#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkw h LEU 3 N 0.00 0.04 0.27 -4.53 3.38 -1.99 0.30 115.31 112.77 1rkw h LEU 3 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1rkw h LEU 3 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1rkw h LEU 3 CO 0.00 0.02 -0.13 0.50 0.09 0.00 0.00 178.44 178.92 1rkw h LYS 4 N 0.04 -0.34 -0.48 1.13 3.64 -1.99 -1.81 116.57 116.75 1rkw h LYS 4 Ca 0.21 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1rkw h LYS 4 Cb 0.78 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1rkw h LYS 4 CO -0.01 -0.18 0.29 -0.44 -2.27 0.00 0.00 179.45 176.84 1rkw h ASP 5 N -0.43 0.57 -0.62 4.20 3.45 -1.01 -0.69 116.42 121.89 1rkw h ASP 5 Ca -0.04 -0.03 -0.07 0.00 0.43 0.00 0.00 57.03 57.33 1rkw h ASP 5 Cb 0.33 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.93 1rkw h ASP 5 CO 0.06 0.44 0.13 0.11 -1.57 0.00 0.00 179.24 178.41 1rkw h LYS 6 N 0.66 1.03 0.03 3.56 1.57 -0.36 -0.36 116.57 122.70 1rkw h LYS 6 Ca 0.17 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1rkw h LYS 6 Cb -0.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1rkw h LYS 6 CO -0.03 0.93 -0.01 0.82 -0.57 0.00 0.00 179.45 180.59 1rkw h ILE 7 N 0.98 1.26 -0.39 1.86 2.04 -0.64 0.17 117.51 122.80 1rkw h ILE 7 Ca 0.20 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 65.20 1rkw h ILE 7 Cb 0.39 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 1rkw h ILE 7 CO 0.01 0.23 0.08 -0.07 0.00 0.00 0.00 178.15 178.40 1rkw h LEU 8 N -0.44 0.01 -0.32 1.44 3.38 -1.06 0.25 115.31 118.58 1rkw h LEU 8 Ca -0.00 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1rkw h LEU 8 Cb 0.41 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1rkw h LEU 8 CO 0.01 0.04 0.01 1.23 0.09 0.00 0.00 178.44 179.82 1rkw h GLY 9 N 0.20 0.60 1.01 0.83 0.00 -0.99 -0.05 103.07 104.67 1rkw h GLY 9 Ca 0.19 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1rkw h GLY 9 CO -0.24 0.40 -0.02 -2.08 0.00 0.00 0.00 176.54 174.59 1rkw h VAL 10 N 0.36 1.26 -0.50 4.60 2.07 -0.78 -2.70 116.25 120.57 1rkw h VAL 10 Ca 0.09 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1rkw h VAL 10 Cb 0.42 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1rkw h VAL 10 CO 0.01 0.39 0.07 0.00 0.02 0.00 0.00 177.57 178.06 1rkw h ALA 11 N 0.92 0.67 -0.82 1.67 0.00 -0.42 -0.91 119.26 120.37 1rkw h ALA 11 Ca 0.14 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1rkw h ALA 11 Cb 0.54 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1rkw h ALA 11 CO 0.03 0.41 0.44 -0.22 0.00 0.00 0.00 179.25 179.91 1rkw h LYS 12 N 0.71 0.68 -0.26 0.00 3.64 -0.86 0.26 116.57 120.74 1rkw h LYS 12 Ca 0.15 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1rkw h LYS 12 Cb 0.41 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1rkw h LYS 12 CO 0.01 0.45 -0.06 0.93 -2.27 0.00 0.00 179.45 178.51 1rkw h GLU 13 N 0.70 0.51 -0.35 1.90 4.39 -1.20 -0.29 114.58 120.23 1rkw h GLU 13 Ca 0.42 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1rkw h GLU 13 Cb 0.48 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1rkw h GLU 13 CO -0.29 0.72 0.20 -0.07 -1.16 0.00 0.00 179.01 178.40 1rkw h LEU 14 N 0.26 0.43 -0.63 1.33 3.38 -0.34 0.42 115.31 120.16 1rkw h LEU 14 Ca 0.07 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1rkw h LEU 14 Cb 0.53 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1rkw h LEU 14 CO 0.03 0.38 0.36 -0.26 0.09 0.00 0.00 178.44 179.04 1rkw h PHE 15 N 0.44 0.66 -0.04 1.13 0.05 -0.41 0.59 116.94 119.36 1rkw h PHE 15 Ca 0.12 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.94 1rkw h PHE 15 Cb 0.04 -0.20 -0.00 0.00 2.00 0.00 0.00 35.95 37.79 1rkw h PHE 15 CO -0.03 0.33 0.03 0.82 -0.18 0.00 0.00 178.31 179.28 1rkw h ILE 16 N 0.68 1.04 -0.31 -0.55 2.04 -0.15 0.10 117.51 120.37 1rkw h ILE 16 Ca 0.28 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.91 1rkw h ILE 16 Cb 0.14 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1rkw h ILE 16 CO -0.16 0.03 -0.24 0.50 0.00 0.00 0.00 178.15 178.29 1rkw h LYS 17 N 0.02 0.70 0.00 2.37 3.64 0.45 -3.38 116.57 120.37 1rkw h LYS 17 Ca 0.01 -0.34 -0.20 0.00 -1.27 0.00 0.00 60.65 58.85 1rkw h LYS 17 Cb 0.04 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1rkw h LYS 17 CO -0.00 0.95 -2.07 0.09 -2.27 0.00 0.00 179.45 176.15 1rkw n ASN 18 N -4.30 0.71 0.00 4.20 5.03 0.20 -5.08 115.26 116.03 1rkw n ASN 18 Ca -0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.42 1rkw n ASN 18 Cb 0.44 1.27 0.00 0.00 -1.02 0.00 0.00 39.78 40.47 1rkw n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rkw n GLY 19 N 1.75 0.59 0.09 7.41 0.00 0.35 -4.52 105.19 110.86 1rkw n GLY 19 Ca -0.19 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.53 1rkw n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rkw h TYR 20 N 0.00 0.26 -0.09 1.61 3.20 -1.79 -3.33 116.97 116.84 1rkw h TYR 20 Ca 0.00 -0.19 -0.12 0.00 3.14 0.00 0.00 58.73 61.56 1rkw h TYR 20 Cb 0.00 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.26 1rkw h TYR 20 CO 0.00 1.18 -0.41 -0.91 -1.64 0.00 0.00 178.16 176.37 1rkw h ASN 21 N 0.04 0.52 0.75 -2.11 2.35 -1.93 -3.25 115.58 111.95 1rkw h ASN 21 Ca -0.12 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 54.98 1rkw h ASN 21 Cb 1.91 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 40.13 1rkw h ASN 21 CO 0.16 1.07 0.00 0.00 -1.65 0.00 0.00 177.43 177.01 1rkw n ALA 22 N -2.53 2.10 -2.59 -0.83 0.00 -1.26 -4.67 120.51 110.73 1rkw n ALA 22 Ca -0.08 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1rkw n ALA 22 Cb 0.55 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1rkw n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rkw s THR 23 N -2.93 4.85 0.10 0.00 2.01 -1.23 -5.03 115.64 113.41 1rkw s THR 23 Ca 0.13 0.87 0.04 0.00 0.31 0.00 0.00 61.69 63.05 1rkw s THR 23 Cb 0.16 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1rkw s THR 23 CO 0.42 -0.27 0.06 0.42 -0.69 0.00 0.00 174.62 174.56 1rkw s THR 24 N 2.81 4.33 0.30 -0.82 -4.23 -1.26 -5.00 115.64 111.77 1rkw s THR 24 Ca 0.28 -0.90 0.05 0.00 -1.18 0.00 0.00 61.69 59.94 1rkw s THR 24 Cb -0.14 -3.10 0.29 0.00 1.34 0.00 0.00 72.50 70.89 1rkw s THR 24 CO 0.14 0.09 1.74 0.00 -0.54 0.00 0.00 174.62 176.04 1rkw h THR 25 N 2.60 0.60 -0.19 3.99 1.03 -1.99 -0.27 112.91 118.69 1rkw h THR 25 Ca -0.47 -0.20 -0.15 0.00 -0.01 0.00 0.00 66.41 65.58 1rkw h THR 25 Cb 1.17 -0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 68.20 1rkw h THR 25 CO 0.63 0.11 -0.50 1.23 -0.01 0.00 0.00 175.52 176.98 1rkw h GLY 26 N 0.59 0.56 1.04 2.99 0.00 -1.98 -0.73 103.07 105.54 1rkw h GLY 26 Ca 0.57 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1rkw h GLY 26 CO -0.44 0.55 -0.13 -2.09 0.00 0.00 0.00 176.54 174.43 1rkw h GLU 27 N 0.40 0.90 0.49 4.80 4.81 -1.65 -0.21 114.58 124.11 1rkw h GLU 27 Ca 0.02 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1rkw h GLU 27 Cb 1.02 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 1rkw h GLU 27 CO 0.09 1.00 -0.33 0.82 -0.73 0.00 0.00 179.01 179.87 1rkw h ILE 28 N 0.74 0.00 -0.98 2.32 2.04 -0.80 -2.79 117.51 118.03 1rkw h ILE 28 Ca 0.11 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.19 1rkw h ILE 28 Cb 0.68 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.65 1rkw h ILE 28 CO 0.05 0.00 0.57 1.62 0.00 0.00 0.00 178.15 180.39 1rkw h VAL 29 N -0.77 0.61 0.67 1.67 3.04 -1.10 -1.60 116.25 118.76 1rkw h VAL 29 Ca -0.06 -0.22 -0.03 0.00 -1.01 0.00 0.00 66.70 65.38 1rkw h VAL 29 Cb 0.63 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 1rkw h VAL 29 CO 0.05 0.12 -0.36 0.50 -1.01 0.00 0.00 177.57 176.86 1rkw h LYS 30 N 0.64 -0.91 0.00 4.17 3.64 -0.94 -1.67 116.57 121.50 1rkw h LYS 30 Ca 0.60 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 1rkw h LYS 30 Cb 1.04 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1rkw h LYS 30 CO -0.44 -0.61 0.08 -0.07 -2.27 0.00 0.00 179.45 176.15 1rkw h LEU 31 N -0.95 0.00 -2.39 5.20 3.38 -1.12 -0.37 115.31 119.06 1rkw h LEU 31 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1rkw h LEU 31 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1rkw h LEU 31 CO 0.12 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 1rkw n SER 32 N -2.51 3.53 -3.79 -0.43 3.41 -0.66 -4.95 113.62 108.21 1rkw n SER 32 Ca -0.02 -1.99 -0.25 0.00 -0.26 0.00 0.00 58.87 56.36 1rkw n SER 32 Cb 0.13 -0.35 0.01 0.00 -0.26 0.00 0.00 64.21 63.74 1rkw n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rkw n GLU 33 N 1.48 -3.44 -1.39 4.33 1.02 -0.15 -4.84 120.64 117.65 1rkw n GLU 33 Ca 0.21 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1rkw n GLU 33 Cb 0.59 -4.71 0.00 0.00 -0.02 0.00 0.00 31.44 27.30 1rkw n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rkw n SER 34 N -2.96 0.43 -4.01 1.62 2.88 -0.65 -5.07 113.62 105.86 1rkw n SER 34 Ca -0.26 -0.69 -0.13 0.00 -1.33 0.00 0.00 58.87 56.45 1rkw n SER 34 Cb 0.66 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.00 1rkw n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1rkw s SER 35 N -0.39 0.66 0.28 -3.46 1.04 -1.26 -4.60 113.70 105.97 1rkw s SER 35 Ca 0.00 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.05 1rkw s SER 35 Cb 0.00 0.01 0.59 0.00 0.10 0.00 0.00 66.02 66.72 1rkw s SER 35 CO 0.00 -0.13 1.77 0.11 0.98 0.00 0.00 173.24 175.97 1rkw h LYS 36 N 5.02 0.69 -0.26 4.02 1.57 -1.92 1.07 116.57 126.75 1rkw h LYS 36 Ca -0.33 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1rkw h LYS 36 Cb 1.20 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.29 1rkw h LYS 36 CO 0.44 0.45 -0.49 0.78 -0.57 0.00 0.00 179.45 180.06 1rkw h GLY 37 N 0.71 -1.13 1.02 3.86 0.00 -1.98 0.68 103.07 106.22 1rkw h GLY 37 Ca 0.50 0.71 -0.01 0.00 0.00 0.00 0.00 47.33 48.52 1rkw h GLY 37 CO -0.36 -0.21 0.46 -0.57 0.00 0.00 0.00 176.54 175.87 1rkw h ASN 38 N -0.43 1.03 0.11 0.19 -1.24 -0.61 -1.38 115.58 113.25 1rkw h ASN 38 Ca 0.05 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 1rkw h ASN 38 Cb 0.56 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.35 1rkw h ASN 38 CO -0.47 0.82 -0.05 0.25 -1.29 0.00 0.00 177.43 176.69 1rkw h LEU 39 N 1.15 -0.12 -1.76 0.34 6.46 0.20 -1.97 115.31 119.61 1rkw h LEU 39 Ca 0.29 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 58.04 1rkw h LEU 39 Cb 0.02 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 1rkw h LEU 39 CO -0.05 -0.04 0.23 1.88 -0.62 0.00 0.00 178.44 179.84 1rkw h TYR 40 N -0.20 0.30 0.16 1.25 0.05 0.52 0.22 116.97 119.28 1rkw h TYR 40 Ca -0.01 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1rkw h TYR 40 Cb 0.16 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1rkw h TYR 40 CO -0.05 0.18 -0.08 -0.92 -1.05 0.00 0.00 178.16 176.24 1rkw h TYR 41 N 0.32 -0.19 -0.56 4.88 3.20 -0.97 -3.29 116.97 120.35 1rkw h TYR 41 Ca 0.14 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1rkw h TYR 41 Cb 0.17 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1rkw h TYR 41 CO -0.00 0.14 0.12 0.45 -1.64 0.00 0.00 178.16 177.23 1rkw h HIS 42 N -0.55 0.92 -3.65 -3.82 3.86 -0.58 -3.41 115.15 107.91 1rkw h HIS 42 Ca -0.02 -0.10 -0.52 0.00 -1.16 0.00 0.00 60.37 58.58 1rkw h HIS 42 Cb 0.42 -0.26 -0.32 0.00 1.06 0.00 0.00 27.41 28.31 1rkw h HIS 42 CO 0.03 0.78 -0.82 -0.06 0.86 0.00 0.00 177.93 178.72 1rkw s PHE 43 N -5.19 1.47 0.08 2.45 0.40 0.72 -5.05 117.98 112.85 1rkw s PHE 43 Ca -0.10 -0.47 -0.24 0.00 -0.60 0.00 0.00 56.93 55.52 1rkw s PHE 43 Cb 0.15 -1.04 -0.16 0.00 0.51 0.00 0.00 43.02 42.49 1rkw s PHE 43 CO 0.81 -0.21 1.69 0.87 0.70 0.00 0.00 175.22 179.08 1rkw h LYS 44 N 6.62 -0.05 -4.83 0.44 1.57 -1.81 -3.31 116.57 115.20 1rkw h LYS 44 Ca -0.32 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.07 1rkw h LYS 44 Cb 1.18 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 1rkw h LYS 44 CO 0.48 0.01 -0.56 0.95 -0.57 0.00 0.00 179.45 179.76 1rkw s THR 45 N -6.01 0.20 0.25 -0.16 -4.23 -1.26 -4.80 115.64 99.63 1rkw s THR 45 Ca -0.13 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.37 1rkw s THR 45 Cb 0.05 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.46 1rkw s THR 45 CO 0.66 0.00 1.70 0.50 -0.54 0.00 0.00 174.62 176.94 1rkw h LYS 46 N 2.27 0.65 -0.77 3.99 3.64 -1.99 -1.14 116.57 123.23 1rkw h LYS 46 Ca -0.32 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 58.80 1rkw h LYS 46 Cb 1.25 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1rkw h LYS 46 CO 0.49 0.80 0.38 1.49 -2.27 0.00 0.00 179.45 180.34 1rkw h GLU 47 N 0.58 1.10 -0.02 1.90 4.22 -1.99 -0.80 114.58 119.57 1rkw h GLU 47 Ca 0.09 -0.15 -0.20 0.00 0.08 0.00 0.00 59.36 59.17 1rkw h GLU 47 Cb 0.64 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1rkw h GLU 47 CO 0.05 0.84 -0.86 -0.97 -2.18 0.00 0.00 179.01 175.89 1rkw h ASN 48 N 1.08 0.40 0.30 1.04 -1.24 -1.88 -2.02 115.58 113.26 1rkw h ASN 48 Ca 0.26 -0.31 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 1rkw h ASN 48 Cb 0.10 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 1rkw h ASN 48 CO -0.04 1.09 -0.25 0.25 -1.29 0.00 0.00 177.43 177.19 1rkw h LEU 49 N 0.19 -0.65 -0.47 0.34 5.85 -0.93 -0.67 115.31 118.98 1rkw h LEU 49 Ca -0.05 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1rkw h LEU 49 Cb 1.48 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.66 1rkw h LEU 49 CO 0.14 -0.37 0.13 0.15 -0.34 0.00 0.00 178.44 178.14 1rkw h PHE 50 N -0.56 0.21 -0.95 1.25 3.04 -1.05 -0.60 116.94 118.28 1rkw h PHE 50 Ca -0.02 0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.99 1rkw h PHE 50 Cb 0.50 -0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.93 1rkw h PHE 50 CO -0.14 0.04 0.63 1.25 -2.02 0.00 0.00 178.31 178.07 1rkw h LEU 51 N 0.28 1.05 -0.87 0.59 5.85 -1.14 0.27 115.31 121.33 1rkw h LEU 51 Ca 0.23 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 1rkw h LEU 51 Cb 0.27 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1rkw h LEU 51 CO -0.27 0.73 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.95 1rkw h GLU 52 N 1.22 0.51 -0.27 1.25 5.08 0.11 -1.42 114.58 121.06 1rkw h GLU 52 Ca 0.37 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1rkw h GLU 52 Cb -0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1rkw h GLU 52 CO -0.11 0.74 0.11 0.82 -1.00 0.00 0.00 179.01 179.57 1rkw h ILE 53 N 0.45 1.17 -0.98 3.13 2.04 0.01 -1.88 117.51 121.46 1rkw h ILE 53 Ca 0.06 -0.52 0.09 0.00 1.00 0.00 0.00 64.86 65.48 1rkw h ILE 53 Cb 0.71 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.74 1rkw h ILE 53 CO 0.05 0.18 0.63 -0.07 0.00 0.00 0.00 178.15 178.94 1rkw h LEU 54 N 0.29 0.96 -0.05 1.44 4.07 -0.70 -0.05 115.31 121.26 1rkw h LEU 54 Ca 0.09 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 1rkw h LEU 54 Cb 0.18 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 1rkw h LEU 54 CO -0.01 0.58 0.03 0.78 -1.08 0.00 0.00 178.44 178.74 1rkw h ASN 55 N 1.06 0.06 -0.84 -0.43 4.21 -0.73 -0.93 115.58 117.99 1rkw h ASN 55 Ca 0.44 -0.07 -0.03 0.00 1.21 0.00 0.00 56.30 57.85 1rkw h ASN 55 Cb 0.30 -0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.45 1rkw h ASN 55 CO -0.20 0.12 0.39 0.40 -1.29 0.00 0.00 177.43 176.85 1rkw h ILE 56 N 0.00 1.26 0.14 2.81 2.04 -0.93 -2.16 117.51 120.68 1rkw h ILE 56 Ca 0.02 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1rkw h ILE 56 Cb 0.07 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1rkw h ILE 56 CO -0.00 0.32 -0.07 -0.33 0.00 0.00 0.00 178.15 178.06 1rkw h GLU 57 N 1.20 -0.19 -0.15 2.37 4.39 -0.67 0.97 114.58 122.50 1rkw h GLU 57 Ca 0.29 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.92 1rkw h GLU 57 Cb 0.14 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1rkw h GLU 57 CO -0.03 -0.09 -0.24 1.05 -1.16 0.00 0.00 179.01 178.53 1rkw h GLU 58 N -0.23 0.26 -0.28 2.33 -0.00 -1.10 -1.98 114.58 113.58 1rkw h GLU 58 Ca -0.02 -0.09 -0.07 0.00 -0.00 0.00 0.00 59.36 59.19 1rkw h GLU 58 Cb 0.18 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.90 1rkw h GLU 58 CO 0.03 0.50 -0.09 1.03 -0.00 0.00 0.00 179.01 180.48 1rkw h SER 59 N 0.24 0.56 -0.81 3.06 0.87 -1.13 0.60 113.55 116.94 1rkw h SER 59 Ca 0.04 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 1rkw h SER 59 Cb 0.56 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 1rkw h SER 59 CO 0.04 0.81 0.41 0.11 -0.53 0.00 0.00 176.83 177.67 1rkw h LYS 60 N 0.30 1.15 0.00 2.24 1.79 -0.54 -0.58 116.57 120.93 1rkw h LYS 60 Ca 0.07 -0.16 -0.08 0.00 -2.18 0.00 0.00 60.65 58.30 1rkw h LYS 60 Cb 0.57 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1rkw h LYS 60 CO 0.03 0.87 -0.39 2.35 -1.08 0.00 0.00 179.45 181.24 1rkw h TRP 61 N 1.14 0.00 0.24 -1.35 2.91 -1.22 -1.73 115.95 115.93 1rkw h TRP 61 Ca 0.28 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.29 1rkw h TRP 61 Cb 0.08 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1rkw h TRP 61 CO 0.01 0.39 -0.11 0.37 -1.03 0.00 0.00 178.44 178.06 1rkw h GLN 62 N 0.00 -0.31 -0.79 2.65 4.15 -0.03 -2.27 115.11 118.52 1rkw h GLN 62 Ca -0.00 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.55 1rkw h GLN 62 Cb 0.71 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 28.39 1rkw h GLN 62 CO 0.05 0.05 0.40 1.49 -1.93 0.00 0.00 178.83 178.90 1rkw h GLU 63 N -0.76 0.61 -0.18 1.69 4.57 -0.99 -1.21 114.58 118.31 1rkw h GLU 63 Ca -0.03 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.01 1rkw h GLU 63 Cb 0.50 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1rkw h GLU 63 CO 0.05 0.40 -0.32 0.37 -1.18 0.00 0.00 179.01 178.34 1rkw h GLN 64 N 0.63 0.36 -0.09 1.92 4.15 -1.32 -2.27 115.11 118.50 1rkw h GLN 64 Ca 0.41 -0.15 -0.18 0.00 0.77 0.00 0.00 58.65 59.50 1rkw h GLN 64 Cb 0.50 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1rkw h GLN 64 CO -0.31 0.65 -0.71 2.35 -1.93 0.00 0.00 178.83 178.87 1rkw h TRP 65 N 0.31 0.58 -0.97 3.99 -0.00 -0.75 -1.82 115.95 117.29 1rkw h TRP 65 Ca 0.04 -0.25 0.01 0.00 -0.00 0.00 0.00 58.89 58.69 1rkw h TRP 65 Cb 0.72 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.16 29.74 1rkw h TRP 65 CO 0.02 1.01 0.64 -0.22 -0.00 0.00 0.00 178.44 179.89 1rkw h LYS 66 N 0.30 1.27 0.00 2.65 3.64 -0.82 0.20 116.57 123.81 1rkw h LYS 66 Ca -0.03 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.10 1rkw h LYS 66 Cb 1.28 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1rkw h LYS 66 CO 0.12 0.84 -0.85 0.87 -2.27 0.00 0.00 179.45 178.17 1rkw h LYS 67 N 1.31 0.00 0.00 1.90 1.57 -1.34 -3.35 116.57 116.66 1rkw h LYS 67 Ca 0.36 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.89 1rkw h LYS 67 Cb -0.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 1rkw h LYS 67 CO -0.08 0.85 -1.43 1.49 -0.57 0.00 0.00 179.45 179.71 1rkw h GLU 68 N 0.00 0.00 0.00 3.15 4.57 -0.69 -3.36 114.58 118.25 1rkw h GLU 68 Ca -0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1rkw h GLU 68 Cb 1.63 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.22 1rkw h GLU 68 CO 0.11 0.62 -0.10 -0.56 -1.18 0.00 0.00 179.01 177.90 1rkw h GLN 69 N 0.00 0.00 -0.85 1.92 3.07 -0.76 -2.42 115.11 116.08 1rkw h GLN 69 Ca -0.18 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.60 1rkw h GLN 69 Cb 1.88 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 29.39 1rkw h GLN 69 CO 0.09 0.10 0.56 0.82 0.09 0.00 0.00 178.83 180.48 1rkw h ILE 70 N 0.00 1.10 0.00 1.86 1.08 -1.75 -1.40 117.51 118.40 1rkw h ILE 70 Ca -0.00 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1rkw h ILE 70 Cb 0.32 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 1rkw h ILE 70 CO 0.01 0.18 0.08 0.29 -0.69 0.00 0.00 178.15 178.03 1rkw n LYS 71 N -4.46 0.05 -4.84 2.37 5.02 -0.91 -4.45 118.16 110.94 1rkw n LYS 71 Ca 0.12 0.50 -0.33 0.00 -2.02 0.00 0.00 58.31 56.58 1rkw n LYS 71 Cb 0.15 -1.74 -0.15 0.00 -0.02 0.00 0.00 35.03 33.26 1rkw n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rkw s ALA 72 N -3.10 2.48 0.00 7.82 0.00 -0.53 -5.05 121.76 123.38 1rkw s ALA 72 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1rkw s ALA 72 Cb 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1rkw s ALA 72 CO 0.07 0.20 0.61 1.17 0.00 0.00 0.00 175.76 177.81 1rkw n LYS 73 N 3.64 0.00 -2.33 0.00 4.81 -1.26 -4.81 118.16 118.21 1rkw n LYS 73 Ca -0.19 0.45 -0.25 0.00 -0.87 0.00 0.00 58.31 57.46 1rkw n LYS 73 Cb 0.53 -1.27 0.06 0.00 0.02 0.00 0.00 35.03 34.36 1rkw n LYS 73 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1rkw s THR 74 N -2.13 2.54 0.14 3.15 -4.23 -1.26 -4.95 115.64 108.90 1rkw s THR 74 Ca 0.00 -0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.16 1rkw s THR 74 Cb 0.00 -3.06 -0.16 0.00 1.34 0.00 0.00 72.50 70.62 1rkw s THR 74 CO 0.00 -0.06 1.34 0.78 -0.54 0.00 0.00 174.62 176.14 1rkw h ASN 75 N -0.39 0.47 -0.56 3.99 2.35 -1.92 -1.19 115.58 118.34 1rkw h ASN 75 Ca -0.44 -0.37 0.11 0.00 -0.55 0.00 0.00 56.30 55.05 1rkw h ASN 75 Cb 1.30 -0.14 -0.11 0.00 0.05 0.00 0.00 38.32 39.42 1rkw h ASN 75 CO 0.59 1.16 -0.18 -0.09 -1.65 0.00 0.00 177.43 177.25 1rkw h ARG 76 N 0.22 -0.05 0.10 0.81 1.12 -1.94 0.30 114.38 114.93 1rkw h ARG 76 Ca -0.06 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.80 1rkw h ARG 76 Cb 1.52 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.49 1rkw h ARG 76 CO 0.15 -0.03 -0.05 0.93 -3.11 0.00 0.00 179.97 177.86 1rkw h GLU 77 N -0.05 -0.13 -0.97 0.20 5.08 -1.89 -2.36 114.58 114.47 1rkw h GLU 77 Ca 0.26 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.80 1rkw h GLU 77 Cb 0.45 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.64 1rkw h GLU 77 CO -0.60 0.03 0.61 0.87 -1.00 0.00 0.00 179.01 178.92 1rkw h LYS 78 N -0.25 0.72 0.12 2.33 1.57 0.05 0.30 116.57 121.42 1rkw h LYS 78 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1rkw h LYS 78 Cb 0.21 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1rkw h LYS 78 CO 0.02 0.48 -0.06 0.35 -0.57 0.00 0.00 179.45 179.67 1rkw h PHE 79 N 0.74 -0.15 0.08 -1.35 3.57 -0.06 -0.49 116.94 119.28 1rkw h PHE 79 Ca 0.52 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 62.04 1rkw h PHE 79 Cb 0.83 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1rkw h PHE 79 CO -0.00 -0.06 -0.22 1.88 -2.23 0.00 0.00 178.31 177.68 1rkw h TYR 80 N -0.21 -0.59 0.40 0.41 0.05 -0.61 -2.60 116.97 113.82 1rkw h TYR 80 Ca -0.02 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1rkw h TYR 80 Cb 0.17 0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 1rkw h TYR 80 CO -0.06 -0.32 -0.34 1.25 -1.05 0.00 0.00 178.16 177.65 1rkw h LEU 81 N -0.40 -0.91 -0.77 3.88 5.85 -0.39 -2.54 115.31 120.04 1rkw h LEU 81 Ca 0.04 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.96 1rkw h LEU 81 Cb 0.43 0.30 -0.09 0.00 0.37 0.00 0.00 40.66 41.67 1rkw h LEU 81 CO -0.14 -0.50 0.34 0.22 -0.34 0.00 0.00 178.44 178.02 1rkw h TYR 82 N -0.75 0.59 0.00 1.25 3.20 -1.04 0.51 116.97 120.73 1rkw h TYR 82 Ca -0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1rkw h TYR 82 Cb 0.66 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1rkw h TYR 82 CO -0.17 0.12 -0.07 -0.91 -1.64 0.00 0.00 178.16 175.49 1rkw h ASN 83 N 0.51 0.00 0.04 -2.11 -0.26 -1.33 -1.67 115.58 110.76 1rkw h ASN 83 Ca 0.41 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 56.09 1rkw h ASN 83 Cb 0.59 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.85 1rkw h ASN 83 CO -0.37 0.07 -0.25 -0.08 -1.06 0.00 0.00 177.43 175.74 1rkw h GLU 84 N 0.00 0.10 -0.48 0.81 4.81 -0.55 -3.25 114.58 116.02 1rkw h GLU 84 Ca -0.00 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1rkw h GLU 84 Cb 0.51 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1rkw h GLU 84 CO 0.01 1.04 0.32 -0.07 -0.73 0.00 0.00 179.01 179.58 1rkw h LEU 85 N -0.75 0.43 -1.75 1.64 4.07 -0.78 -0.57 115.31 117.59 1rkw h LEU 85 Ca -0.04 -0.00 0.07 0.00 0.08 0.00 0.00 57.88 57.98 1rkw h LEU 85 Cb 1.16 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 1rkw h LEU 85 CO 0.05 0.29 0.30 0.28 -1.08 0.00 0.00 178.44 178.27 1rkw h SER 86 N 0.49 0.27 0.76 -0.43 0.02 -1.34 0.30 113.55 113.62 1rkw h SER 86 Ca 0.20 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1rkw h SER 86 Cb 0.17 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1rkw h SER 86 CO -0.05 0.17 -0.41 -0.07 -1.14 0.00 0.00 176.83 175.33 1rkw h LEU 87 N 0.31 0.00 0.00 5.07 3.38 -1.16 -3.34 115.31 119.56 1rkw h LEU 87 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1rkw h LEU 87 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1rkw h LEU 87 CO -0.04 0.41 -0.77 0.35 0.09 0.00 0.00 178.44 178.48 1rkw n THR 88 N -3.62 0.00 -1.48 0.22 -2.24 0.23 -5.02 114.28 102.37 1rkw n THR 88 Ca -0.01 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.19 1rkw n THR 88 Cb 0.51 0.74 0.07 0.00 -2.10 0.00 0.00 70.33 69.56 1rkw n THR 88 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1rkw s THR 89 N -2.10 3.39 -2.68 4.28 -1.32 0.81 -4.90 115.64 113.12 1rkw s THR 89 Ca 0.01 0.52 0.24 0.00 -1.21 0.00 0.00 61.69 61.24 1rkw s THR 89 Cb 0.06 -3.04 0.33 0.00 -1.51 0.00 0.00 72.50 68.34 1rkw s THR 89 CO 0.35 -0.52 1.34 -1.84 -2.21 0.00 0.00 174.62 171.75 1rkw n GLU 90 N -3.06 2.44 -4.09 7.08 0.28 -1.26 -4.78 120.64 117.25 1rkw n GLU 90 Ca 0.09 -2.16 -0.36 0.00 -0.16 0.00 0.00 57.16 54.58 1rkw n GLU 90 Cb 0.53 -1.49 -0.08 0.00 1.43 0.00 0.00 31.44 31.82 1rkw n GLU 90 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1rkw s TYR 91 N -1.68 3.35 0.00 -1.84 1.51 -1.26 -4.70 117.35 112.72 1rkw s TYR 91 Ca 0.35 0.29 0.00 0.00 -1.01 0.00 0.00 57.07 56.69 1rkw s TYR 91 Cb 0.22 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 1rkw s TYR 91 CO 0.31 0.49 0.00 0.98 -1.11 0.00 0.00 175.55 176.22 1rkw n TYR 92 N 2.45 0.00 -0.12 2.71 4.19 -1.26 -4.49 117.16 120.64 1rkw n TYR 92 Ca -0.19 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.16 1rkw n TYR 92 Cb 0.54 0.00 0.50 0.00 0.49 0.00 0.00 39.34 40.87 1rkw n TYR 92 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1rkw h TYR 93 N 0.00 0.46 0.00 2.98 0.05 -1.89 -1.09 116.97 117.49 1rkw h TYR 93 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1rkw h TYR 93 Cb 0.00 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.59 1rkw h TYR 93 CO 0.00 0.20 0.00 -1.35 -1.05 0.00 0.00 178.16 175.96 1rkw h PRO 94 N 0.42 0.00 -0.54 4.88 0.11 -1.84 -2.89 132.00 132.14 1rkw h PRO 94 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1rkw h PRO 94 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1rkw h PRO 94 CO -0.09 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.98 1rkw n LEU 95 N -2.44 3.61 0.00 2.35 4.77 -0.41 -4.68 117.00 120.20 1rkw n LEU 95 Ca 0.00 -1.76 -0.11 0.00 -0.03 0.00 0.00 56.01 54.11 1rkw n LEU 95 Cb 0.17 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1rkw n LEU 95 CO 0.18 0.85 0.64 1.56 -1.33 0.00 0.00 177.39 179.28 1rkw h GLN 96 N 4.10 -0.40 -0.22 3.23 1.08 -1.56 -0.22 115.11 121.13 1rkw h GLN 96 Ca 0.00 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1rkw h GLN 96 Cb 0.95 0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 28.40 1rkw h GLN 96 CO 0.00 -0.27 -0.55 -0.97 -0.95 0.00 0.00 178.83 176.10 1rkw h ASN 97 N -0.41 -1.76 -0.44 1.46 -1.24 -1.85 0.31 115.58 111.64 1rkw h ASN 97 Ca 0.09 0.22 0.11 0.00 0.71 0.00 0.00 56.30 57.43 1rkw h ASN 97 Cb 0.56 0.70 -0.02 0.00 0.73 0.00 0.00 38.32 40.29 1rkw h ASN 97 CO -0.36 -0.46 0.31 0.00 -1.29 0.00 0.00 177.43 175.63 1rkw h ALA 98 N -0.21 2.27 -0.22 1.57 0.00 -1.73 -0.99 119.26 119.95 1rkw h ALA 98 Ca 0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1rkw h ALA 98 Cb 0.66 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1rkw h ALA 98 CO -0.49 -0.39 -0.56 0.82 0.00 0.00 0.00 179.25 178.64 1rkw h ILE 99 N 0.11 1.31 -0.14 0.00 2.04 0.13 -1.31 117.51 119.64 1rkw h ILE 99 Ca 0.21 -1.79 -0.02 0.00 1.00 0.00 0.00 64.86 64.26 1rkw h ILE 99 Cb 0.68 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1rkw h ILE 99 CO -0.02 0.57 0.01 0.16 0.00 0.00 0.00 178.15 178.87 1rkw h ILE 100 N 0.51 1.23 -0.32 -0.67 3.07 0.60 -0.40 117.51 121.53 1rkw h ILE 100 Ca 0.01 -0.76 0.06 0.00 1.55 0.00 0.00 64.86 65.71 1rkw h ILE 100 Cb 1.13 1.46 -0.05 0.00 -0.27 0.00 0.00 36.82 39.09 1rkw h ILE 100 CO 0.11 0.22 0.01 -0.33 -1.05 0.00 0.00 178.15 177.11 1rkw h GLU 101 N 0.00 0.10 -0.38 0.16 5.08 -1.41 0.23 114.58 118.37 1rkw h GLU 101 Ca 0.04 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1rkw h GLU 101 Cb 0.33 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1rkw h GLU 101 CO 0.00 0.07 0.19 0.35 -1.00 0.00 0.00 179.01 178.62 1rkw h PHE 102 N 0.10 0.35 -0.41 4.33 3.04 -1.07 -1.57 116.94 121.71 1rkw h PHE 102 Ca 0.16 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 1rkw h PHE 102 Cb 0.21 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 1rkw h PHE 102 CO -0.22 0.19 0.17 -0.92 -2.02 0.00 0.00 178.31 175.51 1rkw h TYR 103 N 0.39 0.61 -0.05 0.41 5.03 -0.26 -0.60 116.97 122.51 1rkw h TYR 103 Ca 0.16 -0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.40 1rkw h TYR 103 Cb 0.06 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.15 1rkw h TYR 103 CO -0.10 0.53 -0.12 1.79 -1.32 0.00 0.00 178.16 178.94 1rkw h THR 104 N 0.52 1.12 0.00 1.81 1.35 -0.22 -0.62 112.91 116.86 1rkw h THR 104 Ca 0.14 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1rkw h THR 104 Cb 0.17 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1rkw h THR 104 CO -0.01 0.16 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.32 1rkw h GLU 105 N 0.07 0.00 0.00 4.72 4.81 -0.54 -3.37 114.58 120.27 1rkw h GLU 105 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1rkw h GLU 105 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1rkw h GLU 105 CO 0.02 0.00 -0.18 0.66 -0.73 0.00 0.00 179.01 178.78 1rkw n TYR 106 N -2.32 0.00 0.29 0.92 4.01 -0.30 -4.80 117.16 114.96 1rkw n TYR 106 Ca 0.05 -0.13 0.18 0.00 -0.16 0.00 0.00 57.90 57.84 1rkw n TYR 106 Cb 0.44 -0.04 0.77 0.00 -0.31 0.00 0.00 39.34 40.20 1rkw n TYR 106 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 1rkw h TYR 107 N 0.00 0.00 0.10 -0.72 -0.00 -1.30 -2.65 116.97 112.40 1rkw h TYR 107 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.73 58.46 1rkw h TYR 107 Cb 1.09 0.00 0.03 0.00 -0.00 0.00 0.00 36.73 37.85 1rkw h TYR 107 CO 0.04 0.00 -1.13 0.87 -0.00 0.00 0.00 178.16 177.93 1rkw h LYS 108 N 0.00 0.60 -6.61 0.10 6.56 -1.87 -3.44 116.57 111.91 1rkw h LYS 108 Ca 0.00 -0.77 -0.52 0.00 -1.06 0.00 0.00 60.65 58.30 1rkw h LYS 108 Cb 0.42 0.25 0.05 0.00 -0.57 0.00 0.00 32.23 32.37 1rkw h LYS 108 CO 0.00 1.34 0.96 0.99 -2.06 0.00 0.00 179.45 180.68 1rkw s THR 109 N -3.00 2.39 -0.06 -0.16 2.01 -1.00 -4.93 115.64 110.89 1rkw s THR 109 Ca -0.10 0.25 -0.25 0.00 0.31 0.00 0.00 61.69 61.89 1rkw s THR 109 Cb 0.05 -3.16 -0.20 0.00 0.01 0.00 0.00 72.50 69.20 1rkw s THR 109 CO 0.92 0.02 1.05 -1.13 -0.69 0.00 0.00 174.62 174.78 1rkw h ASN 110 N 6.98 -0.05 -0.60 3.53 -1.24 -1.84 -1.75 115.58 120.61 1rkw h ASN 110 Ca -0.43 -0.56 0.06 0.00 0.71 0.00 0.00 56.30 56.08 1rkw h ASN 110 Cb 1.20 0.01 -0.05 0.00 0.73 0.00 0.00 38.32 40.22 1rkw h ASN 110 CO 0.94 0.56 0.31 0.77 -1.29 0.00 0.00 177.43 178.72 1rkw h SER 111 N -0.71 0.45 -0.40 1.15 4.64 -1.95 0.78 113.55 117.51 1rkw h SER 111 Ca -0.01 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1rkw h SER 111 Cb 0.61 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1rkw h SER 111 CO 0.01 0.29 0.18 0.40 -0.87 0.00 0.00 176.83 176.85 1rkw h ILE 112 N 0.58 1.18 -0.16 0.95 2.04 -1.88 -2.16 117.51 118.07 1rkw h ILE 112 Ca 0.27 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1rkw h ILE 112 Cb 0.18 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1rkw h ILE 112 CO -0.18 0.20 -0.04 -1.13 0.00 0.00 0.00 178.15 177.00 1rkw h ASN 113 N 0.50 0.21 -0.04 1.72 -1.24 -0.47 -1.13 115.58 115.14 1rkw h ASN 113 Ca 0.14 -0.03 -0.12 0.00 0.71 0.00 0.00 56.30 57.00 1rkw h ASN 113 Cb 0.14 -0.05 0.01 0.00 0.73 0.00 0.00 38.32 39.15 1rkw h ASN 113 CO -0.02 0.29 -0.44 -0.33 -1.29 0.00 0.00 177.43 175.64 1rkw h GLU 114 N 0.22 0.36 -0.67 6.67 5.08 -0.58 -1.74 114.58 123.93 1rkw h GLU 114 Ca 0.05 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1rkw h GLU 114 Cb 0.22 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1rkw h GLU 114 CO 0.01 1.01 0.41 0.87 -1.00 0.00 0.00 179.01 180.31 1rkw h LYS 115 N -0.16 0.89 -0.29 2.33 1.57 -1.25 -1.14 116.57 118.53 1rkw h LYS 115 Ca -0.04 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1rkw h LYS 115 Cb 1.13 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1rkw h LYS 115 CO 0.09 0.61 0.08 1.98 -0.57 0.00 0.00 179.45 181.64 1rkw h MET 116 N 0.91 0.45 -0.02 3.15 4.05 -1.13 -2.48 114.93 119.87 1rkw h MET 116 Ca 0.24 -0.10 -0.12 0.00 -0.28 0.00 0.00 59.70 59.44 1rkw h MET 116 Cb -0.06 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 1rkw h MET 116 CO -0.05 0.53 -0.54 -0.91 0.23 0.00 0.00 176.91 176.16 1rkw h ASN 117 N 0.30 0.06 0.00 1.39 -0.26 -0.74 -0.89 115.58 115.45 1rkw h ASN 117 Ca 0.09 -0.03 0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1rkw h ASN 117 Cb 0.27 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.49 1rkw h ASN 117 CO -0.00 0.60 -0.11 0.11 -1.06 0.00 0.00 177.43 176.96 1rkw h LYS 118 N 0.04 -0.18 -0.00 0.81 1.57 -1.06 0.19 116.57 117.93 1rkw h LYS 118 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1rkw h LYS 118 Cb 0.98 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 1rkw h LYS 118 CO 0.07 -0.12 -0.00 -0.07 -0.57 0.00 0.00 179.45 178.76 1rkw h LEU 119 N -0.19 -0.01 -0.81 2.94 3.38 -1.22 -2.48 115.31 116.92 1rkw h LEU 119 Ca 0.04 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.14 1rkw h LEU 119 Cb 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 1rkw h LEU 119 CO -0.11 -0.00 0.42 -0.08 0.09 0.00 0.00 178.44 178.75 1rkw h GLU 120 N -0.01 0.62 -0.27 1.13 4.57 -0.82 1.00 114.58 120.81 1rkw h GLU 120 Ca 0.00 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1rkw h GLU 120 Cb 0.01 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1rkw h GLU 120 CO -0.00 0.41 0.09 -0.91 -1.18 0.00 0.00 179.01 177.42 1rkw h ASN 121 N 0.64 0.35 -0.05 1.04 -0.26 -0.26 -2.32 115.58 114.71 1rkw h ASN 121 Ca 0.42 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 56.07 1rkw h ASN 121 Cb 0.53 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1rkw h ASN 121 CO -0.32 0.34 -0.22 0.11 -1.06 0.00 0.00 177.43 176.28 1rkw h LYS 122 N 0.39 0.23 0.00 0.81 1.57 -0.43 0.28 116.57 119.42 1rkw h LYS 122 Ca 0.10 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1rkw h LYS 122 Cb 0.11 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1rkw h LYS 122 CO -0.01 0.83 0.06 0.98 -0.57 0.00 0.00 179.45 180.75 1rkw n TYR 123 N -4.53 0.00 -0.02 -1.35 9.36 -0.35 -0.95 117.16 119.31 1rkw n TYR 123 Ca -0.08 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.12 1rkw n TYR 123 Cb 0.45 -0.29 -0.04 0.00 -0.63 0.00 0.00 39.34 38.83 1rkw n TYR 123 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1rkw n ILE 124 N -1.27 0.30 -0.34 2.97 5.41 -0.91 -4.65 119.36 120.86 1rkw n ILE 124 Ca 0.00 -0.20 0.12 0.00 1.00 0.00 0.00 62.75 63.67 1rkw n ILE 124 Cb 0.06 -0.73 0.32 0.00 -0.71 0.00 0.00 39.64 38.58 1rkw n ILE 124 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1rkw h ASP 125 N 0.00 0.78 -0.67 4.38 3.58 0.14 -0.70 116.42 123.93 1rkw h ASP 125 Ca -0.12 0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.47 1rkw h ASP 125 Cb 1.18 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 42.10 1rkw h ASP 125 CO 0.01 0.33 0.37 0.00 -2.88 0.00 0.00 179.24 177.07 1rkw h ALA 126 N 1.61 0.90 -0.21 -0.78 0.00 -1.82 0.36 119.26 119.31 1rkw h ALA 126 Ca 0.54 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.34 1rkw h ALA 126 Cb 0.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1rkw h ALA 126 CO -0.32 0.05 -0.41 1.88 0.00 0.00 0.00 179.25 180.45 1rkw h TYR 127 N 0.68 0.59 0.20 0.00 0.05 -1.49 -2.49 116.97 114.52 1rkw h TYR 127 Ca 0.30 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 1rkw h TYR 127 Cb 0.19 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 1rkw h TYR 127 CO -0.08 0.83 -0.12 1.25 -1.05 0.00 0.00 178.16 179.00 1rkw h HIS 128 N 0.41 -0.30 -0.37 4.88 2.76 0.20 -1.26 115.15 121.48 1rkw h HIS 128 Ca 0.03 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.24 1rkw h HIS 128 Cb 0.89 0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.92 1rkw h HIS 128 CO 0.03 -0.18 0.15 0.28 -1.30 0.00 0.00 177.93 176.91 1rkw h VAL 129 N -0.30 0.92 -0.65 5.26 2.07 -0.31 0.89 116.25 124.13 1rkw h VAL 129 Ca -0.02 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1rkw h VAL 129 Cb 0.25 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1rkw h VAL 129 CO 0.03 0.06 0.39 0.40 0.02 0.00 0.00 177.57 178.46 1rkw h ILE 130 N 0.31 1.19 -0.19 4.57 2.04 -1.28 0.03 117.51 124.18 1rkw h ILE 130 Ca 0.16 -0.42 -0.20 0.00 1.00 0.00 0.00 64.86 65.40 1rkw h ILE 130 Cb 0.12 0.30 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1rkw h ILE 130 CO -0.15 0.20 -0.66 -0.26 0.00 0.00 0.00 178.15 177.28 1rkw h PHE 131 N 0.88 1.03 0.40 1.37 0.04 -0.97 -0.95 116.94 118.73 1rkw h PHE 131 Ca 0.23 -0.42 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 1rkw h PHE 131 Cb -0.02 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1rkw h PHE 131 CO -0.02 1.25 -0.19 -0.22 -0.60 0.00 0.00 178.31 178.53 1rkw h LYS 132 N 0.52 -0.51 -0.87 1.51 3.64 -0.78 -2.47 116.57 117.62 1rkw h LYS 132 Ca -0.03 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 59.64 1rkw h LYS 132 Cb 1.28 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.18 1rkw h LYS 132 CO 0.14 -0.34 0.75 1.49 -2.27 0.00 0.00 179.45 179.22 1rkw h GLU 133 N -0.58 0.00 -0.08 1.90 4.57 -1.07 0.53 114.58 119.85 1rkw h GLU 133 Ca -0.05 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.91 1rkw h GLU 133 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1rkw h GLU 133 CO 0.09 0.00 -0.82 0.78 -1.18 0.00 0.00 179.01 177.88 1rkw h GLY 134 N 0.00 0.64 0.40 1.92 0.00 -1.06 -3.30 103.07 101.67 1rkw h GLY 134 Ca 0.41 -0.96 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1rkw h GLY 134 CO -0.00 0.86 -0.47 3.43 0.00 0.00 0.00 176.54 180.36 1rkw h ASN 135 N 0.37 -1.32 0.00 0.19 2.35 0.56 -0.97 115.58 116.75 1rkw h ASN 135 Ca -0.06 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1rkw h ASN 135 Cb 1.44 0.46 0.00 0.00 0.05 0.00 0.00 38.32 40.27 1rkw h ASN 135 CO 0.15 -0.58 0.00 0.00 -1.65 0.00 0.00 177.43 175.35 1rkw n LEU 136 N -5.51 3.48 0.00 1.61 -0.00 -1.14 -0.51 117.00 114.92 1rkw n LEU 136 Ca -0.10 -1.62 0.00 0.00 -0.00 0.00 0.00 56.01 54.29 1rkw n LEU 136 Cb 0.42 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 1rkw n LEU 136 CO 0.23 0.63 0.07 0.59 -0.00 0.00 0.00 177.39 178.91 1rkw n ASN 137 N 1.13 0.00 -3.77 1.45 3.02 -0.76 -5.03 115.26 111.29 1rkw n ASN 137 Ca 0.00 -1.00 -0.29 0.00 -0.03 0.00 0.00 54.58 53.26 1rkw n ASN 137 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1rkw n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rkw n GLY 138 N 0.00 -0.48 0.19 7.41 0.00 0.33 -4.80 105.19 107.84 1rkw n GLY 138 Ca 0.00 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1rkw n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rkw h GLU 139 N -1.49 0.00 0.00 1.61 5.08 -1.43 -3.48 114.58 114.87 1rkw h GLU 139 Ca -0.53 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 57.92 1rkw h GLU 139 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1rkw h GLU 139 CO 0.65 0.05 0.28 -2.67 -1.00 0.00 0.00 179.01 176.31 1rkw n TRP 140 N -3.02 -0.64 -3.67 4.33 2.14 -1.26 -5.04 117.44 110.29 1rkw n TRP 140 Ca 0.03 -0.41 -0.19 0.00 2.07 0.00 0.00 57.50 58.99 1rkw n TRP 140 Cb 0.56 0.20 -0.17 0.00 -0.81 0.00 0.00 31.31 31.08 1rkw n TRP 140 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1rkw s SER 141 N -2.01 1.08 -0.07 -0.67 0.15 -1.26 -4.39 113.70 106.53 1rkw s SER 141 Ca 0.10 0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.91 1rkw s SER 141 Cb -0.01 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1rkw s SER 141 CO 0.01 -0.25 -0.19 -0.63 1.20 0.00 0.00 173.24 173.38 1rkw s ILE 142 N 2.20 1.63 0.00 6.45 1.01 -1.26 -4.43 121.20 126.80 1rkw s ILE 142 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1rkw s ILE 142 Cb -0.12 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1rkw s ILE 142 CO -0.04 0.46 0.00 -0.46 0.00 0.00 0.00 174.94 174.91 1rkw n ASN 143 N 3.42 0.00 -4.40 3.58 6.94 -1.26 -4.58 115.26 118.96 1rkw n ASN 143 Ca -0.20 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 53.99 1rkw n ASN 143 Cb 0.52 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.82 1rkw n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1rkw s ASP 144 N -2.55 5.11 0.12 0.53 2.15 -1.26 -4.99 116.67 115.79 1rkw s ASP 144 Ca 0.00 -0.45 -0.10 0.00 0.43 0.00 0.00 52.55 52.43 1rkw s ASP 144 Cb 0.00 -1.90 -0.10 0.00 -0.30 0.00 0.00 42.92 40.62 1rkw s ASP 144 CO 0.00 -0.11 1.34 0.58 -0.17 0.00 0.00 175.17 176.81 1rkw h VAL 145 N 5.69 1.30 -0.50 1.11 2.07 -1.99 -2.89 116.25 121.05 1rkw h VAL 145 Ca -0.35 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.12 1rkw h VAL 145 Cb 1.15 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1rkw h VAL 145 CO 0.60 0.63 0.18 0.78 0.02 0.00 0.00 177.57 179.78 1rkw h ASN 146 N 0.48 0.65 0.33 0.57 4.21 -1.95 -1.25 115.58 118.62 1rkw h ASN 146 Ca -0.05 -0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.37 1rkw h ASN 146 Cb 1.38 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 1rkw h ASN 146 CO 0.15 0.60 -0.16 0.00 -1.29 0.00 0.00 177.43 176.74 1rkw h ALA 147 N 1.49 -0.44 -0.45 -0.83 0.00 -1.98 -2.77 119.26 114.28 1rkw h ALA 147 Ca 0.17 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1rkw h ALA 147 Cb 0.17 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1rkw h ALA 147 CO -0.01 -0.52 0.31 0.28 0.00 0.00 0.00 179.25 179.31 1rkw h VAL 148 N -0.89 0.88 -0.16 0.00 2.07 -1.42 -0.15 116.25 116.58 1rkw h VAL 148 Ca -0.04 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 1rkw h VAL 148 Cb 0.52 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1rkw h VAL 148 CO 0.07 0.04 -0.46 0.28 0.02 0.00 0.00 177.57 177.52 1rkw h SER 149 N 0.22 0.44 -0.32 0.57 0.02 -1.21 -0.00 113.55 113.27 1rkw h SER 149 Ca 0.21 -0.21 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1rkw h SER 149 Cb 0.53 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1rkw h SER 149 CO -0.04 0.84 -0.42 0.11 -1.14 0.00 0.00 176.83 176.18 1rkw h LYS 150 N 0.33 0.86 0.30 3.45 1.57 -0.78 -2.28 116.57 120.02 1rkw h LYS 150 Ca 0.02 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1rkw h LYS 150 Cb 0.94 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1rkw h LYS 150 CO 0.08 1.13 -0.14 0.82 -0.57 0.00 0.00 179.45 180.77 1rkw h ILE 151 N 0.65 0.73 -0.08 1.86 2.04 -1.02 -2.42 117.51 119.27 1rkw h ILE 151 Ca 0.04 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.48 1rkw h ILE 151 Cb 1.02 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 1rkw h ILE 151 CO 0.10 0.09 -0.42 0.00 0.00 0.00 0.00 178.15 177.93 1rkw h ALA 152 N -0.04 -0.61 -0.59 1.87 0.00 -1.04 0.16 119.26 119.00 1rkw h ALA 152 Ca -0.04 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.97 1rkw h ALA 152 Cb 0.46 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1rkw h ALA 152 CO 0.07 -0.93 -0.03 0.00 0.00 0.00 0.00 179.25 178.36 1rkw h ALA 153 N 0.07 0.54 0.00 0.00 0.00 -1.41 0.67 119.26 119.14 1rkw h ALA 153 Ca 0.06 0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 1rkw h ALA 153 Cb 0.63 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1rkw h ALA 153 CO -0.36 -0.40 -0.88 -0.91 0.00 0.00 0.00 179.25 176.69 1rkw h ASN 154 N 0.09 0.24 0.02 0.00 2.35 -1.14 0.48 115.58 117.62 1rkw h ASN 154 Ca 0.30 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1rkw h ASN 154 Cb 0.48 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1rkw h ASN 154 CO -0.53 1.00 -0.01 0.00 -1.65 0.00 0.00 177.43 176.25 1rkw h ALA 155 N 0.98 -0.03 -0.68 -0.83 0.00 0.33 -2.05 119.26 116.97 1rkw h ALA 155 Ca -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1rkw h ALA 155 Cb 1.51 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 1rkw h ALA 155 CO 0.13 -0.32 0.34 0.28 0.00 0.00 0.00 179.25 179.69 1rkw h VAL 156 N -0.44 1.22 0.00 0.00 2.07 0.33 -1.46 116.25 117.97 1rkw h VAL 156 Ca -0.00 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1rkw h VAL 156 Cb 0.41 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1rkw h VAL 156 CO 0.01 0.25 -0.15 -1.13 0.02 0.00 0.00 177.57 176.57 1rkw h ASN 157 N 0.96 0.00 1.31 0.57 -0.73 -0.83 -1.12 115.58 115.74 1rkw h ASN 157 Ca 0.24 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.40 1rkw h ASN 157 Cb 0.08 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.67 1rkw h ASN 157 CO -0.03 0.15 -0.70 1.23 -0.37 0.00 0.00 177.43 177.71 1rkw h GLY 158 N 0.61 0.00 0.73 1.57 0.00 -0.53 -1.47 103.07 103.97 1rkw h GLY 158 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 1rkw h GLY 158 CO 0.02 0.00 -0.36 -2.22 0.00 0.00 0.00 176.54 173.98 1rkw h ILE 159 N 0.00 1.41 0.77 2.60 1.08 -0.78 -2.35 117.51 120.24 1rkw h ILE 159 Ca -0.01 -1.75 -0.04 0.00 -0.39 0.00 0.00 64.86 62.67 1rkw h ILE 159 Cb 1.03 2.30 0.01 0.00 -3.07 0.00 0.00 36.82 37.09 1rkw h ILE 159 CO 0.00 0.51 -0.37 0.58 -0.69 0.00 0.00 178.15 178.18 1rkw h VAL 160 N -0.10 0.00 0.00 1.67 2.07 -1.27 -2.91 116.25 115.71 1rkw h VAL 160 Ca -0.02 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1rkw h VAL 160 Cb 1.01 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1rkw h VAL 160 CO 0.07 0.00 0.00 1.07 0.02 0.00 0.00 177.57 178.73 1rkw n THR 161 N -4.88 0.48 -1.03 2.57 5.66 -0.56 -2.97 114.28 113.55 1rkw n THR 161 Ca -0.13 0.12 0.10 0.00 -3.05 0.00 0.00 64.05 61.09 1rkw n THR 161 Cb 0.41 -0.82 0.16 0.00 -1.55 0.00 0.00 70.33 68.53 1rkw n THR 161 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1rkw n PHE 162 N -1.30 0.18 -0.86 1.09 3.01 -0.88 -4.35 117.46 114.35 1rkw n PHE 162 Ca 0.08 -0.97 0.00 0.00 1.01 0.00 0.00 57.45 57.58 1rkw n PHE 162 Cb 0.15 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1rkw n PHE 162 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1rkw n THR 163 N -1.24 0.06 0.00 4.37 -2.24 -1.10 -4.91 114.28 109.22 1rkw n THR 163 Ca 0.17 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1rkw n THR 163 Cb 0.68 1.46 0.00 0.00 -2.10 0.00 0.00 70.33 70.37 1rkw n THR 163 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1rkw n HIS 164 N -0.03 0.00 0.13 4.78 -0.00 -1.16 -0.38 115.22 118.57 1rkw n HIS 164 Ca 0.00 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.21 1rkw n HIS 164 Cb 0.32 -0.13 -0.04 0.00 -0.12 0.00 0.00 29.99 30.02 1rkw n HIS 164 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1rkw n GLU 165 N -1.12 2.86 -0.79 1.57 4.07 -1.26 -5.00 120.64 120.96 1rkw n GLU 165 Ca 0.00 -0.02 -0.29 0.00 -0.06 0.00 0.00 57.16 56.79 1rkw n GLU 165 Cb 0.35 -0.93 0.24 0.00 -0.06 0.00 0.00 31.44 31.04 1rkw n GLU 165 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1rkw s GLN 166 N -1.92 -0.94 0.20 5.31 -0.21 0.49 -4.96 119.66 117.63 1rkw s GLN 166 Ca 0.00 0.46 -0.27 0.00 0.02 0.00 0.00 55.36 55.58 1rkw s GLN 166 Cb 0.04 -1.58 -0.08 0.00 1.00 0.00 0.00 33.01 32.38 1rkw s GLN 166 CO 0.23 -3.64 0.84 1.21 -2.12 0.00 0.00 175.29 171.80 1rkw s ASN 167 N -3.12 7.46 0.49 5.90 2.47 -1.26 -4.91 114.94 121.97 1rkw s ASN 167 Ca 0.68 1.75 0.31 0.00 0.42 0.00 0.00 52.86 56.02 1rkw s ASN 167 Cb -0.19 -2.54 1.41 0.00 -1.45 0.00 0.00 41.25 38.48 1rkw s ASN 167 CO 0.60 0.17 1.78 -0.29 -3.72 0.00 0.00 177.10 175.63 1rkw h ILE 168 N 3.18 0.41 0.02 -5.21 6.09 -1.95 -1.17 117.51 118.89 1rkw h ILE 168 Ca -0.46 -0.04 -0.21 0.00 -1.37 0.00 0.00 64.86 62.77 1rkw h ILE 168 Cb 1.20 0.27 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 1rkw h ILE 168 CO 0.67 0.02 -0.96 -1.13 -3.07 0.00 0.00 178.15 173.68 1rkw h ASN 169 N 0.13 0.25 0.60 2.19 -1.24 -1.99 -2.19 115.58 113.33 1rkw h ASN 169 Ca 0.60 -0.22 -0.24 0.00 0.71 0.00 0.00 56.30 57.15 1rkw h ASN 169 Cb 2.09 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 41.06 1rkw h ASN 169 CO -0.13 1.07 -1.06 -0.08 -1.29 0.00 0.00 177.43 175.94 1rkw h GLU 170 N 0.09 0.25 -0.18 6.67 4.22 -1.65 -2.46 114.58 121.51 1rkw h GLU 170 Ca -0.06 -0.34 0.03 0.00 0.08 0.00 0.00 59.36 59.07 1rkw h GLU 170 Cb 1.62 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.96 1rkw h GLU 170 CO 0.15 1.11 -0.03 0.00 -2.18 0.00 0.00 179.01 178.05 1rkw h ARG 171 N 0.10 0.02 -0.11 1.92 3.08 -1.27 0.78 114.38 118.91 1rkw h ARG 171 Ca -0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1rkw h ARG 171 Cb 1.75 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.79 1rkw h ARG 171 CO 0.17 0.02 0.07 0.82 -1.07 0.00 0.00 179.97 179.98 1rkw h ILE 172 N 0.02 1.02 0.06 2.04 2.04 -1.38 -0.02 117.51 121.29 1rkw h ILE 172 Ca 0.09 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1rkw h ILE 172 Cb 0.12 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1rkw h ILE 172 CO -0.17 0.02 -0.03 0.50 0.00 0.00 0.00 178.15 178.48 1rkw h LYS 173 N 0.13 -0.08 -0.35 2.37 3.64 -0.56 -1.80 116.57 119.92 1rkw h LYS 173 Ca 0.04 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1rkw h LYS 173 Cb 0.01 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1rkw h LYS 173 CO -0.01 0.33 0.16 -0.07 -2.27 0.00 0.00 179.45 177.58 1rkw h LEU 174 N -0.50 0.21 -1.36 5.20 3.38 -0.34 -2.28 115.31 119.62 1rkw h LEU 174 Ca -0.01 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1rkw h LEU 174 Cb 0.44 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1rkw h LEU 174 CO 0.01 0.16 0.47 -0.03 0.09 0.00 0.00 178.44 179.14 1rkw h MET 175 N 0.33 0.78 -0.13 1.13 4.05 -0.97 -0.19 114.93 119.93 1rkw h MET 175 Ca 0.15 -0.05 -0.20 0.00 -0.28 0.00 0.00 59.70 59.33 1rkw h MET 175 Cb 0.09 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1rkw h MET 175 CO -0.13 0.52 -0.73 -0.91 0.23 0.00 0.00 176.91 175.89 1rkw h ASN 176 N 0.80 0.72 -0.00 1.39 2.35 -0.95 -0.10 115.58 119.79 1rkw h ASN 176 Ca 0.29 -0.46 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1rkw h ASN 176 Cb 0.15 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1rkw h ASN 176 CO -0.09 1.23 0.00 0.50 -1.65 0.00 0.00 177.43 177.42 1rkw h LYS 177 N 0.43 0.00 -0.61 0.81 1.63 -0.86 -0.65 116.57 117.32 1rkw h LYS 177 Ca -0.03 -0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.87 1rkw h LYS 177 Cb 1.33 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.88 1rkw h LYS 177 CO 0.14 0.10 0.20 0.35 -3.45 0.00 0.00 179.45 176.79 1rkw h PHE 178 N -0.09 0.35 0.00 1.91 3.57 -0.90 0.18 116.94 121.96 1rkw h PHE 178 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1rkw h PHE 178 Cb 0.10 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1rkw h PHE 178 CO -0.04 0.06 -0.21 0.77 -2.23 0.00 0.00 178.31 176.66 1rkw h SER 179 N 0.37 0.00 0.31 0.41 0.02 -0.53 -0.75 113.55 113.38 1rkw h SER 179 Ca 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1rkw h SER 179 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1rkw h SER 179 CO -0.34 0.21 -0.15 -0.61 -1.14 0.00 0.00 176.83 174.80 1rkw h GLN 180 N 0.00 -0.41 -0.79 3.45 4.15 0.69 -1.13 115.11 121.06 1rkw h GLN 180 Ca -0.00 0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.61 1rkw h GLN 180 Cb 0.46 0.09 -0.11 0.00 0.21 0.00 0.00 27.48 28.14 1rkw h GLN 180 CO 0.03 -0.27 0.31 0.82 -1.93 0.00 0.00 178.83 177.78 1rkw h ILE 181 N -1.09 0.58 0.07 2.39 2.04 -0.69 0.20 117.51 121.01 1rkw h ILE 181 Ca -0.04 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1rkw h ILE 181 Cb 0.32 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1rkw h ILE 181 CO 0.07 0.07 -0.03 0.15 0.00 0.00 0.00 178.15 178.41 1rkw h PHE 182 N 0.41 -0.09 -0.19 1.37 3.04 -1.19 -1.76 116.94 118.53 1rkw h PHE 182 Ca 0.45 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.39 1rkw h PHE 182 Cb 0.76 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 1rkw h PHE 182 CO -0.18 0.23 0.07 1.25 -2.02 0.00 0.00 178.31 177.67 1rkw h LEU 183 N -0.41 0.23 -0.07 0.59 5.85 -0.63 -2.12 115.31 118.75 1rkw h LEU 183 Ca -0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1rkw h LEU 183 Cb 0.36 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1rkw h LEU 183 CO 0.02 0.21 0.03 -1.13 -0.34 0.00 0.00 178.44 177.23 1rkw h ASN 184 N 0.26 0.09 0.00 1.25 -0.00 -0.22 -2.89 115.58 114.07 1rkw h ASN 184 Ca 0.07 -0.15 0.00 0.00 -0.00 0.00 0.00 56.30 56.21 1rkw h ASN 184 Cb 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.36 1rkw h ASN 184 CO -0.01 0.22 0.07 0.61 -0.00 0.00 0.00 177.43 178.32 1rkw n GLY 185 N -0.69 -0.21 3.51 1.57 0.00 -0.70 -4.34 105.19 104.33 1rkw n GLY 185 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1rkw n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rkw s LEU 186 N -2.30 4.27 0.00 0.99 1.43 -1.09 -5.11 118.68 116.86 1rkw s LEU 186 Ca 0.00 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1rkw s LEU 186 Cb 0.00 -2.09 0.47 0.00 0.03 0.00 0.00 46.19 44.60 1rkw s LEU 186 CO 0.00 -0.18 0.93 -0.24 0.23 0.00 0.00 176.35 177.09