#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpw h LEU 3 N 0.00 0.00 -1.46 -4.53 7.12 -2.02 -3.11 115.31 111.31 1rpw h LEU 3 Ca 0.00 0.00 0.37 0.00 0.13 0.00 0.00 57.88 58.38 1rpw h LEU 3 Cb 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 40.02 1rpw h LEU 3 CO 0.00 0.07 0.80 0.50 -0.13 0.00 0.00 178.44 179.68 1rpw h LYS 4 N 0.00 0.19 0.00 1.25 3.64 -2.00 0.55 116.57 120.20 1rpw h LYS 4 Ca -0.00 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1rpw h LYS 4 Cb 0.40 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1rpw h LYS 4 CO 0.01 0.12 -0.44 -0.44 -2.27 0.00 0.00 179.45 176.44 1rpw h ASP 5 N 0.19 0.00 -0.10 4.20 3.32 -1.97 -1.04 116.42 121.01 1rpw h ASP 5 Ca 0.72 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.73 1rpw h ASP 5 Cb 2.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.73 1rpw h ASP 5 CO -0.32 0.44 -0.09 0.50 -1.72 0.00 0.00 179.24 178.04 1rpw h LYS 6 N 0.00 0.24 0.70 3.56 1.63 -0.11 -1.91 116.57 120.68 1rpw h LYS 6 Ca -0.00 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 1rpw h LYS 6 Cb 0.95 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1rpw h LYS 6 CO 0.06 0.65 -0.36 0.82 -3.45 0.00 0.00 179.45 177.16 1rpw h ILE 7 N -0.15 0.00 -0.96 2.00 1.08 -1.33 0.11 117.51 118.26 1rpw h ILE 7 Ca 0.02 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.78 1rpw h ILE 7 Cb 0.60 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.20 1rpw h ILE 7 CO 0.02 0.00 0.46 -0.07 -0.69 0.00 0.00 178.15 177.87 1rpw h LEU 8 N -0.97 0.36 0.66 1.44 3.38 -1.27 0.16 115.31 119.07 1rpw h LEU 8 Ca -0.10 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1rpw h LEU 8 Cb 0.75 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.68 1rpw h LEU 8 CO 0.14 -0.12 -0.32 1.23 0.09 0.00 0.00 178.44 179.46 1rpw h GLY 9 N 0.31 -0.92 0.73 0.83 0.00 -1.02 -1.24 103.07 101.75 1rpw h GLY 9 Ca 0.67 0.34 0.07 0.00 0.00 0.00 0.00 47.33 48.41 1rpw h GLY 9 CO -0.61 -0.34 0.64 -2.08 0.00 0.00 0.00 176.54 174.15 1rpw h VAL 10 N -1.22 1.07 0.19 4.60 2.07 -0.47 -2.52 116.25 119.98 1rpw h VAL 10 Ca -0.09 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1rpw h VAL 10 Cb 0.68 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1rpw h VAL 10 CO 0.15 0.21 -0.17 0.00 0.02 0.00 0.00 177.57 177.78 1rpw h ALA 11 N 1.47 -0.35 -0.82 1.67 0.00 -0.69 -1.49 119.26 119.05 1rpw h ALA 11 Ca 0.43 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.41 1rpw h ALA 11 Cb 0.20 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1rpw h ALA 11 CO -0.18 -0.72 0.44 -0.22 0.00 0.00 0.00 179.25 178.57 1rpw h LYS 12 N -0.38 0.67 -0.66 0.00 3.64 -0.87 0.56 116.57 119.53 1rpw h LYS 12 Ca -0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1rpw h LYS 12 Cb 0.35 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1rpw h LYS 12 CO -0.03 0.44 0.15 1.49 -2.27 0.00 0.00 179.45 179.23 1rpw h GLU 13 N 0.69 1.04 -0.25 1.90 4.57 -1.14 -2.48 114.58 118.91 1rpw h GLU 13 Ca 0.42 -0.24 -0.19 0.00 -1.18 0.00 0.00 59.36 58.16 1rpw h GLU 13 Cb 0.49 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1rpw h GLU 13 CO -0.30 0.93 -0.60 -0.07 -1.18 0.00 0.00 179.01 177.79 1rpw h LEU 14 N 0.99 0.96 -2.04 1.64 3.38 -0.16 -1.13 115.31 118.95 1rpw h LEU 14 Ca 0.21 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1rpw h LEU 14 Cb 0.36 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1rpw h LEU 14 CO 0.00 1.35 -0.06 -0.26 0.09 0.00 0.00 178.44 179.56 1rpw h PHE 15 N 0.62 0.00 0.00 1.13 0.05 -0.82 0.17 116.94 118.09 1rpw h PHE 15 Ca -0.00 0.00 -0.25 0.00 3.82 0.00 0.00 57.97 61.54 1rpw h PHE 15 Cb 1.21 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.12 1rpw h PHE 15 CO 0.08 0.06 -1.56 0.82 -0.18 0.00 0.00 178.31 177.52 1rpw h ILE 16 N 0.00 0.80 0.09 -0.55 2.04 -1.27 -1.90 117.51 116.72 1rpw h ILE 16 Ca -0.00 -2.54 -0.18 0.00 1.00 0.00 0.00 64.86 63.14 1rpw h ILE 16 Cb 0.31 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1rpw h ILE 16 CO 0.01 0.46 -0.87 0.50 0.00 0.00 0.00 178.15 178.25 1rpw h LYS 17 N 0.00 0.18 0.00 2.37 3.64 -0.49 -3.41 116.57 118.86 1rpw h LYS 17 Ca -0.23 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1rpw h LYS 17 Cb 1.87 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 1rpw h LYS 17 CO 0.07 1.15 -0.65 0.09 -2.27 0.00 0.00 179.45 177.84 1rpw n ASN 18 N -4.21 1.18 0.00 4.20 3.02 0.53 -5.09 115.26 114.89 1rpw n ASN 18 Ca -0.19 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1rpw n ASN 18 Cb 0.75 1.10 0.00 0.00 -0.61 0.00 0.00 39.78 41.03 1rpw n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rpw n GLY 19 N 1.43 -0.11 0.45 7.41 0.00 -0.71 -4.32 105.19 109.33 1rpw n GLY 19 Ca 0.01 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 1rpw n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rpw h TYR 20 N 0.00 -1.18 -0.77 1.61 3.20 -1.76 -3.25 116.97 114.82 1rpw h TYR 20 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1rpw h TYR 20 Cb 0.00 0.45 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1rpw h TYR 20 CO 0.00 -0.60 0.43 -0.91 -1.64 0.00 0.00 178.16 175.43 1rpw h ASN 21 N -0.92 0.96 0.20 -2.11 2.35 -1.90 -2.82 115.58 111.34 1rpw h ASN 21 Ca -0.05 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1rpw h ASN 21 Cb 0.80 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1rpw h ASN 21 CO -0.03 0.77 0.00 0.00 -1.65 0.00 0.00 177.43 176.52 1rpw n ALA 22 N -2.36 2.08 -3.31 -0.83 0.00 -1.24 -4.58 120.51 110.27 1rpw n ALA 22 Ca 0.07 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1rpw n ALA 22 Cb 0.09 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.11 1rpw n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rpw s THR 23 N -2.34 3.67 0.27 0.00 2.01 -1.06 -4.99 115.64 113.20 1rpw s THR 23 Ca 0.22 -1.22 -0.09 0.00 0.31 0.00 0.00 61.69 60.92 1rpw s THR 23 Cb 0.13 -3.11 -0.07 0.00 0.01 0.00 0.00 72.50 69.46 1rpw s THR 23 CO 0.26 -0.20 0.59 0.42 -0.69 0.00 0.00 174.62 175.00 1rpw s THR 24 N 1.37 4.91 0.39 -0.82 -4.23 -1.26 -4.96 115.64 111.05 1rpw s THR 24 Ca -0.02 0.44 0.07 0.00 -1.18 0.00 0.00 61.69 61.00 1rpw s THR 24 Cb -0.20 -3.66 0.28 0.00 1.34 0.00 0.00 72.50 70.26 1rpw s THR 24 CO 0.02 -0.19 2.02 0.71 -0.54 0.00 0.00 174.62 176.64 1rpw h THR 25 N 1.74 1.07 -0.56 3.99 1.35 -1.98 -1.48 112.91 117.04 1rpw h THR 25 Ca -0.47 -0.21 0.11 0.00 -0.55 0.00 0.00 66.41 65.29 1rpw h THR 25 Cb 1.18 0.40 -0.11 0.00 -1.73 0.00 0.00 68.15 67.88 1rpw h THR 25 CO 0.67 0.11 -0.15 1.23 -0.25 0.00 0.00 175.52 177.13 1rpw h GLY 26 N 0.62 0.38 2.00 5.82 0.00 -2.00 0.37 103.07 110.27 1rpw h GLY 26 Ca 0.21 0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.67 1rpw h GLY 26 CO -0.05 -0.22 -0.33 -2.09 0.00 0.00 0.00 176.54 173.85 1rpw h GLU 27 N -0.01 0.00 0.58 4.80 4.81 -1.69 -2.70 114.58 120.37 1rpw h GLU 27 Ca 0.27 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1rpw h GLU 27 Cb 0.43 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.81 1rpw h GLU 27 CO -0.59 0.33 -0.28 0.82 -0.73 0.00 0.00 179.01 178.56 1rpw h ILE 28 N 0.00 0.36 0.12 2.32 1.08 0.27 -2.82 117.51 118.83 1rpw h ILE 28 Ca -0.00 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1rpw h ILE 28 Cb 0.85 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 1rpw h ILE 28 CO 0.04 0.03 -0.13 0.58 -0.69 0.00 0.00 178.15 177.99 1rpw h VAL 29 N -0.95 0.00 0.00 1.67 2.07 -0.58 -2.21 116.25 116.25 1rpw h VAL 29 Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1rpw h VAL 29 Cb 0.65 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1rpw h VAL 29 CO 0.13 0.00 -0.01 0.07 0.02 0.00 0.00 177.57 177.79 1rpw h LYS 30 N -0.25 0.00 0.00 1.57 2.10 -1.63 0.43 116.57 118.79 1rpw h LYS 30 Ca -0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 1rpw h LYS 30 Cb 0.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1rpw h LYS 30 CO -0.02 0.01 -0.39 1.25 -2.00 0.00 0.00 179.45 178.29 1rpw h LEU 31 N 0.00 0.00 -1.01 7.07 5.85 -1.41 -3.23 115.31 122.57 1rpw h LEU 31 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1rpw h LEU 31 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1rpw h LEU 31 CO 0.00 0.08 -0.26 -1.54 -0.34 0.00 0.00 178.44 176.37 1rpw n SER 32 N -2.99 1.74 -2.13 1.25 3.41 -0.25 -5.01 113.62 109.64 1rpw n SER 32 Ca 0.02 -1.37 -0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1rpw n SER 32 Cb 0.57 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 1rpw n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rpw n GLU 33 N 0.06 -1.74 0.00 4.33 1.02 0.14 -4.82 120.64 119.63 1rpw n GLU 33 Ca 0.07 1.64 0.00 0.00 -0.02 0.00 0.00 57.16 58.85 1rpw n GLU 33 Cb 0.34 -3.30 0.00 0.00 -0.02 0.00 0.00 31.44 28.46 1rpw n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rpw n SER 34 N 0.28 0.00 -4.05 1.62 2.88 -1.11 -4.99 113.62 108.25 1rpw n SER 34 Ca 0.01 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.39 1rpw n SER 34 Cb 0.03 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.36 1rpw n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1rpw s SER 35 N 2.00 1.00 0.17 -3.46 1.04 -1.26 -4.59 113.70 108.60 1rpw s SER 35 Ca 0.00 -0.36 -0.22 0.00 0.48 0.00 0.00 55.95 55.85 1rpw s SER 35 Cb 0.00 -0.04 0.08 0.00 0.10 0.00 0.00 66.02 66.15 1rpw s SER 35 CO 0.00 -0.04 1.60 0.50 0.98 0.00 0.00 173.24 176.28 1rpw h LYS 36 N 5.19 -0.22 -0.75 4.02 3.64 -1.97 0.38 116.57 126.86 1rpw h LYS 36 Ca -0.33 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.27 1rpw h LYS 36 Cb 1.19 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1rpw h LYS 36 CO 0.45 -0.15 0.53 0.78 -2.27 0.00 0.00 179.45 178.80 1rpw h GLY 37 N -0.23 0.14 0.60 5.01 0.00 -1.98 0.07 103.07 106.68 1rpw h GLY 37 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1rpw h GLY 37 CO -0.56 0.00 -0.03 -0.57 0.00 0.00 0.00 176.54 175.39 1rpw h ASN 38 N 0.07 -0.06 -0.78 0.19 -0.73 -0.69 0.25 115.58 113.82 1rpw h ASN 38 Ca 0.36 -0.37 0.10 0.00 1.87 0.00 0.00 56.30 58.27 1rpw h ASN 38 Cb 1.34 0.02 -0.05 0.00 0.27 0.00 0.00 38.32 39.89 1rpw h ASN 38 CO -0.03 0.34 0.51 0.25 -0.37 0.00 0.00 177.43 178.13 1rpw h LEU 39 N -0.48 0.63 -0.11 0.34 6.46 -0.27 0.20 115.31 122.08 1rpw h LEU 39 Ca -0.01 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1rpw h LEU 39 Cb 0.43 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1rpw h LEU 39 CO 0.01 0.37 -0.03 1.88 -0.62 0.00 0.00 178.44 180.05 1rpw h TYR 40 N 0.69 0.24 -0.90 1.25 -1.99 -0.83 -1.06 116.97 114.37 1rpw h TYR 40 Ca 0.36 -0.05 0.22 0.00 2.00 0.00 0.00 58.73 61.26 1rpw h TYR 40 Cb 0.48 -0.06 -0.06 0.00 2.00 0.00 0.00 36.73 39.09 1rpw h TYR 40 CO -0.00 0.52 0.60 -0.92 -0.00 0.00 0.00 178.16 178.36 1rpw h TYR 41 N -0.12 0.43 0.10 4.88 3.20 0.15 1.16 116.97 126.77 1rpw h TYR 41 Ca 0.03 0.01 -0.35 0.00 3.14 0.00 0.00 58.73 61.56 1rpw h TYR 41 Cb 0.45 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1rpw h TYR 41 CO 0.05 0.11 -1.91 0.72 -1.64 0.00 0.00 178.16 175.49 1rpw n HIS 42 N -4.47 1.14 0.00 -3.82 8.25 -0.61 -4.70 115.22 111.02 1rpw n HIS 42 Ca 0.19 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 1rpw n HIS 42 Cb 0.76 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 30.72 1rpw n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rpw n PHE 43 N -3.64 0.00 0.00 4.41 3.01 -0.41 -5.06 117.46 115.77 1rpw n PHE 43 Ca -0.33 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.13 1rpw n PHE 43 Cb 0.98 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.45 1rpw n PHE 43 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1rpw n LYS 44 N -1.08 0.00 -4.27 -1.08 4.01 0.40 -4.48 118.16 111.66 1rpw n LYS 44 Ca 0.00 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.63 1rpw n LYS 44 Cb 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.38 1rpw n LYS 44 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1rpw s THR 45 N 0.00 0.58 0.37 -0.18 -1.32 -1.26 -4.49 115.64 109.34 1rpw s THR 45 Ca 0.00 -0.34 0.20 0.00 -1.21 0.00 0.00 61.69 60.33 1rpw s THR 45 Cb 0.00 -0.50 0.36 0.00 -1.51 0.00 0.00 72.50 70.85 1rpw s THR 45 CO 0.00 0.15 1.62 0.50 -2.21 0.00 0.00 174.62 174.67 1rpw h LYS 46 N 5.91 0.13 -0.08 7.08 3.64 -1.94 2.06 116.57 133.37 1rpw h LYS 46 Ca -0.30 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1rpw h LYS 46 Cb 1.19 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1rpw h LYS 46 CO 0.50 0.08 0.05 1.05 -2.27 0.00 0.00 179.45 178.86 1rpw h GLU 47 N 0.13 0.08 0.02 1.90 -0.00 -1.95 -0.54 114.58 114.22 1rpw h GLU 47 Ca 0.80 -0.00 -0.27 0.00 -0.00 0.00 0.00 59.36 59.89 1rpw h GLU 47 Cb 2.07 -0.02 -0.04 0.00 -0.00 0.00 0.00 28.75 30.77 1rpw h GLU 47 CO -0.67 0.05 -1.44 -0.97 -0.00 0.00 0.00 179.01 175.98 1rpw h ASN 48 N 0.08 0.06 -0.38 3.06 -1.24 0.30 -2.91 115.58 114.56 1rpw h ASN 48 Ca 0.03 -0.10 0.01 0.00 0.71 0.00 0.00 56.30 56.95 1rpw h ASN 48 Cb 0.02 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1rpw h ASN 48 CO -0.01 1.08 0.24 0.25 -1.29 0.00 0.00 177.43 177.71 1rpw h LEU 49 N 0.01 0.41 -1.16 0.34 5.85 -0.19 -0.41 115.31 120.16 1rpw h LEU 49 Ca -0.19 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 1rpw h LEU 49 Cb 1.93 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 1rpw h LEU 49 CO 0.11 0.30 -0.22 0.15 -0.34 0.00 0.00 178.44 178.43 1rpw h PHE 50 N 0.49 0.34 -0.39 1.25 3.04 -1.22 -0.99 116.94 119.46 1rpw h PHE 50 Ca 0.14 -0.06 -0.10 0.00 3.98 0.00 0.00 57.97 61.93 1rpw h PHE 50 Cb -0.04 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.37 1rpw h PHE 50 CO -0.06 0.52 -0.16 -0.07 -2.02 0.00 0.00 178.31 176.52 1rpw h LEU 51 N 0.29 0.72 0.41 0.59 3.38 -1.08 -0.55 115.31 119.06 1rpw h LEU 51 Ca 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1rpw h LEU 51 Cb 0.55 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1rpw h LEU 51 CO 0.04 0.89 -0.19 -0.08 0.09 0.00 0.00 178.44 179.18 1rpw h GLU 52 N 0.65 -0.53 -1.18 1.13 4.81 -0.61 -1.68 114.58 117.18 1rpw h GLU 52 Ca 0.10 0.04 0.34 0.00 -0.13 0.00 0.00 59.36 59.70 1rpw h GLU 52 Cb 0.64 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.05 1rpw h GLU 52 CO 0.04 -0.22 0.79 0.82 -0.73 0.00 0.00 179.01 179.72 1rpw h ILE 53 N -0.87 0.39 0.25 2.32 2.04 -1.06 0.68 117.51 121.26 1rpw h ILE 53 Ca -0.06 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1rpw h ILE 53 Cb 0.55 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1rpw h ILE 53 CO 0.09 0.04 -0.12 0.25 0.00 0.00 0.00 178.15 178.41 1rpw h LEU 54 N 0.20 -0.29 -1.17 1.44 5.85 -0.63 -2.03 115.31 118.68 1rpw h LEU 54 Ca 0.65 -0.22 0.11 0.00 0.84 0.00 0.00 57.88 59.25 1rpw h LEU 54 Cb 2.03 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 43.06 1rpw h LEU 54 CO -0.23 0.11 0.59 0.78 -0.34 0.00 0.00 178.44 179.35 1rpw h ASN 55 N -0.74 0.81 0.40 1.25 2.35 -0.01 -0.63 115.58 119.00 1rpw h ASN 55 Ca -0.03 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1rpw h ASN 55 Cb 0.50 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1rpw h ASN 55 CO 0.06 0.45 -0.26 0.40 -1.65 0.00 0.00 177.43 176.42 1rpw h ILE 56 N 0.88 0.45 -0.05 2.81 1.08 -1.05 -1.42 117.51 120.22 1rpw h ILE 56 Ca 0.44 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.92 1rpw h ILE 56 Cb 0.49 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1rpw h ILE 56 CO -0.21 0.00 -0.01 -0.33 -0.69 0.00 0.00 178.15 176.91 1rpw h GLU 57 N -0.64 0.00 -0.06 2.37 4.39 -0.59 0.21 114.58 120.26 1rpw h GLU 57 Ca -0.04 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1rpw h GLU 57 Cb 0.53 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1rpw h GLU 57 CO 0.03 0.00 0.05 0.93 -1.16 0.00 0.00 179.01 178.86 1rpw h GLU 58 N 0.00 0.00 0.00 2.33 4.39 -1.08 -2.51 114.58 117.71 1rpw h GLU 58 Ca 0.02 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 1rpw h GLU 58 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1rpw h GLU 58 CO -0.05 0.00 -0.57 0.66 -1.16 0.00 0.00 179.01 177.89 1rpw h SER 59 N 0.00 0.00 0.00 1.42 4.64 -0.57 -1.86 113.55 117.18 1rpw h SER 59 Ca 0.03 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 1rpw h SER 59 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1rpw h SER 59 CO -0.00 1.22 0.00 0.29 -0.87 0.00 0.00 176.83 177.47 1rpw n LYS 60 N -4.53 0.39 0.02 4.77 5.02 0.66 -1.14 118.16 123.36 1rpw n LYS 60 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1rpw n LYS 60 Cb 0.57 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 1rpw n LYS 60 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1rpw n TRP 61 N -0.01 -0.12 0.62 2.13 -0.00 -0.97 -4.15 117.44 114.95 1rpw n TRP 61 Ca 0.00 0.02 0.06 0.00 -0.00 0.00 0.00 57.50 57.58 1rpw n TRP 61 Cb 0.06 0.06 0.32 0.00 -0.00 0.00 0.00 31.31 31.75 1rpw n TRP 61 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 1rpw n GLN 62 N -3.15 0.24 -0.10 5.87 7.27 -0.70 -1.03 117.38 125.78 1rpw n GLN 62 Ca 0.00 0.12 -0.17 0.00 0.07 0.00 0.00 57.00 57.02 1rpw n GLN 62 Cb 0.28 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.36 1rpw n GLN 62 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1rpw n GLU 63 N -1.20 0.53 0.22 3.69 2.13 -0.29 -3.42 120.64 122.31 1rpw n GLU 63 Ca 0.07 0.47 0.15 0.00 0.66 0.00 0.00 57.16 58.51 1rpw n GLU 63 Cb 0.08 -1.65 0.77 0.00 0.27 0.00 0.00 31.44 30.91 1rpw n GLU 63 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1rpw h GLN 64 N -1.00 0.00 0.12 5.31 4.15 -1.52 -1.22 115.11 120.95 1rpw h GLN 64 Ca -0.27 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 58.82 1rpw h GLN 64 Cb 1.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1rpw h GLN 64 CO -0.16 0.00 -1.76 2.35 -1.93 0.00 0.00 178.83 177.32 1rpw h TRP 65 N 0.00 0.46 -0.68 3.99 -0.00 -1.24 -3.20 115.95 115.27 1rpw h TRP 65 Ca 0.00 -0.34 0.06 0.00 -0.00 0.00 0.00 58.89 58.61 1rpw h TRP 65 Cb 0.08 -0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 29.17 1rpw h TRP 65 CO 0.00 1.53 0.38 -0.22 -0.00 0.00 0.00 178.44 180.14 1rpw h LYS 66 N 0.07 0.69 0.00 2.65 1.63 -1.26 0.18 116.57 120.53 1rpw h LYS 66 Ca -0.33 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1rpw h LYS 66 Cb 2.04 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.52 1rpw h LYS 66 CO 0.13 0.45 0.00 1.63 -3.45 0.00 0.00 179.45 178.21 1rpw n LYS 67 N -4.77 0.63 0.00 1.90 5.02 -0.94 -3.74 118.16 116.26 1rpw n LYS 67 Ca 0.09 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1rpw n LYS 67 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1rpw n LYS 67 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1rpw n GLU 68 N -1.12 4.26 0.00 1.97 1.02 -0.35 -4.69 120.64 121.73 1rpw n GLU 68 Ca 0.17 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.39 1rpw n GLU 68 Cb 0.14 -0.43 0.40 0.00 -0.02 0.00 0.00 31.44 31.52 1rpw n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rpw n GLN 69 N -0.75 0.08 0.01 3.49 10.64 0.50 -3.23 117.38 128.13 1rpw n GLN 69 Ca 0.00 0.17 -0.12 0.00 -1.83 0.00 0.00 57.00 55.23 1rpw n GLN 69 Cb 0.00 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 27.82 1rpw n GLN 69 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1rpw h ILE 70 N 0.00 1.07 0.00 -0.39 5.03 -1.83 -2.86 117.51 118.53 1rpw h ILE 70 Ca 0.00 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1rpw h ILE 70 Cb 0.26 1.11 0.00 0.00 -3.03 0.00 0.00 36.82 35.16 1rpw h ILE 70 CO 0.00 0.06 0.00 0.29 -0.68 0.00 0.00 178.15 177.82 1rpw n LYS 71 N -5.01 0.00 -4.00 2.37 5.02 -1.20 -4.19 118.16 111.16 1rpw n LYS 71 Ca -0.06 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 1rpw n LYS 71 Cb 0.07 -1.32 -0.15 0.00 -0.02 0.00 0.00 35.03 33.60 1rpw n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rpw s ALA 72 N -1.87 2.26 0.00 7.82 0.00 -1.08 -5.04 121.76 123.85 1rpw s ALA 72 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1rpw s ALA 72 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1rpw s ALA 72 CO 0.00 -1.23 0.62 0.36 0.00 0.00 0.00 175.76 175.52 1rpw n LYS 73 N 4.55 0.00 -1.15 0.00 2.85 -1.26 -4.66 118.16 118.49 1rpw n LYS 73 Ca -0.12 0.42 -0.30 0.00 -1.05 0.00 0.00 58.31 57.26 1rpw n LYS 73 Cb 0.43 -1.26 0.14 0.00 -0.65 0.00 0.00 35.03 33.69 1rpw n LYS 73 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1rpw s THR 74 N -2.08 2.70 0.07 0.58 -4.23 -1.26 -4.91 115.64 106.51 1rpw s THR 74 Ca 0.00 0.23 0.08 0.00 -1.18 0.00 0.00 61.69 60.82 1rpw s THR 74 Cb 0.00 -2.66 -0.16 0.00 1.34 0.00 0.00 72.50 71.02 1rpw s THR 74 CO 0.00 -0.30 1.30 0.78 -0.54 0.00 0.00 174.62 175.87 1rpw h ASN 75 N -1.55 0.00 -0.97 3.99 4.21 -1.91 -2.74 115.58 116.61 1rpw h ASN 75 Ca -0.49 0.00 0.28 0.00 1.21 0.00 0.00 56.30 57.30 1rpw h ASN 75 Cb 1.28 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.44 1rpw h ASN 75 CO 0.53 0.91 0.69 -0.09 -1.29 0.00 0.00 177.43 178.19 1rpw h ARG 76 N 0.00 0.03 0.17 0.81 1.12 -1.92 0.18 114.38 114.77 1rpw h ARG 76 Ca -0.01 -0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.51 1rpw h ARG 76 Cb 1.71 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.67 1rpw h ARG 76 CO 0.12 0.02 -1.74 0.93 -3.11 0.00 0.00 179.97 176.19 1rpw h GLU 77 N 0.03 0.36 -0.81 0.20 5.08 -1.89 -3.12 114.58 114.42 1rpw h GLU 77 Ca 0.47 -0.62 0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1rpw h GLU 77 Cb 1.82 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 31.24 1rpw h GLU 77 CO -0.02 1.29 0.53 0.87 -1.00 0.00 0.00 179.01 180.68 1rpw h LYS 78 N 0.04 0.70 0.02 2.33 1.57 -0.46 0.27 116.57 121.05 1rpw h LYS 78 Ca -0.35 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1rpw h LYS 78 Cb 2.04 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.20 1rpw h LYS 78 CO 0.15 0.46 -0.01 0.35 -0.57 0.00 0.00 179.45 179.83 1rpw h PHE 79 N 0.72 -0.03 -0.91 -1.35 3.57 -1.04 0.23 116.94 118.13 1rpw h PHE 79 Ca 0.38 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 62.04 1rpw h PHE 79 Cb 0.50 0.01 -0.16 0.00 2.79 0.00 0.00 35.95 39.09 1rpw h PHE 79 CO -0.00 -0.02 -0.30 0.66 -2.23 0.00 0.00 178.31 176.42 1rpw n TYR 80 N -2.08 0.16 -0.17 0.41 4.01 -0.94 -0.60 117.16 117.95 1rpw n TYR 80 Ca -0.00 1.12 -0.09 0.00 -0.16 0.00 0.00 57.90 58.77 1rpw n TYR 80 Cb 0.01 -0.92 0.00 0.00 -0.31 0.00 0.00 39.34 38.12 1rpw n TYR 80 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1rpw h LEU 81 N 0.00 0.73 0.03 7.72 5.85 -0.44 -1.85 115.31 127.36 1rpw h LEU 81 Ca 0.37 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1rpw h LEU 81 Cb 0.60 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1rpw h LEU 81 CO -0.92 0.78 -0.14 0.22 -0.34 0.00 0.00 178.44 178.03 1rpw h TYR 82 N 0.65 -0.37 -0.44 1.25 3.20 0.19 0.80 116.97 122.25 1rpw h TYR 82 Ca 0.15 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.09 1rpw h TYR 82 Cb 0.33 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 1rpw h TYR 82 CO 0.02 -0.21 0.13 -0.91 -1.64 0.00 0.00 178.16 175.55 1rpw h ASN 83 N -0.26 0.11 -0.09 -2.11 -0.26 -1.25 -1.99 115.58 109.73 1rpw h ASN 83 Ca 0.04 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1rpw h ASN 83 Cb 0.30 0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1rpw h ASN 83 CO -0.12 0.09 0.06 -0.33 -1.06 0.00 0.00 177.43 176.07 1rpw h GLU 84 N 0.29 0.12 0.00 0.81 5.08 -0.94 -1.85 114.58 118.08 1rpw h GLU 84 Ca 0.21 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1rpw h GLU 84 Cb 0.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1rpw h GLU 84 CO -0.24 0.11 0.02 -0.07 -1.00 0.00 0.00 179.01 177.84 1rpw h LEU 85 N 0.10 0.00 -0.50 1.33 3.38 -0.44 -1.68 115.31 117.50 1rpw h LEU 85 Ca 0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1rpw h LEU 85 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1rpw h LEU 85 CO -0.01 0.00 -0.50 0.28 0.09 0.00 0.00 178.44 178.30 1rpw h SER 86 N 0.00 0.72 0.91 -0.43 0.02 -0.59 -1.14 113.55 113.04 1rpw h SER 86 Ca 0.00 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1rpw h SER 86 Cb 0.04 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1rpw h SER 86 CO 0.00 1.09 0.00 -0.07 -1.14 0.00 0.00 176.83 176.71 1rpw h LEU 87 N 0.51 0.00 -0.07 5.07 3.38 -1.33 -3.31 115.31 119.57 1rpw h LEU 87 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rpw h LEU 87 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1rpw h LEU 87 CO 0.10 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.98 1rpw n THR 88 N -2.58 0.00 -2.13 0.22 -2.24 -1.13 -5.05 114.28 101.37 1rpw n THR 88 Ca 0.02 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.94 1rpw n THR 88 Cb 0.28 1.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.52 1rpw n THR 88 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1rpw s THR 89 N -0.92 2.85 -1.02 4.28 -1.32 -0.44 -4.92 115.64 114.14 1rpw s THR 89 Ca 0.00 0.57 0.26 0.00 -1.21 0.00 0.00 61.69 61.31 1rpw s THR 89 Cb 0.00 -3.25 0.10 0.00 -1.51 0.00 0.00 72.50 67.84 1rpw s THR 89 CO 0.00 -0.08 1.60 -1.84 -2.21 0.00 0.00 174.62 172.10 1rpw n GLU 90 N -1.16 0.02 -3.91 7.08 0.28 -1.26 -4.86 120.64 116.83 1rpw n GLU 90 Ca 0.11 -0.01 -0.26 0.00 -0.16 0.00 0.00 57.16 56.84 1rpw n GLU 90 Cb 0.49 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.83 1rpw n GLU 90 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1rpw s TYR 91 N -2.98 3.49 0.00 -1.84 1.51 -1.26 -4.78 117.35 111.48 1rpw s TYR 91 Ca 0.13 0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.34 1rpw s TYR 91 Cb 0.18 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1rpw s TYR 91 CO 0.63 0.50 0.00 0.98 -1.11 0.00 0.00 175.55 176.55 1rpw n TYR 92 N -0.56 0.00 -0.24 2.71 -0.00 -1.26 -4.25 117.16 113.56 1rpw n TYR 92 Ca -0.07 0.00 0.31 0.00 -0.00 0.00 0.00 57.90 58.14 1rpw n TYR 92 Cb 0.54 0.00 0.55 0.00 -0.00 0.00 0.00 39.34 40.43 1rpw n TYR 92 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 1rpw h TYR 93 N 0.00 0.00 0.00 2.98 0.05 -1.91 0.43 116.97 118.52 1rpw h TYR 93 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1rpw h TYR 93 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1rpw h TYR 93 CO 0.00 0.00 0.00 -2.30 -1.05 0.00 0.00 178.16 174.81 1rpw n PRO 94 N -3.45 0.21 -0.25 4.88 -0.02 -1.26 -2.81 135.00 132.29 1rpw n PRO 94 Ca 0.24 0.26 0.11 0.00 -2.02 0.00 0.00 63.50 62.09 1rpw n PRO 94 Cb 1.45 -1.79 0.27 0.00 -0.02 0.00 0.00 33.50 33.41 1rpw n PRO 94 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rpw n LEU 95 N -2.17 3.31 -0.08 2.45 4.77 0.15 -4.53 117.00 120.90 1rpw n LEU 95 Ca 0.05 -1.54 -0.06 0.00 -0.03 0.00 0.00 56.01 54.42 1rpw n LEU 95 Cb 0.35 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1rpw n LEU 95 CO 0.26 0.77 0.78 -0.61 -1.33 0.00 0.00 177.39 177.26 1rpw h GLN 96 N 3.94 -0.05 -0.88 3.23 5.75 -1.60 0.21 115.11 125.71 1rpw h GLN 96 Ca 0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1rpw h GLN 96 Cb 0.88 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.38 1rpw h GLN 96 CO 0.00 -0.03 0.55 -0.97 -2.65 0.00 0.00 178.83 175.73 1rpw h ASN 97 N -0.05 0.87 -0.18 -0.69 -0.73 -1.84 0.13 115.58 113.08 1rpw h ASN 97 Ca 0.16 0.01 -0.16 0.00 1.87 0.00 0.00 56.30 58.19 1rpw h ASN 97 Cb 0.29 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 1rpw h ASN 97 CO -0.36 0.56 -0.45 0.00 -0.37 0.00 0.00 177.43 176.81 1rpw h ALA 98 N 1.41 0.66 -0.78 1.57 0.00 -1.57 -2.96 119.26 117.59 1rpw h ALA 98 Ca 0.38 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1rpw h ALA 98 Cb 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1rpw h ALA 98 CO -0.17 0.67 0.43 0.82 0.00 0.00 0.00 179.25 181.01 1rpw h ILE 99 N 0.60 1.23 0.15 0.00 2.04 0.53 -0.38 117.51 121.68 1rpw h ILE 99 Ca 0.04 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1rpw h ILE 99 Cb 1.01 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1rpw h ILE 99 CO 0.10 0.25 -0.30 0.40 0.00 0.00 0.00 178.15 178.60 1rpw h ILE 100 N 1.08 0.00 -0.72 -0.67 1.08 -0.68 -0.55 117.51 117.05 1rpw h ILE 100 Ca 0.28 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.89 1rpw h ILE 100 Cb 0.02 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.67 1rpw h ILE 100 CO -0.05 0.00 0.20 -0.33 -0.69 0.00 0.00 178.15 177.29 1rpw h GLU 101 N -0.49 0.30 -0.45 2.37 5.08 -1.35 -0.81 114.58 119.23 1rpw h GLU 101 Ca -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1rpw h GLU 101 Cb 0.46 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1rpw h GLU 101 CO -0.12 0.20 0.15 0.35 -1.00 0.00 0.00 179.01 178.59 1rpw h PHE 102 N 0.31 0.67 -0.04 4.33 3.04 -0.74 -2.79 116.94 121.71 1rpw h PHE 102 Ca 0.40 -0.04 -0.14 0.00 3.98 0.00 0.00 57.97 62.18 1rpw h PHE 102 Cb 0.65 -0.20 0.01 0.00 2.56 0.00 0.00 35.95 38.97 1rpw h PHE 102 CO -0.23 0.55 -0.51 -0.92 -2.02 0.00 0.00 178.31 175.17 1rpw h TYR 103 N 0.65 0.58 0.00 0.41 5.03 0.33 -3.01 116.97 120.96 1rpw h TYR 103 Ca 0.15 -0.29 -0.00 0.00 2.58 0.00 0.00 58.73 61.17 1rpw h TYR 103 Cb 0.19 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 1rpw h TYR 103 CO 0.01 1.08 -0.00 1.79 -1.32 0.00 0.00 178.16 179.72 1rpw h THR 104 N -0.08 0.43 -0.12 1.81 1.35 -1.34 -0.69 112.91 114.27 1rpw h THR 104 Ca -0.05 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1rpw h THR 104 Cb 1.20 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1rpw h THR 104 CO 0.10 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 176.58 1rpw n GLU 105 N -3.70 1.78 0.00 4.72 2.13 -1.06 -4.50 120.64 120.01 1rpw n GLU 105 Ca -0.03 -1.17 0.00 0.00 0.66 0.00 0.00 57.16 56.62 1rpw n GLU 105 Cb 0.08 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.36 1rpw n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1rpw n TYR 106 N 0.39 0.00 0.10 4.31 4.01 -0.43 -4.80 117.16 120.74 1rpw n TYR 106 Ca 0.17 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 58.11 1rpw n TYR 106 Cb 0.37 0.00 0.70 0.00 -0.31 0.00 0.00 39.34 40.10 1rpw n TYR 106 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 1rpw h TYR 107 N 0.00 0.00 0.00 -0.72 -0.00 -1.41 -1.67 116.97 113.17 1rpw h TYR 107 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1rpw h TYR 107 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1rpw h TYR 107 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 178.16 179.33 1rpw n LYS 108 N -3.48 0.00 -1.51 0.10 3.00 -1.26 -4.33 118.16 110.67 1rpw n LYS 108 Ca 0.08 0.01 -0.36 0.00 -0.00 0.00 0.00 58.31 58.03 1rpw n LYS 108 Cb 0.71 -0.85 -0.13 0.00 0.00 0.00 0.00 35.03 34.77 1rpw n LYS 108 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1rpw n THR 109 N -0.36 -0.02 0.22 3.15 -2.24 -0.63 -4.75 114.28 109.66 1rpw n THR 109 Ca 0.00 -0.28 0.16 0.00 -2.27 0.00 0.00 64.05 61.66 1rpw n THR 109 Cb 0.00 -1.06 0.66 0.00 -2.10 0.00 0.00 70.33 67.82 1rpw n THR 109 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1rpw h ASN 110 N 13.75 0.00 0.27 3.42 -1.24 -1.78 -3.06 115.58 126.94 1rpw h ASN 110 Ca -0.08 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.91 1rpw h ASN 110 Cb 1.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1rpw h ASN 110 CO 1.35 0.00 -0.13 -1.28 -1.29 0.00 0.00 177.43 176.08 1rpw h SER 111 N 0.00 -0.30 -0.94 1.15 0.87 -1.90 -3.16 113.55 109.27 1rpw h SER 111 Ca 0.09 0.01 0.11 0.00 -1.23 0.00 0.00 61.79 60.77 1rpw h SER 111 Cb 1.14 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 63.11 1rpw h SER 111 CO -0.00 -0.18 0.60 0.40 -0.53 0.00 0.00 176.83 177.12 1rpw h ILE 112 N -0.42 0.95 -0.63 2.23 1.08 -1.84 -0.53 117.51 118.34 1rpw h ILE 112 Ca -0.04 -0.32 0.18 0.00 -0.39 0.00 0.00 64.86 64.30 1rpw h ILE 112 Cb 0.27 -0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 33.94 1rpw h ILE 112 CO 0.06 0.17 0.49 -1.13 -0.69 0.00 0.00 178.15 177.04 1rpw h ASN 113 N 0.92 0.00 0.40 1.72 -1.24 -1.59 -0.72 115.58 115.09 1rpw h ASN 113 Ca 0.45 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.44 1rpw h ASN 113 Cb 0.46 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1rpw h ASN 113 CO -0.21 0.00 -0.19 -0.33 -1.29 0.00 0.00 177.43 175.41 1rpw h GLU 114 N 0.00 -0.52 -0.69 6.67 5.08 -1.05 -1.05 114.58 123.02 1rpw h GLU 114 Ca 0.30 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.72 1rpw h GLU 114 Cb 1.27 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 1rpw h GLU 114 CO -0.00 -0.26 0.45 0.87 -1.00 0.00 0.00 179.01 179.07 1rpw h LYS 115 N -0.71 0.83 0.00 2.33 1.57 -1.28 0.18 116.57 119.49 1rpw h LYS 115 Ca -0.06 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1rpw h LYS 115 Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1rpw h LYS 115 CO 0.09 0.55 -0.04 0.52 -0.57 0.00 0.00 179.45 180.00 1rpw h MET 116 N 0.86 -0.06 -0.30 3.15 2.86 -0.96 -0.54 114.93 119.93 1rpw h MET 116 Ca 0.27 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.75 1rpw h MET 116 Cb 0.01 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1rpw h MET 116 CO -0.07 -0.04 -0.45 -0.91 1.06 0.00 0.00 176.91 176.50 1rpw h ASN 117 N -0.07 0.91 -0.07 1.22 4.21 -0.70 -1.93 115.58 119.17 1rpw h ASN 117 Ca 0.02 -0.51 0.02 0.00 1.21 0.00 0.00 56.30 57.03 1rpw h ASN 117 Cb 0.08 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 36.99 1rpw h ASN 117 CO -0.04 1.25 -0.31 0.50 -1.29 0.00 0.00 177.43 177.54 1rpw h LYS 118 N 0.61 -0.33 -0.36 0.81 3.64 -0.46 -2.09 116.57 118.39 1rpw h LYS 118 Ca 0.03 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1rpw h LYS 118 Cb 1.05 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.87 1rpw h LYS 118 CO 0.10 -0.22 -0.50 -0.07 -2.27 0.00 0.00 179.45 176.50 1rpw h LEU 119 N -0.34 -1.67 -0.98 5.20 3.38 -1.09 -2.14 115.31 117.66 1rpw h LEU 119 Ca 0.02 0.22 0.33 0.00 0.09 0.00 0.00 57.88 58.53 1rpw h LEU 119 Cb 0.39 0.68 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1rpw h LEU 119 CO -0.24 -0.36 0.47 -0.08 0.09 0.00 0.00 178.44 178.32 1rpw h GLU 120 N -0.36 0.21 -0.55 1.13 4.81 -0.91 0.54 114.58 119.44 1rpw h GLU 120 Ca 0.06 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.39 1rpw h GLU 120 Cb 0.54 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1rpw h GLU 120 CO -0.53 0.14 0.38 -0.91 -0.73 0.00 0.00 179.01 177.35 1rpw h ASN 121 N 0.21 0.24 0.54 1.04 2.35 -0.71 -0.55 115.58 118.70 1rpw h ASN 121 Ca 0.72 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.45 1rpw h ASN 121 Cb 1.68 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 40.02 1rpw h ASN 121 CO -0.67 0.14 -0.26 0.11 -1.65 0.00 0.00 177.43 175.10 1rpw h LYS 122 N 0.26 -0.70 -0.81 0.81 1.79 0.01 0.12 116.57 118.05 1rpw h LYS 122 Ca 0.26 0.05 0.22 0.00 -2.18 0.00 0.00 60.65 59.00 1rpw h LYS 122 Cb 0.67 0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 31.44 1rpw h LYS 122 CO -0.05 -0.39 0.57 -0.92 -1.08 0.00 0.00 179.45 177.57 1rpw h TYR 123 N -0.99 0.12 0.00 -1.35 3.20 -1.18 0.94 116.97 117.71 1rpw h TYR 123 Ca -0.07 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.64 1rpw h TYR 123 Cb 0.63 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1rpw h TYR 123 CO 0.00 0.03 -1.42 -0.89 -1.64 0.00 0.00 178.16 174.25 1rpw n ILE 124 N -4.35 1.13 -0.28 1.81 2.08 -0.32 -4.34 119.36 115.09 1rpw n ILE 124 Ca 0.17 -0.68 -0.06 0.00 0.56 0.00 0.00 62.75 62.73 1rpw n ILE 124 Cb 0.82 -0.69 -0.02 0.00 -0.75 0.00 0.00 39.64 39.00 1rpw n ILE 124 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1rpw h ASP 125 N 0.00 -1.53 -0.95 4.38 -0.00 0.19 -1.40 116.42 117.10 1rpw h ASP 125 Ca -0.16 0.27 0.13 0.00 -0.00 0.00 0.00 57.03 57.27 1rpw h ASP 125 Cb 1.55 0.72 -0.14 0.00 -0.00 0.00 0.00 39.33 41.46 1rpw h ASP 125 CO 0.04 -0.31 -0.43 0.00 -0.00 0.00 0.00 179.24 178.55 1rpw n ALA 126 N -3.25 -0.26 -0.25 -0.78 0.00 -1.23 0.86 120.51 115.60 1rpw n ALA 126 Ca 0.04 0.91 -0.04 0.00 0.00 0.00 0.00 53.44 54.34 1rpw n ALA 126 Cb 0.35 -0.34 0.11 0.00 0.00 0.00 0.00 19.45 19.57 1rpw n ALA 126 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1rpw h TYR 127 N 0.00 1.12 -0.24 0.00 0.05 -1.55 0.05 116.97 116.40 1rpw h TYR 127 Ca 0.28 -0.08 0.03 0.00 0.05 0.00 0.00 58.73 59.01 1rpw h TYR 127 Cb 0.52 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 1rpw h TYR 127 CO -0.88 0.85 0.05 1.25 -1.05 0.00 0.00 178.16 178.38 1rpw h HIS 128 N 1.08 0.09 0.51 4.88 2.76 0.11 -0.43 115.15 124.15 1rpw h HIS 128 Ca 0.25 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 1rpw h HIS 128 Cb 0.19 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1rpw h HIS 128 CO 0.02 0.03 -0.29 0.28 -1.30 0.00 0.00 177.93 176.67 1rpw h VAL 129 N 0.15 0.00 -0.89 5.26 2.07 0.17 0.13 116.25 123.14 1rpw h VAL 129 Ca 0.11 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.85 1rpw h VAL 129 Cb 0.11 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.72 1rpw h VAL 129 CO -0.14 0.00 -0.02 0.40 0.02 0.00 0.00 177.57 177.83 1rpw h ILE 130 N -0.74 0.16 -0.18 4.57 5.03 -0.90 0.16 117.51 125.61 1rpw h ILE 130 Ca -0.07 -0.02 -0.20 0.00 -0.12 0.00 0.00 64.86 64.45 1rpw h ILE 130 Cb 0.58 0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.48 1rpw h ILE 130 CO 0.09 0.01 -0.69 -0.26 -0.68 0.00 0.00 178.15 176.62 1rpw h PHE 131 N 0.05 0.94 0.36 1.37 0.04 -0.98 -2.04 116.94 116.69 1rpw h PHE 131 Ca 0.50 -0.39 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 1rpw h PHE 131 Cb 0.94 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1rpw h PHE 131 CO -0.50 1.20 -0.20 -0.22 -0.60 0.00 0.00 178.31 177.99 1rpw h LYS 132 N 0.51 -0.50 -1.03 1.51 3.64 0.12 -2.31 116.57 118.52 1rpw h LYS 132 Ca -0.03 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 59.64 1rpw h LYS 132 Cb 1.29 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 33.12 1rpw h LYS 132 CO 0.14 -0.33 0.64 0.93 -2.27 0.00 0.00 179.45 178.56 1rpw h GLU 133 N -0.52 0.47 -0.81 1.90 4.39 -1.37 0.13 114.58 118.76 1rpw h GLU 133 Ca -0.05 -0.03 0.17 0.00 0.34 0.00 0.00 59.36 59.80 1rpw h GLU 133 Cb 0.41 -0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 28.84 1rpw h GLU 133 CO 0.06 0.31 0.31 0.78 -1.16 0.00 0.00 179.01 179.31 1rpw h GLY 134 N 0.48 1.27 0.71 -3.84 0.00 -0.83 0.23 103.07 101.08 1rpw h GLY 134 Ca 0.61 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.75 1rpw h GLY 134 CO -0.36 -0.18 -0.13 3.43 0.00 0.00 0.00 176.54 179.30 1rpw h ASN 135 N 0.40 0.33 -0.28 0.19 2.35 -0.31 0.38 115.58 118.63 1rpw h ASN 135 Ca 0.47 -0.49 0.08 0.00 -0.55 0.00 0.00 56.30 55.81 1rpw h ASN 135 Cb 0.80 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1rpw h ASN 135 CO -0.47 0.75 0.25 -0.07 -1.65 0.00 0.00 177.43 176.23 1rpw h LEU 136 N -0.09 0.00 -3.53 1.61 3.38 -0.67 0.82 115.31 116.83 1rpw h LEU 136 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1rpw h LEU 136 Cb 0.66 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1rpw h LEU 136 CO 0.03 0.00 0.05 0.59 0.09 0.00 0.00 178.44 179.20 1rpw n ASN 137 N -4.05 5.13 -4.45 -0.43 4.13 0.64 -4.95 115.26 111.28 1rpw n ASN 137 Ca 0.04 -3.03 -0.41 0.00 1.68 0.00 0.00 54.58 52.86 1rpw n ASN 137 Cb 0.40 -0.67 -0.06 0.00 -1.54 0.00 0.00 39.78 37.91 1rpw n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rpw n GLY 138 N 0.19 -0.41 0.09 7.41 0.00 0.29 -4.80 105.19 107.96 1rpw n GLY 138 Ca 0.29 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.52 1rpw n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rpw h GLU 139 N -1.07 0.00 -1.22 1.61 5.08 -0.46 -3.48 114.58 115.04 1rpw h GLU 139 Ca -0.60 0.00 0.33 0.00 -1.00 0.00 0.00 59.36 58.09 1rpw h GLU 139 Cb 1.39 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.47 1rpw h GLU 139 CO 0.86 0.00 0.91 1.67 -1.00 0.00 0.00 179.01 181.45 1rpw s TRP 140 N -3.15 -0.04 -0.32 4.33 -2.14 -1.24 -5.00 118.94 111.38 1rpw s TRP 140 Ca 0.08 0.00 0.03 0.00 2.66 0.00 0.00 56.10 58.87 1rpw s TRP 140 Cb 0.12 0.52 0.10 0.00 -3.10 0.00 0.00 33.47 31.11 1rpw s TRP 140 CO 0.67 -0.12 0.05 0.45 -2.66 0.00 0.00 176.95 175.34 1rpw s SER 141 N -2.54 4.55 -0.34 -2.66 0.15 -1.26 -3.99 113.70 107.61 1rpw s SER 141 Ca 0.13 -1.96 -0.11 0.00 0.70 0.00 0.00 55.95 54.70 1rpw s SER 141 Cb 0.03 -1.43 -0.00 0.00 -1.71 0.00 0.00 66.02 62.90 1rpw s SER 141 CO -0.04 -0.37 0.20 -0.63 1.20 0.00 0.00 173.24 173.59 1rpw s ILE 142 N 1.10 4.86 0.00 6.45 1.01 -1.26 -4.84 121.20 128.52 1rpw s ILE 142 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1rpw s ILE 142 Cb -0.19 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1rpw s ILE 142 CO -0.12 -0.02 0.79 0.59 0.00 0.00 0.00 174.94 176.18 1rpw n ASN 143 N 5.04 0.00 -4.45 3.58 5.03 -1.26 -4.39 115.26 118.80 1rpw n ASN 143 Ca -0.13 0.79 -0.42 0.00 0.87 0.00 0.00 54.58 55.70 1rpw n ASN 143 Cb 0.49 -0.29 -0.10 0.00 -1.02 0.00 0.00 39.78 38.85 1rpw n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1rpw s ASP 144 N -2.22 5.98 -0.09 6.41 3.68 -1.26 -4.97 116.67 124.20 1rpw s ASP 144 Ca 0.00 -0.83 -0.09 0.00 2.13 0.00 0.00 52.55 53.76 1rpw s ASP 144 Cb 0.00 -2.12 -0.07 0.00 -1.45 0.00 0.00 42.92 39.29 1rpw s ASP 144 CO 0.00 -0.39 0.30 0.58 0.13 0.00 0.00 175.17 175.79 1rpw h VAL 145 N 5.67 0.33 -1.04 1.11 2.07 -2.00 -2.99 116.25 119.40 1rpw h VAL 145 Ca -0.28 -1.13 0.30 0.00 0.82 0.00 0.00 66.70 66.41 1rpw h VAL 145 Cb 1.12 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1rpw h VAL 145 CO 0.69 0.11 0.84 0.78 0.02 0.00 0.00 177.57 180.01 1rpw h ASN 146 N -1.01 0.00 0.33 0.57 4.21 -1.95 1.09 115.58 118.82 1rpw h ASN 146 Ca -0.01 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.48 1rpw h ASN 146 Cb 0.26 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1rpw h ASN 146 CO 0.02 0.00 -0.16 0.00 -1.29 0.00 0.00 177.43 176.00 1rpw h ALA 147 N 1.29 -0.73 -0.72 -0.83 0.00 -1.99 -1.77 119.26 114.51 1rpw h ALA 147 Ca 0.49 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.39 1rpw h ALA 147 Cb 2.17 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 20.07 1rpw h ALA 147 CO -0.01 -0.70 0.39 0.28 0.00 0.00 0.00 179.25 179.21 1rpw h VAL 148 N -0.65 0.91 -0.99 0.00 2.07 -0.80 0.24 116.25 117.03 1rpw h VAL 148 Ca -0.05 -0.23 0.15 0.00 0.82 0.00 0.00 66.70 67.39 1rpw h VAL 148 Cb 0.34 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.19 1rpw h VAL 148 CO 0.07 0.12 0.62 0.28 0.02 0.00 0.00 177.57 178.69 1rpw h SER 149 N 0.68 0.83 0.02 0.57 0.02 0.11 0.36 113.55 116.14 1rpw h SER 149 Ca 0.34 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.28 1rpw h SER 149 Cb 0.30 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.74 1rpw h SER 149 CO -0.23 0.40 -0.31 0.50 -1.14 0.00 0.00 176.83 176.05 1rpw h LYS 150 N 0.87 0.17 -0.32 3.45 3.64 -0.07 -2.23 116.57 122.06 1rpw h LYS 150 Ca 0.51 -0.21 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 1rpw h LYS 150 Cb 0.66 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.47 1rpw h LYS 150 CO -0.29 1.00 -0.27 0.82 -2.27 0.00 0.00 179.45 178.44 1rpw h ILE 151 N -0.57 0.32 0.00 2.00 1.08 -0.11 -1.15 117.51 119.08 1rpw h ILE 151 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1rpw h ILE 151 Cb 1.13 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1rpw h ILE 151 CO 0.06 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.52 1rpw n ALA 152 N -2.90 -0.18 -0.39 1.87 0.00 0.12 -0.58 120.51 118.45 1rpw n ALA 152 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1rpw n ALA 152 Cb 0.31 0.20 0.60 0.00 0.00 0.00 0.00 19.45 20.56 1rpw n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rpw h ALA 153 N -1.68 2.55 0.14 0.00 0.00 -1.30 0.61 119.26 119.58 1rpw h ALA 153 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 1rpw h ALA 153 Cb 0.00 0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.93 1rpw h ALA 153 CO 0.00 -1.07 -1.27 -0.91 0.00 0.00 0.00 179.25 176.00 1rpw h ASN 154 N 0.21 0.70 -0.46 0.00 -0.26 -0.87 -1.85 115.58 113.06 1rpw h ASN 154 Ca 0.71 -0.69 -0.05 0.00 -0.56 0.00 0.00 56.30 55.71 1rpw h ASN 154 Cb 2.10 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 39.12 1rpw h ASN 154 CO -0.34 1.52 0.08 0.00 -1.06 0.00 0.00 177.43 177.64 1rpw h ALA 155 N 0.39 0.60 -0.06 -0.83 0.00 0.13 -0.29 119.26 119.20 1rpw h ALA 155 Ca -0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1rpw h ALA 155 Cb 1.96 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1rpw h ALA 155 CO 0.23 0.32 -0.00 0.28 0.00 0.00 0.00 179.25 180.08 1rpw h VAL 156 N 0.62 1.25 -0.72 0.00 2.07 -1.14 -1.08 116.25 117.25 1rpw h VAL 156 Ca 0.14 -0.77 0.13 0.00 0.82 0.00 0.00 66.70 67.01 1rpw h VAL 156 Cb 0.37 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1rpw h VAL 156 CO 0.01 0.21 0.48 -1.13 0.02 0.00 0.00 177.57 177.16 1rpw h ASN 157 N -0.19 0.43 0.47 0.57 -0.73 -1.27 0.52 115.58 115.39 1rpw h ASN 157 Ca 0.02 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.18 1rpw h ASN 157 Cb 0.34 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.86 1rpw h ASN 157 CO 0.00 0.24 -0.23 1.23 -0.37 0.00 0.00 177.43 178.31 1rpw h GLY 158 N 0.47 -0.66 1.26 1.57 0.00 -0.48 0.08 103.07 105.31 1rpw h GLY 158 Ca 0.35 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.92 1rpw h GLY 158 CO -0.11 -0.24 0.43 -2.22 0.00 0.00 0.00 176.54 174.39 1rpw h ILE 159 N -0.72 1.20 -0.29 2.60 2.04 0.39 -1.65 117.51 121.09 1rpw h ILE 159 Ca -0.06 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1rpw h ILE 159 Cb 0.53 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1rpw h ILE 159 CO 0.11 0.22 0.08 0.58 0.00 0.00 0.00 178.15 179.13 1rpw h VAL 160 N 1.00 1.21 -0.28 1.67 2.07 0.08 -3.28 116.25 118.71 1rpw h VAL 160 Ca 0.26 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1rpw h VAL 160 Cb -0.03 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1rpw h VAL 160 CO -0.05 0.23 0.00 0.35 0.02 0.00 0.00 177.57 178.12 1rpw n THR 161 N -4.68 0.36 -1.70 2.57 -2.24 0.00 -4.15 114.28 104.44 1rpw n THR 161 Ca -0.02 -0.57 -0.04 0.00 -2.27 0.00 0.00 64.05 61.15 1rpw n THR 161 Cb 0.18 0.74 0.15 0.00 -2.10 0.00 0.00 70.33 69.30 1rpw n THR 161 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1rpw n PHE 162 N 0.99 0.92 -2.05 4.78 3.01 -0.65 -4.58 117.46 119.88 1rpw n PHE 162 Ca 0.18 -1.73 -0.04 0.00 1.01 0.00 0.00 57.45 56.86 1rpw n PHE 162 Cb 0.49 -0.32 -0.05 0.00 -0.01 0.00 0.00 39.48 39.59 1rpw n PHE 162 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1rpw n THR 163 N -1.00 0.00 0.04 4.37 -2.24 -1.25 -4.96 114.28 109.24 1rpw n THR 163 Ca 0.28 -0.11 -0.15 0.00 -2.27 0.00 0.00 64.05 61.80 1rpw n THR 163 Cb 0.80 0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 69.40 1rpw n THR 163 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1rpw h HIS 164 N 0.11 -1.56 0.00 4.78 3.86 -1.81 -3.23 115.15 117.30 1rpw h HIS 164 Ca -0.41 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1rpw h HIS 164 Cb 1.39 0.68 0.00 0.00 1.06 0.00 0.00 27.41 30.54 1rpw h HIS 164 CO -0.16 -0.56 0.00 -0.85 0.86 0.00 0.00 177.93 177.22 1rpw n GLU 165 N -5.39 0.00 -1.75 2.45 0.28 -1.26 -4.70 120.64 110.27 1rpw n GLU 165 Ca -0.07 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.75 1rpw n GLU 165 Cb 0.39 0.00 0.11 0.00 1.43 0.00 0.00 31.44 33.36 1rpw n GLU 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1rpw n GLN 166 N -1.19 -0.29 -1.56 3.44 10.64 -1.22 -5.01 117.38 122.19 1rpw n GLN 166 Ca 0.00 -1.75 -0.57 0.00 -1.83 0.00 0.00 57.00 52.85 1rpw n GLN 166 Cb 0.00 -0.66 -0.08 0.00 -0.86 0.00 0.00 30.24 28.64 1rpw n GLN 166 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1rpw n ASN 167 N -3.19 1.95 0.22 2.61 4.05 -1.26 -4.85 115.26 114.78 1rpw n ASN 167 Ca 0.12 0.83 0.11 0.00 0.45 0.00 0.00 54.58 56.08 1rpw n ASN 167 Cb 0.42 -1.11 0.56 0.00 1.23 0.00 0.00 39.78 40.88 1rpw n ASN 167 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 1rpw h ILE 168 N 6.04 0.00 0.07 -1.44 -0.00 -1.94 0.25 117.51 120.50 1rpw h ILE 168 Ca -0.35 0.00 -0.32 0.00 -0.00 0.00 0.00 64.86 64.20 1rpw h ILE 168 Cb 1.34 0.46 -0.03 0.00 -0.00 0.00 0.00 36.82 38.59 1rpw h ILE 168 CO 1.00 0.00 -1.73 0.78 -0.00 0.00 0.00 178.15 178.21 1rpw h ASN 169 N 0.00 0.24 -0.26 2.19 2.35 -1.99 -2.90 115.58 115.22 1rpw h ASN 169 Ca 0.00 -0.46 -0.06 0.00 -0.55 0.00 0.00 56.30 55.23 1rpw h ASN 169 Cb 0.47 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1rpw h ASN 169 CO 0.00 1.40 -0.08 -0.08 -1.65 0.00 0.00 177.43 177.02 1rpw h GLU 170 N 0.04 0.51 -0.36 0.81 4.22 -0.98 -1.75 114.58 117.08 1rpw h GLU 170 Ca -0.31 -0.21 0.08 0.00 0.08 0.00 0.00 59.36 59.00 1rpw h GLU 170 Cb 2.01 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 31.16 1rpw h GLU 170 CO 0.11 0.74 -0.24 0.00 -2.18 0.00 0.00 179.01 177.44 1rpw h ARG 171 N 0.25 -0.18 0.00 1.92 3.08 -1.09 0.29 114.38 118.65 1rpw h ARG 171 Ca 0.06 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1rpw h ARG 171 Cb 0.57 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1rpw h ARG 171 CO 0.03 -0.12 -0.09 0.82 -1.07 0.00 0.00 179.97 179.54 1rpw h ILE 172 N -0.19 0.74 -0.01 2.04 2.04 -1.37 -0.81 117.51 119.95 1rpw h ILE 172 Ca 0.18 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1rpw h ILE 172 Cb 0.46 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1rpw h ILE 172 CO -0.47 0.09 -0.15 0.50 0.00 0.00 0.00 178.15 178.12 1rpw h LYS 173 N 0.00 0.12 -0.78 2.37 3.64 0.38 -2.69 116.57 119.61 1rpw h LYS 173 Ca -0.00 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1rpw h LYS 173 Cb 0.21 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1rpw h LYS 173 CO 0.01 0.83 0.43 -0.07 -2.27 0.00 0.00 179.45 178.38 1rpw h LEU 174 N -0.54 0.97 -1.45 5.20 3.38 -0.63 -2.04 115.31 120.19 1rpw h LEU 174 Ca -0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1rpw h LEU 174 Cb 0.88 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1rpw h LEU 174 CO 0.03 0.78 0.19 -0.03 0.09 0.00 0.00 178.44 179.50 1rpw h MET 175 N 1.09 0.56 0.06 1.13 4.05 -1.15 -1.81 114.93 118.85 1rpw h MET 175 Ca 0.28 -0.06 -0.25 0.00 -0.28 0.00 0.00 59.70 59.38 1rpw h MET 175 Cb 0.03 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 1rpw h MET 175 CO -0.04 0.44 -1.23 -0.91 0.23 0.00 0.00 176.91 175.40 1rpw h ASN 176 N 0.56 0.18 -0.85 1.39 -0.26 -1.04 -0.56 115.58 115.00 1rpw h ASN 176 Ca 0.14 -0.22 0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1rpw h ASN 176 Cb 0.07 -0.06 -0.05 0.00 -1.06 0.00 0.00 38.32 37.22 1rpw h ASN 176 CO -0.02 1.17 0.55 0.50 -1.06 0.00 0.00 177.43 178.58 1rpw h LYS 177 N 0.03 1.04 0.53 0.81 3.11 -1.04 0.23 116.57 121.29 1rpw h LYS 177 Ca -0.11 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.64 1rpw h LYS 177 Cb 1.89 -0.24 0.01 0.00 -1.00 0.00 0.00 32.23 32.89 1rpw h LYS 177 CO 0.15 0.69 -0.26 0.35 -2.81 0.00 0.00 179.45 177.57 1rpw h PHE 178 N 1.07 -0.66 -0.99 1.91 3.57 -1.26 0.24 116.94 120.83 1rpw h PHE 178 Ca 0.34 -0.02 0.36 0.00 3.53 0.00 0.00 57.97 62.18 1rpw h PHE 178 Cb 0.00 0.22 -0.17 0.00 2.79 0.00 0.00 35.95 38.79 1rpw h PHE 178 CO -0.02 -0.41 0.43 0.77 -2.23 0.00 0.00 178.31 176.85 1rpw h SER 179 N -0.75 0.20 0.29 0.41 0.02 -0.70 0.34 113.55 113.37 1rpw h SER 179 Ca -0.07 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1rpw h SER 179 Cb 0.55 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1rpw h SER 179 CO 0.12 -0.33 -0.14 -0.61 -1.14 0.00 0.00 176.83 174.73 1rpw h GLN 180 N 0.09 -0.38 -0.88 3.45 4.15 -0.30 -1.90 115.11 119.34 1rpw h GLN 180 Ca 0.76 0.03 0.10 0.00 0.77 0.00 0.00 58.65 60.30 1rpw h GLN 180 Cb 1.85 0.09 -0.12 0.00 0.21 0.00 0.00 27.48 29.50 1rpw h GLN 180 CO -0.75 -0.25 -0.54 0.82 -1.93 0.00 0.00 178.83 176.18 1rpw h ILE 181 N -0.64 0.01 -0.21 2.39 2.04 0.91 0.22 117.51 122.23 1rpw h ILE 181 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1rpw h ILE 181 Cb 0.30 0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 36.32 1rpw h ILE 181 CO 0.07 0.00 -0.53 0.15 0.00 0.00 0.00 178.15 177.84 1rpw h PHE 182 N -0.07 -1.58 -0.82 1.37 3.57 -0.47 -1.59 116.94 117.36 1rpw h PHE 182 Ca 0.18 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.84 1rpw h PHE 182 Cb 0.48 0.72 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 1rpw h PHE 182 CO -0.93 -0.51 0.53 -0.07 -2.23 0.00 0.00 178.31 175.10 1rpw h LEU 183 N -0.50 0.71 -1.59 0.59 3.38 -0.35 0.29 115.31 117.84 1rpw h LEU 183 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1rpw h LEU 183 Cb 0.63 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1rpw h LEU 183 CO -0.47 0.43 0.01 -3.20 0.09 0.00 0.00 178.44 175.30 1rpw n ASN 184 N -4.51 2.15 0.00 -0.43 2.85 0.65 -2.65 115.26 113.32 1rpw n ASN 184 Ca 0.13 -2.02 0.00 0.00 -0.11 0.00 0.00 54.58 52.58 1rpw n ASN 184 Cb 0.30 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 40.81 1rpw n ASN 184 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1rpw n GLY 185 N 0.27 0.00 0.24 8.20 0.00 0.10 -4.80 105.19 109.19 1rpw n GLY 185 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1rpw n GLY 185 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rpw h LEU 186 N 0.00 0.00 -0.26 0.99 3.38 -1.30 -3.52 115.31 114.60 1rpw h LEU 186 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rpw h LEU 186 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1rpw h LEU 186 CO 0.00 0.18 0.00 -1.20 0.09 0.00 0.00 178.44 177.51