 1b95 s HIS 131 CO 0.02 -0.79 0.05 -1.58 -0.85 0.00 0.00 174.74 171.59 1b95 s TRP 132 N 1.50 3.10 -0.20 1.40 0.51 0.76 -1.04 118.94 124.96 1b95 s TRP 132 Ca 0.02 0.03 -0.02 0.00 -2.12 0.00 0.00 56.10 54.01 1b95 s TRP 132 Cb -0.18 -1.58 0.01 0.00 -0.81 0.00 0.00 33.47 30.91 1b95 s TRP 132 CO -0.12 0.51 -0.11 0.42 -0.51 0.00 0.00 176.95 177.13 1b95 s ILE 133 N -1.38 2.78 -0.50 2.03 -1.09 0.14 -1.40 121.20 121.79 1b95 s ILE 133 Ca 0.28 -0.71 -0.20 0.00 -2.23 0.00 0.00 60.65 57.79 1b95 s ILE 133 Cb -0.12 -2.24 0.05 0.00 -1.58 0.00 0.00 42.46 38.58 1b95 s ILE 133 CO 0.21 0.47 0.65 -0.63 -1.23 0.00 0.00 174.94 174.40 1b95 s ILE 134 N 1.39 4.83 -0.18 2.92 1.01 -0.38 -1.82 121.20 128.97 1b95 s ILE 134 Ca 0.05 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.28 1b95 s ILE 134 Cb -0.14 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1b95 s ILE 134 CO -0.08 -0.80 0.09 -0.83 0.00 0.00 0.00 174.94 173.33 1b95 s GLY 135 N 2.60 1.98 -0.09 6.18 0.00 -0.65 -0.78 107.32 116.56 1b95 s GLY 135 Ca 0.17 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.20 1b95 s GLY 135 CO 0.13 -0.00 -0.15 -0.19 0.00 0.00 0.00 173.10 172.89 1b95 s TYR 136 N 0.12 2.72 -0.13 1.90 2.02 0.10 -1.19 117.35 122.90 1b95 s TYR 136 Ca 0.07 -0.52 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1b95 s TYR 136 Cb -0.12 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1b95 s TYR 136 CO -0.00 -0.10 -0.19 0.08 -1.57 0.00 0.00 175.55 173.77 1b95 s VAL 137 N -0.06 1.85 0.13 0.71 1.01 -0.00 -1.64 120.40 122.40 1b95 s VAL 137 Ca -0.03 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.19 1b95 s VAL 137 Cb -0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1b95 s VAL 137 CO 0.04 0.51 -0.24 -0.72 0.00 0.00 0.00 175.10 174.68 1b95 s TYR 138 N 0.86 2.13 -0.25 5.22 1.13 -0.95 -0.20 117.35 125.29 1b95 s TYR 138 Ca -0.07 -0.39 -0.17 0.00 -1.41 0.00 0.00 57.07 55.02 1b95 s TYR 138 Cb -0.15 -1.14 -0.03 0.00 -1.10 0.00 0.00 41.96 39.54 1b95 s TYR 138 CO -0.01 0.31 0.49 0.99 -2.51 0.00 0.00 175.55 174.82 1b95 s THR 139 N -1.20 5.09 0.37 -3.49 2.01 0.13 -0.73 115.64 117.82 1b95 s THR 139 Ca 0.12 0.84 -0.28 0.00 0.31 0.00 0.00 61.69 62.69 1b95 s THR 139 Cb -0.10 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 1b95 s THR 139 CO 0.06 0.11 1.34 -0.60 -0.69 0.00 0.00 174.62 174.84 1b95 s ARG 140 N 2.19 4.18 -0.06 4.92 3.52 -0.32 -0.88 118.95 132.49 1b95 s ARG 140 Ca 0.21 2.27 0.01 0.00 -0.13 0.00 0.00 55.73 58.08 1b95 s ARG 140 Cb -0.16 -2.95 0.02 0.00 -1.56 0.00 0.00 34.95 30.31 1b95 s ARG 140 CO 0.09 -0.36 -0.06 0.08 -0.81 0.00 0.00 175.30 174.24 1b95 s VAL 141 N -1.18 0.73 0.42 7.11 1.01 -0.93 -4.81 120.40 122.76 1b95 s VAL 141 Ca 0.52 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.05 1b95 s VAL 141 Cb -0.41 -0.74 -0.08 0.00 0.00 0.00 0.00 36.38 35.16 1b95 s VAL 141 CO 0.54 0.28 1.27 0.00 0.00 0.00 0.00 175.10 177.19 1b95 s ALA 142 N 1.08 3.17 0.49 5.51 0.00 -1.26 -4.68 121.76 126.07 1b95 s ALA 142 Ca -0.08 1.17 -0.23 0.00 0.00 0.00 0.00 51.96 52.81 1b95 s ALA 142 Cb -0.14 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 1b95 s ALA 142 CO -0.01 -0.81 1.33 0.99 0.00 0.00 0.00 175.76 177.27 1b95 s THR 143 N -1.32 2.34 0.30 0.00 2.01 -1.26 -5.03 115.64 112.68 1b95 s THR 143 Ca 0.59 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.89 1b95 s THR 143 Cb -0.36 -3.14 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 1b95 s THR 143 CO 0.46 0.01 0.05 0.00 -0.69 0.00 0.00 174.62 174.45 1b95 s ARG 144 N -2.67 1.56 0.28 4.92 1.70 -1.26 -5.06 118.95 118.43 1b95 s ARG 144 Ca 0.66 -1.85 -0.05 0.00 -0.47 0.00 0.00 55.73 54.02 1b95 s ARG 144 Cb -0.39 -0.74 0.54 0.00 -0.57 0.00 0.00 34.95 33.79 1b95 s ARG 144 CO 0.48 -0.18 1.58 -0.22 -1.08 0.00 0.00 175.30 175.88 1b95 h LYS 145 N 2.22 0.02 0.00 3.89 3.64 -2.02 -2.07 116.57 122.25 1b95 h LYS 145 Ca -0.40 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1b95 h LYS 145 Cb 1.24 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1b95 h LYS 145 CO 0.67 0.01 0.00 -1.13 -2.27 0.00 0.00 179.45 176.74 1b95 n SER 146 N -5.51 0.00 -0.56 4.20 3.41 -1.26 -1.85 113.62 112.05 1b95 n SER 146 Ca 0.17 0.47 0.13 0.00 -0.26 0.00 0.00 58.87 59.39 1b95 n SER 146 Cb 0.57 -0.48 0.34 0.00 -0.26 0.00 0.00 64.21 64.38 1b95 n SER 146 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1b95 n SER 147 N -1.48 1.85 -0.93 4.04 3.41 -0.78 -4.19 113.62 115.54 1b95 n SER 147 Ca 0.01 -1.52 0.11 0.00 -0.26 0.00 0.00 58.87 57.21 1b95 n SER 147 Cb 0.04 0.07 0.27 0.00 -0.26 0.00 0.00 64.21 64.33 1b95 n SER 147 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b95 n LEU 148 N 0.31 2.78 -4.59 1.04 4.77 -0.77 -4.50 117.00 116.03 1b95 n LEU 148 Ca 0.16 -1.18 -0.27 0.00 -0.03 0.00 0.00 56.01 54.69 1b95 n LEU 148 Cb 0.43 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 1b95 n LEU 148 CO 0.19 0.59 -0.33 -1.59 -1.33 0.00 0.00 177.39 174.92 1b95 s LYS 149 N -1.62 1.91 0.37 3.23 -2.85 -1.26 -5.10 119.74 114.42 1b95 s LYS 149 Ca 0.36 -1.98 -0.06 0.00 -1.00 0.00 0.00 55.97 53.29 1b95 s LYS 149 Cb 0.21 -1.71 -0.05 0.00 -2.06 0.00 0.00 37.83 34.21 1b95 s LYS 149 CO 0.29 0.06 0.67 0.95 0.10 0.00 0.00 175.35 177.43 1b95 s THR 150 N -2.64 4.93 0.21 3.79 -4.23 -1.26 -4.45 115.64 111.99 1b95 s THR 150 Ca 0.34 0.24 0.09 0.00 -1.18 0.00 0.00 61.69 61.17 1b95 s THR 150 Cb 0.05 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 1b95 s THR 150 CO 0.18 -0.51 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.27 1b95 s TYR 151 N -2.33 1.86 0.43 3.99 1.51 0.61 -4.95 117.35 118.48 1b95 s TYR 151 Ca 0.47 -0.50 0.06 0.00 -1.01 0.00 0.00 57.07 56.09 1b95 s TYR 151 Cb -0.10 -0.86 0.01 0.00 -0.11 0.00 0.00 41.96 40.90 1b95 s TYR 151 CO 0.34 0.43 0.60 -0.80 -1.11 0.00 0.00 175.55 175.01 1b95 s ASN 152 N -3.23 5.63 0.37 2.29 0.01 -1.26 0.54 114.94 119.29 1b95 s ASN 152 Ca 0.23 -0.30 0.05 0.00 -0.71 0.00 0.00 52.86 52.13 1b95 s ASN 152 Cb -0.03 -0.79 0.74 0.00 0.41 0.00 0.00 41.25 41.58 1b95 s ASN 152 CO 0.09 -0.79 2.00 0.40 -1.51 0.00 0.00 177.10 177.29 1b95 h ILE 153 N 0.56 1.09 0.00 0.60 2.04 -1.97 -2.34 117.51 117.50 1b95 h ILE 153 Ca -0.41 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1b95 h ILE 153 Cb 1.28 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1b95 h ILE 153 CO 0.48 0.14 0.00 -0.55 0.00 0.00 0.00 178.15 178.21 1b95 h ASN 154 N 0.74 0.00 -0.42 1.72 7.08 -1.95 -2.65 115.58 120.10 1b95 h ASN 154 Ca 0.24 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.46 1b95 h ASN 154 Cb 0.05 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.29 1b95 h ASN 154 CO -0.06 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 174.67 1b95 n GLU 155 N -2.61 3.83 -0.27 4.14 1.02 -0.88 -4.76 120.64 121.11 1b95 n GLU 155 Ca -0.00 -2.97 0.02 0.00 -0.02 0.00 0.00 57.16 54.19 1b95 n GLU 155 Cb 0.17 -2.02 0.09 0.00 -0.02 0.00 0.00 31.44 29.66 1b95 n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1b95 h LEU 156 N 2.88 -0.73 -0.45 -4.62 3.38 -1.57 -0.09 115.31 114.11 1b95 h LEU 156 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1b95 h LEU 156 Cb 1.66 0.48 0.00 0.00 0.09 0.00 0.00 40.66 42.89 1b95 h LEU 156 CO 0.33 -0.26 0.00 0.59 0.09 0.00 0.00 178.44 179.20 1b95 n ASN 157 N -5.51 0.47 0.05 -0.43 4.13 -1.26 -3.04 115.26 109.68 1b95 n ASN 157 Ca 0.11 0.61 -0.05 0.00 1.68 0.00 0.00 54.58 56.93 1b95 n ASN 157 Cb 0.39 -0.71 -0.10 0.00 -1.54 0.00 0.00 39.78 37.82 1b95 n ASN 157 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1b95 h GLU 158 N 0.00 0.00 -6.44 3.52 5.08 -1.37 -3.47 114.58 111.90 1b95 h GLU 158 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1b95 h GLU 158 Cb 0.35 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.64 1b95 h GLU 158 CO 0.00 0.71 1.02 -0.89 -1.00 0.00 0.00 179.01 178.85 1b95 n ILE 159 N -3.20 0.33 -2.17 3.13 5.41 -1.17 -4.92 119.36 116.77 1b95 n ILE 159 Ca -0.05 -0.06 -0.42 0.00 1.00 0.00 0.00 62.75 63.22 1b95 n ILE 159 Cb 0.92 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.94 1b95 n ILE 159 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1b95 s PRO 160 N 2.62 4.30 0.31 0.38 0.04 -1.26 -5.00 135.00 136.38 1b95 s PRO 160 Ca 0.84 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.66 1b95 s PRO 160 Cb -0.60 -3.40 -0.10 0.00 0.04 0.00 0.00 34.50 30.44 1b95 s PRO 160 CO 0.42 -0.51 0.98 0.15 0.04 0.00 0.00 177.00 178.07 1b95 s LYS 161 N 1.71 4.59 0.00 4.56 3.01 -1.26 -4.78 119.74 127.57 1b95 s LYS 161 Ca 0.65 1.45 0.29 0.00 -1.01 0.00 0.00 55.97 57.34 1b95 s LYS 161 Cb -0.35 -2.91 1.19 0.00 -1.01 0.00 0.00 37.83 34.75 1b95 s LYS 161 CO 0.29 0.26 1.89 -0.35 0.51 0.00 0.00 175.35 177.95 1b95 n PRO 162 N 0.74 0.01 -4.58 -1.68 -0.04 -1.26 -4.89 135.00 123.30 1b95 n PRO 162 Ca 0.01 -0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.20 1b95 n PRO 162 Cb 0.49 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 1b95 n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1b95 s TYR 163 N -2.99 1.89 0.00 0.54 -0.85 -1.26 -2.18 117.35 112.50 1b95 s TYR 163 Ca 0.14 -1.09 -0.00 0.00 -0.52 0.00 0.00 57.07 55.60 1b95 s TYR 163 Cb 0.19 -1.35 -0.01 0.00 0.38 0.00 0.00 41.96 41.17 1b95 s TYR 163 CO 0.54 -0.04 -0.00 0.15 -1.52 0.00 0.00 175.55 174.68 1b95 s LYS 164 N -3.79 0.10 -1.25 -3.49 1.02 -0.06 -4.87 119.74 107.40 1b95 s LYS 164 Ca 0.22 -0.17 -0.23 0.00 0.02 0.00 0.00 55.97 55.81 1b95 s LYS 164 Cb 0.04 0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.41 1b95 s LYS 164 CO 0.12 -0.02 0.61 0.41 -0.92 0.00 0.00 175.35 175.55 1b95 n GLY 165 N 2.62 -0.73 3.75 -3.33 0.00 -1.26 -0.69 105.19 105.55 1b95 n GLY 165 Ca -0.16 0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1b95 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b95 s VAL 166 N -3.66 2.18 0.06 1.61 1.01 -1.26 -4.40 120.40 115.94 1b95 s VAL 166 Ca 0.38 0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.59 1b95 s VAL 166 Cb -0.18 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1b95 s VAL 166 CO 0.93 0.02 -0.23 -0.54 0.00 0.00 0.00 175.10 175.29 1b95 s LYS 167 N -0.36 1.47 0.03 2.72 1.02 0.73 -4.96 119.74 120.39 1b95 s LYS 167 Ca 0.63 -1.08 0.03 0.00 0.02 0.00 0.00 55.97 55.58 1b95 s LYS 167 Cb -0.47 -1.68 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1b95 s LYS 167 CO 0.46 0.42 -0.10 0.54 -0.92 0.00 0.00 175.35 175.75 1b95 s VAL 168 N -0.89 0.78 0.13 3.17 0.11 -1.26 -0.82 120.40 121.62 1b95 s VAL 168 Ca 0.09 -0.90 -0.00 0.00 -2.93 0.00 0.00 61.98 58.25 1b95 s VAL 168 Cb -0.09 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1b95 s VAL 168 CO 0.03 -0.12 0.02 0.72 -3.33 0.00 0.00 175.10 172.42 1b95 s PHE 169 N -0.92 0.91 -0.08 1.54 -0.12 -0.33 -4.94 117.98 114.03 1b95 s PHE 169 Ca -0.03 -1.13 0.00 0.00 -0.05 0.00 0.00 56.93 55.73 1b95 s PHE 169 Cb -0.08 -0.53 0.02 0.00 -0.63 0.00 0.00 43.02 41.81 1b95 s PHE 169 CO 0.01 -0.39 -0.07 -1.17 -0.05 0.00 0.00 175.22 173.55 1b95 s LEU 170 N -3.06 1.20 0.17 -1.99 0.20 -1.26 -1.64 118.68 112.30 1b95 s LEU 170 Ca 0.21 -0.23 -0.18 0.00 0.69 0.00 0.00 54.13 54.62 1b95 s LEU 170 Cb 0.07 -0.69 0.04 0.00 -0.43 0.00 0.00 46.19 45.18 1b95 s LEU 170 CO 0.00 -0.09 0.49 -1.58 -0.29 0.00 0.00 176.35 174.88 1b95 s GLN 171 N 1.37 1.26 0.35 1.98 2.00 -0.76 -4.96 119.66 120.90 1b95 s GLN 171 Ca -0.02 -0.76 -0.26 0.00 -2.00 0.00 0.00 55.36 52.31 1b95 s GLN 171 Cb -0.14 0.51 -0.09 0.00 0.80 0.00 0.00 33.01 34.09 1b95 s GLN 171 CO -0.03 -0.52 1.06 -0.51 -0.50 0.00 0.00 175.29 174.78 1b95 s ASP 172 N -2.83 7.00 0.13 6.67 1.01 -1.26 0.28 116.67 127.66 1b95 s ASP 172 Ca 0.06 2.11 -0.23 0.00 0.71 0.00 0.00 52.55 55.20 1b95 s ASP 172 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1b95 s ASP 172 CO -0.07 -0.32 1.66 0.50 0.21 0.00 0.00 175.17 177.15 1b95 h LYS 173 N 3.06 -0.21 -0.67 8.23 3.64 -1.40 -2.71 116.57 126.50 1b95 h LYS 173 Ca -0.47 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.00 1b95 h LYS 173 Cb 1.21 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1b95 h LYS 173 CO 0.64 -0.14 0.44 0.11 -2.27 0.00 0.00 179.45 178.23 1b95 h TRP 174 N -0.22 0.64 -0.33 1.91 5.08 -1.93 -1.56 115.95 119.53 1b95 h TRP 174 Ca 0.09 0.02 -0.12 0.00 1.08 0.00 0.00 58.89 59.95 1b95 h TRP 174 Cb 0.34 -0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 26.28 1b95 h TRP 174 CO -0.27 0.32 -0.28 0.28 -1.28 0.00 0.00 178.44 177.22 1b95 h VAL 175 N 0.62 1.28 -0.03 0.12 2.07 -1.88 -3.16 116.25 115.28 1b95 h VAL 175 Ca 0.30 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1b95 h VAL 175 Cb 0.36 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1b95 h VAL 175 CO -0.10 0.46 -0.10 2.30 0.02 0.00 0.00 177.57 180.15 1b95 n ILE 176 N -4.09 0.00 -1.75 4.57 -5.35 -0.99 -3.27 119.36 108.48 1b95 n ILE 176 Ca -0.01 -0.43 -0.40 0.00 -0.27 0.00 0.00 62.75 61.64 1b95 n ILE 176 Cb 0.45 1.36 0.01 0.00 -1.74 0.00 0.00 39.64 39.73 1b95 n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b95 n ALA 177 N 0.97 1.87 -3.53 -1.28 0.00 -0.62 -0.62 120.51 117.30 1b95 n ALA 177 Ca 0.13 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1b95 n ALA 177 Cb 0.55 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1b95 n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b95 n GLY 178 N 0.63 4.06 0.28 0.00 0.00 -0.05 -3.83 105.19 106.28 1b95 n GLY 178 Ca 0.05 -2.16 0.02 0.00 0.00 0.00 0.00 46.02 43.94 1b95 n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b95 n ASP 179 N -1.26 2.34 -4.29 1.61 5.75 -1.26 -4.74 116.55 114.70 1b95 n ASP 179 Ca 0.00 -1.94 -0.30 0.00 -0.01 0.00 0.00 54.79 52.53 1b95 n ASP 179 Cb 0.00 -0.10 -0.16 0.00 -1.03 0.00 0.00 41.12 39.83 1b95 n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1b95 s LEU 180 N -0.96 2.05 0.52 -2.12 1.43 -1.26 -4.51 118.68 113.83 1b95 s LEU 180 Ca 0.10 -0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 52.54 1b95 s LEU 180 Cb 0.05 -1.28 -0.08 0.00 0.03 0.00 0.00 46.19 44.92 1b95 s LEU 180 CO 0.07 0.30 0.91 0.00 0.23 0.00 0.00 176.35 177.86 1b95 n ALA 181 N 2.52 -0.02 0.13 4.21 0.00 -1.26 -2.40 120.51 123.69 1b95 n ALA 181 Ca -0.16 0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.46 1b95 n ALA 181 Cb 0.51 -2.05 0.04 0.00 0.00 0.00 0.00 19.45 17.95 1b95 n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1b95 h GLY 182 N 0.90 0.00 -2.92 0.00 0.00 -0.08 -3.40 103.07 97.57 1b95 h GLY 182 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1b95 h GLY 182 CO 0.53 0.00 0.19 -1.35 0.00 0.00 0.00 176.54 175.91 1b95 s SER 183 N -5.84 -0.52 0.00 0.19 1.04 -1.22 -4.88 113.70 102.46 1b95 s SER 183 Ca 0.02 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1b95 s SER 183 Cb 0.08 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1b95 s SER 183 CO 0.75 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1b95 n GLY 184 N -0.38 0.18 0.29 7.32 0.00 -1.26 -3.38 105.19 107.96 1b95 n GLY 184 Ca -0.16 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.03 1b95 n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1b95 h ASN 185 N 0.00 0.00 -0.53 1.61 7.08 -2.00 -1.69 115.58 120.05 1b95 h ASN 185 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1b95 h ASN 185 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1b95 h ASN 185 CO 0.00 0.05 0.00 0.35 -2.08 0.00 0.00 177.43 175.75 1b95 n THR 186 N -3.48 1.82 -2.84 6.14 -2.24 -1.26 -5.02 114.28 107.40 1b95 n THR 186 Ca -0.02 -1.30 -0.16 0.00 -2.27 0.00 0.00 64.05 60.29 1b95 n THR 186 Cb 0.17 0.11 0.01 0.00 -2.10 0.00 0.00 70.33 68.51 1b95 n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1b95 n THR 187 N 0.71 -1.83 -4.12 4.28 -2.24 -0.64 -4.80 114.28 105.64 1b95 n THR 187 Ca 0.23 0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.72 1b95 n THR 187 Cb 0.83 -1.65 -0.08 0.00 -2.10 0.00 0.00 70.33 67.33 1b95 n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1b95 s ASN 188 N -1.80 5.08 0.41 3.42 0.02 -1.22 -1.72 114.94 119.13 1b95 s ASN 188 Ca 0.08 -0.17 -0.25 0.00 -1.02 0.00 0.00 52.86 51.50 1b95 s ASN 188 Cb -0.01 -1.22 -0.08 0.00 0.02 0.00 0.00 41.25 39.95 1b95 s ASN 188 CO 0.47 0.16 1.23 -0.63 0.02 0.00 0.00 177.10 178.35 1b95 s ILE 189 N -1.37 2.91 -0.05 0.60 1.01 0.15 0.44 121.20 124.89 1b95 s ILE 189 Ca 0.26 0.78 -0.04 0.00 0.00 0.00 0.00 60.65 61.66 1b95 s ILE 189 Cb -0.11 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1b95 s ILE 189 CO 0.19 0.09 0.13 -0.83 0.00 0.00 0.00 174.94 174.52 1b95 s GLY 190 N -0.97 2.11 0.85 6.18 0.00 -1.01 -0.20 107.32 114.29 1b95 s GLY 190 Ca 0.57 -0.74 -0.11 0.00 0.00 0.00 0.00 44.72 44.44 1b95 s GLY 190 CO 0.43 -0.57 1.19 -1.35 0.00 0.00 0.00 173.10 172.80 1b95 s SER 191 N -1.49 3.77 0.86 1.64 1.04 -0.63 -0.87 113.70 118.03 1b95 s SER 191 Ca 0.21 0.18 -0.10 0.00 0.48 0.00 0.00 55.95 56.72 1b95 s SER 191 Cb -0.12 -0.43 0.11 0.00 0.10 0.00 0.00 66.02 65.69 1b95 s SER 191 CO 0.11 -2.29 1.12 0.27 0.98 0.00 0.00 173.24 173.43 1b95 s ILE 192 N -3.59 2.55 -0.54 -1.02 -4.36 0.21 -4.19 121.20 110.27 1b95 s ILE 192 Ca 0.69 0.18 -0.06 0.00 -0.26 0.00 0.00 60.65 61.20 1b95 s ILE 192 Cb -0.06 -2.39 0.14 0.00 1.25 0.00 0.00 42.46 41.41 1b95 s ILE 192 CO 0.49 -0.23 0.39 -2.28 0.24 0.00 0.00 174.94 173.54 1b95 s HIS 193 N -2.75 3.49 0.34 1.37 5.65 -1.26 -4.41 115.29 117.72 1b95 s HIS 193 Ca 0.65 -2.27 -0.15 0.00 0.25 0.00 0.00 55.06 53.54 1b95 s HIS 193 Cb -0.21 -3.38 0.03 0.00 -1.18 0.00 0.00 32.58 27.85 1b95 s HIS 193 CO 0.57 -0.94 0.70 0.00 -0.65 0.00 0.00 174.74 174.42 1b95 s ALA 194 N 0.76 -0.63 0.79 1.58 0.00 -0.50 -4.87 121.76 118.89 1b95 s ALA 194 Ca 0.11 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 1b95 s ALA 194 Cb -0.22 0.83 0.07 0.00 0.00 0.00 0.00 23.12 23.79 1b95 s ALA 194 CO -0.03 -0.96 1.09 -1.01 0.00 0.00 0.00 175.76 174.85 1b95 s HIS 195 N -3.04 2.51 0.25 0.00 3.76 -1.26 -1.58 115.29 115.93 1b95 s HIS 195 Ca 0.17 1.54 -0.03 0.00 -0.15 0.00 0.00 55.06 56.59 1b95 s HIS 195 Cb -0.04 -3.07 0.47 0.00 1.11 0.00 0.00 32.58 31.04 1b95 s HIS 195 CO 0.11 -1.90 1.76 -0.92 -0.85 0.00 0.00 174.74 172.94 1b95 h TYR 196 N -1.20 0.68 -0.24 1.40 3.20 -1.94 -1.60 116.97 117.26 1b95 h TYR 196 Ca -0.44 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.44 1b95 h TYR 196 Cb 1.24 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 1b95 h TYR 196 CO 0.56 0.17 0.06 1.57 -1.64 0.00 0.00 178.16 178.88 1b95 h LYS 197 N 0.58 0.34 -0.94 1.82 2.10 -2.00 -1.83 116.57 116.64 1b95 h LYS 197 Ca 0.42 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 59.05 1b95 h LYS 197 Cb 0.58 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 31.79 1b95 h LYS 197 CO -0.35 0.31 0.62 -0.44 -2.00 0.00 0.00 179.45 177.60 1b95 h ASP 198 N 0.34 1.06 -0.09 7.07 3.32 -1.64 -0.63 116.42 125.84 1b95 h ASP 198 Ca 0.08 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1b95 h ASP 198 Cb 0.13 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1b95 h ASP 198 CO -0.00 0.75 -0.04 -0.26 -1.72 0.00 0.00 179.24 177.97 1b95 h PHE 199 N 1.25 0.21 -0.17 4.55 -1.00 -1.33 -0.19 116.94 120.26 1b95 h PHE 199 Ca 0.36 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 61.11 1b95 h PHE 199 Cb -0.09 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.40 1b95 h PHE 199 CO -0.00 0.53 0.02 0.28 -1.61 0.00 0.00 178.31 177.53 1b95 h VAL 200 N -0.17 0.90 0.00 -0.55 2.07 -1.18 -2.40 116.25 114.92 1b95 h VAL 200 Ca 0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1b95 h VAL 200 Cb 0.47 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1b95 h VAL 200 CO 0.01 0.01 0.00 -0.62 0.02 0.00 0.00 177.57 177.00 1b95 n GLU 201 N -5.10 0.20 -2.56 1.57 1.02 -0.27 -4.93 120.64 110.56 1b95 n GLU 201 Ca -0.03 0.28 -0.03 0.00 -0.02 0.00 0.00 57.16 57.36 1b95 n GLU 201 Cb 0.09 -1.79 0.01 0.00 -0.02 0.00 0.00 31.44 29.73 1b95 n GLU 201 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b95 n GLY 202 N 0.73 0.64 2.87 0.62 0.00 -0.51 -4.97 105.19 104.57 1b95 n GLY 202 Ca 0.04 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1b95 n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b95 n LYS 203 N -1.25 3.69 -0.43 1.61 4.76 -0.20 -4.92 118.16 121.43 1b95 n LYS 203 Ca -0.01 -3.60 0.00 0.00 -2.87 0.00 0.00 58.31 51.83 1b95 n LYS 203 Cb 0.51 -2.89 0.00 0.00 -1.84 0.00 0.00 35.03 30.81 1b95 n LYS 203 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b95 n GLY 204 N 2.68 0.76 0.00 0.72 0.00 -1.20 -4.94 105.19 103.21 1b95 n GLY 204 Ca 0.39 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.53 1b95 n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b95 n ILE 205 N -0.98 0.00 -3.11 -0.61 -6.64 -1.25 -5.00 119.36 101.76 1b95 n ILE 205 Ca 0.00 -0.25 -0.35 0.00 -1.77 0.00 0.00 62.75 60.38 1b95 n ILE 205 Cb 0.00 0.53 -0.06 0.00 -1.44 0.00 0.00 39.64 38.67 1b95 n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 1b95 s PHE 206 N -2.46 3.56 -0.12 4.28 0.08 -1.26 -4.98 117.98 117.08 1b95 s PHE 206 Ca -0.01 1.33 0.16 0.00 0.12 0.00 0.00 56.93 58.53 1b95 s PHE 206 Cb 0.07 -2.59 -0.11 0.00 -0.57 0.00 0.00 43.02 39.82 1b95 s PHE 206 CO 0.44 0.26 0.94 -0.44 -0.10 0.00 0.00 175.22 176.31 1b95 h ASP 207 N 3.04 0.00 -5.25 1.36 3.32 -1.95 -3.48 116.42 113.46 1b95 h ASP 207 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 1b95 h ASP 207 Cb 1.19 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 1b95 h ASP 207 CO 0.65 0.58 -0.22 -0.94 -1.72 0.00 0.00 179.24 177.60 1b95 s SER 208 N -5.93 -0.04 0.25 6.45 1.04 -1.26 -5.04 113.70 109.17 1b95 s SER 208 Ca -0.02 -0.87 0.09 0.00 0.48 0.00 0.00 55.95 55.64 1b95 s SER 208 Cb 0.08 0.50 0.26 0.00 0.10 0.00 0.00 66.02 66.97 1b95 s SER 208 CO 0.80 -1.00 1.56 -0.08 0.98 0.00 0.00 173.24 175.50 1b95 h GLU 209 N 2.40 0.03 -0.74 4.02 4.81 -1.93 -2.30 114.58 120.87 1b95 h GLU 209 Ca -0.30 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1b95 h GLU 209 Cb 1.24 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1b95 h GLU 209 CO 0.43 0.69 0.38 -0.44 -0.73 0.00 0.00 179.01 179.34 1b95 h ASP 210 N 0.02 0.95 -0.34 1.04 3.32 -1.99 -1.15 116.42 118.28 1b95 h ASP 210 Ca -0.01 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.84 1b95 h ASP 210 Cb 1.19 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1b95 h ASP 210 CO 0.09 0.80 -0.11 -0.08 -1.72 0.00 0.00 179.24 178.22 1b95 h GLU 211 N 1.03 0.67 -0.20 3.56 4.81 -1.93 0.24 114.58 122.77 1b95 h GLU 211 Ca 0.26 -0.27 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1b95 h GLU 211 Cb 0.08 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.35 1b95 h GLU 211 CO -0.04 0.85 -0.37 0.35 -0.73 0.00 0.00 179.01 179.08 1b95 h PHE 212 N 0.45 -1.04 -0.65 0.92 3.57 -1.16 0.57 116.94 119.61 1b95 h PHE 212 Ca 0.08 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1b95 h PHE 212 Cb 0.62 0.48 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 1b95 h PHE 212 CO 0.05 -0.43 0.34 -0.07 -2.23 0.00 0.00 178.31 175.98 1b95 h LEU 213 N -0.40 0.82 -0.27 0.59 3.38 -1.11 -1.52 115.31 116.80 1b95 h LEU 213 Ca 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1b95 h LEU 213 Cb 0.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1b95 h LEU 213 CO -0.42 0.69 0.09 -0.78 0.09 0.00 0.00 178.44 178.11 1b95 h ASP 214 N 0.89 0.39 0.18 -0.43 3.58 -0.55 -0.15 116.42 120.32 1b95 h ASP 214 Ca 0.23 -0.20 0.01 0.00 0.42 0.00 0.00 57.03 57.49 1b95 h ASP 214 Cb 0.06 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 1b95 h ASP 214 CO -0.03 0.48 -0.30 0.22 -2.88 0.00 0.00 179.24 176.72 1b95 h TYR 215 N 0.27 -0.82 0.00 0.28 5.03 -0.73 -2.66 116.97 118.35 1b95 h TYR 215 Ca 0.09 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.37 1b95 h TYR 215 Cb 0.23 0.34 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 1b95 h TYR 215 CO 0.00 -0.42 -0.21 -1.49 -1.32 0.00 0.00 178.16 174.72 1b95 h TRP 216 N -0.56 0.00 0.00 -3.82 4.06 -1.23 -1.62 115.95 112.79 1b95 h TRP 216 Ca 0.02 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.93 1b95 h TRP 216 Cb 0.56 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 1b95 h TRP 216 CO -0.25 0.21 -0.20 0.00 -3.56 0.00 0.00 178.44 174.65 1b95 h ARG 217 N 0.00 0.00 -0.12 0.49 3.08 -0.94 -3.24 114.38 113.65 1b95 h ARG 217 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b95 h ARG 217 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1b95 h ARG 217 CO 0.03 0.20 0.00 0.09 -1.07 0.00 0.00 179.97 179.21 1b95 n ASN 218 N -3.26 2.17 -4.70 7.04 3.02 -1.01 -5.01 115.26 113.50 1b95 n ASN 218 Ca 0.01 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.33 1b95 n ASN 218 Cb 0.48 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 1b95 n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b95 s TYR 219 N -0.86 3.17 0.40 3.10 5.04 -0.63 -4.96 117.35 122.61 1b95 s TYR 219 Ca 0.09 1.11 -0.20 0.00 -2.44 0.00 0.00 57.07 55.63 1b95 s TYR 219 Cb 0.05 -3.51 -0.10 0.00 0.35 0.00 0.00 41.96 38.75 1b95 s TYR 219 CO 0.07 -1.69 0.91 -1.21 -1.34 0.00 0.00 175.55 172.28 1b95 s GLU 220 N 1.84 4.22 0.44 4.97 0.41 -1.26 -4.99 118.70 124.33 1b95 s GLU 220 Ca 0.60 1.06 0.21 0.00 -0.41 0.00 0.00 54.97 56.42 1b95 s GLU 220 Cb -0.29 -2.30 1.02 0.00 -1.78 0.00 0.00 34.13 30.79 1b95 s GLU 220 CO 0.26 0.04 1.91 0.00 -0.49 0.00 0.00 175.26 176.98 1b95 h ARG 221 N 2.12 0.00 -5.29 1.61 3.08 -1.95 -3.44 114.38 110.50 1b95 h ARG 221 Ca -0.49 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.13 1b95 h ARG 221 Cb 1.18 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.09 1b95 h ARG 221 CO 0.62 0.25 -0.67 0.95 -1.07 0.00 0.00 179.97 180.06 1b95 s THR 222 N -4.03 1.34 0.23 2.04 -4.23 -1.26 -5.01 115.64 104.71 1b95 s THR 222 Ca -0.02 -2.08 -0.08 0.00 -1.18 0.00 0.00 61.69 58.33 1b95 s THR 222 Cb 0.13 -2.36 0.20 0.00 1.34 0.00 0.00 72.50 71.80 1b95 s THR 222 CO 0.65 -0.34 1.89 0.28 -0.54 0.00 0.00 174.62 176.57 1b95 h SER 223 N 2.40 0.96 -0.47 3.99 0.02 -1.97 -0.87 113.55 117.60 1b95 h SER 223 Ca -0.39 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.58 1b95 h SER 223 Cb 1.23 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 1b95 h SER 223 CO 0.66 0.69 0.25 -0.61 -1.14 0.00 0.00 176.83 176.67 1b95 h GLN 224 N 1.13 0.47 0.00 3.45 4.15 -1.98 0.38 115.11 122.72 1b95 h GLN 224 Ca 0.32 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.71 1b95 h GLN 224 Cb -0.10 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.49 1b95 h GLN 224 CO -0.08 0.31 0.00 -0.07 -1.93 0.00 0.00 178.83 177.06 1b95 h LEU 225 N 0.49 0.00 0.00 -2.39 3.38 -1.88 -3.22 115.31 111.69 1b95 h LEU 225 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1b95 h LEU 225 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1b95 h LEU 225 CO -0.13 0.00 -0.79 0.03 0.09 0.00 0.00 178.44 177.64 1b95 h ARG 226 N 0.00 0.00 -0.71 1.13 3.08 -0.54 -3.34 114.38 114.00 1b95 h ARG 226 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1b95 h ARG 226 Cb 0.90 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 1b95 h ARG 226 CO 0.00 0.00 0.47 -0.91 -1.07 0.00 0.00 179.97 178.46 1b95 h ASN 227 N 0.00 0.71 0.31 7.04 4.21 -0.94 -2.31 115.58 124.60 1b95 h ASN 227 Ca 0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1b95 h ASN 227 Cb 0.90 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.94 1b95 h ASN 227 CO 0.00 0.48 -0.86 -0.90 -1.29 0.00 0.00 177.43 174.86 1b95 n ASP 228 N -4.46 0.69 0.00 5.81 5.75 -1.26 -4.82 116.55 118.25 1b95 n ASP 228 Ca 0.09 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 1b95 n ASP 228 Cb 0.15 0.70 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 1b95 n ASP 228 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1b95 n LYS 229 N -1.67 0.00 -3.58 0.11 4.81 -0.93 -5.08 118.16 111.83 1b95 n LYS 229 Ca 0.04 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.32 1b95 n LYS 229 Cb 0.37 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.36 1b95 n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1b95 s TYR 230 N 0.00 -0.70 -0.09 5.64 -0.85 -0.92 -4.83 117.35 115.60 1b95 s TYR 230 Ca 0.00 1.46 0.07 0.00 -0.52 0.00 0.00 57.07 58.08 1b95 s TYR 230 Cb 0.00 0.34 -0.10 0.00 0.38 0.00 0.00 41.96 42.58 1b95 s TYR 230 CO 0.00 -0.50 0.18 0.09 -1.52 0.00 0.00 175.55 173.80 1b95 n ASN 231 N 1.72 2.59 -3.12 -0.18 3.02 -1.26 -4.72 115.26 113.31 1b95 n ASN 231 Ca -0.17 -0.18 -0.13 0.00 -0.03 0.00 0.00 54.58 54.07 1b95 n ASN 231 Cb 0.56 1.22 -0.02 0.00 -0.61 0.00 0.00 39.78 40.94 1b95 n ASN 231 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1b95 s ASN 232 N -2.46 0.63 0.19 6.41 2.20 -1.26 -4.73 114.94 115.93 1b95 s ASN 232 Ca -0.01 -1.38 -0.09 0.00 -0.94 0.00 0.00 52.86 50.44 1b95 s ASN 232 Cb 0.04 0.73 0.09 0.00 -2.00 0.00 0.00 41.25 40.12 1b95 s ASN 232 CO 0.28 -1.44 1.68 -0.29 -2.94 0.00 0.00 177.10 174.39 1b95 h ILE 233 N 2.07 1.26 -0.17 0.54 6.09 -1.98 -0.00 117.51 125.32 1b95 h ILE 233 Ca -0.30 -1.06 -0.00 0.00 -1.37 0.00 0.00 64.86 62.14 1b95 h ILE 233 Cb 1.24 0.65 -0.01 0.00 0.47 0.00 0.00 36.82 39.17 1b95 h ILE 233 CO 0.39 0.40 0.10 0.28 -3.07 0.00 0.00 178.15 176.25 1b95 h SER 234 N 1.04 0.20 -0.71 2.19 0.02 -1.99 -0.17 113.55 114.13 1b95 h SER 234 Ca 0.20 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1b95 h SER 234 Cb 0.46 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1b95 h SER 234 CO 0.02 0.20 0.41 -0.33 -1.14 0.00 0.00 176.83 175.99 1b95 h GLU 235 N 0.19 0.98 -0.31 3.45 5.08 -1.94 -1.54 114.58 120.49 1b95 h GLU 235 Ca 0.06 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1b95 h GLU 235 Cb 0.04 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1b95 h GLU 235 CO -0.01 0.71 0.15 -0.92 -1.00 0.00 0.00 179.01 177.95 1b95 h TYR 236 N 0.98 0.29 -0.30 4.33 3.20 -0.56 0.26 116.97 125.17 1b95 h TYR 236 Ca 0.25 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1b95 h TYR 236 Cb 0.00 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1b95 h TYR 236 CO -0.01 0.16 -0.09 0.00 -1.64 0.00 0.00 178.16 176.58 1b95 h ARG 237 N 0.32 0.49 -0.40 1.82 3.08 -0.69 0.01 114.38 119.02 1b95 h ARG 237 Ca 0.13 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 1b95 h ARG 237 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1b95 h ARG 237 CO -0.09 0.58 -0.24 -0.91 -1.07 0.00 0.00 179.97 178.24 1b95 h ASN 238 N 0.46 0.91 -0.45 7.04 2.35 -0.86 -0.00 115.58 125.03 1b95 h ASN 238 Ca 0.09 -0.42 0.04 0.00 -0.55 0.00 0.00 56.30 55.46 1b95 h ASN 238 Cb 0.43 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1b95 h ASN 238 CO 0.02 1.13 0.22 -0.25 -1.65 0.00 0.00 177.43 176.91 1b95 h TRP 239 N 0.69 0.41 -0.08 1.19 7.01 -0.67 -0.20 115.95 124.29 1b95 h TRP 239 Ca 0.08 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.10 1b95 h TRP 239 Cb 0.81 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.75 1b95 h TRP 239 CO 0.06 0.21 0.05 0.82 -2.79 0.00 0.00 178.44 176.79 1b95 h ILE 240 N 0.45 1.04 -0.92 2.65 1.08 -0.84 0.40 117.51 121.36 1b95 h ILE 240 Ca 0.20 -0.09 0.07 0.00 -0.39 0.00 0.00 64.86 64.64 1b95 h ILE 240 Cb 0.10 0.95 -0.07 0.00 -3.07 0.00 0.00 36.82 34.74 1b95 h ILE 240 CO -0.14 0.03 0.58 0.22 -0.69 0.00 0.00 178.15 178.16 1b95 h TYR 241 N 0.10 1.08 0.00 1.37 3.20 -0.21 -1.50 116.97 121.01 1b95 h TYR 241 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1b95 h TYR 241 Cb 0.01 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.93 1b95 h TYR 241 CO -0.07 0.54 0.00 0.54 -1.64 0.00 0.00 178.16 177.53 1b95 n ARG 242 N -4.58 0.13 0.00 1.82 1.74 -0.16 -4.88 116.66 110.73 1b95 n ARG 242 Ca 0.14 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1b95 n ARG 242 Cb 0.19 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 1b95 n ARG 242 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b95 n GLY 243 N 0.43 1.57 3.06 -0.13 0.00 -0.56 -4.67 105.19 104.89 1b95 n GLY 243 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1b95 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b95 n ARG 244 N -0.39 -4.52 0.00 1.61 1.74 0.14 -5.00 116.66 110.24 1b95 n ARG 244 Ca 0.00 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 1b95 n ARG 244 Cb 0.00 -5.34 0.00 0.00 -1.02 0.00 0.00 32.46 26.10 1b95 n ARG 244 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47