#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 0.79 -0.07 1.20 5.85 -1.98 0.96 115.31 122.06 1rkw h LEU 3 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1rkw h LEU 3 Cb 0.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1rkw h LEU 3 CO 0.00 0.43 0.02 0.50 -0.34 0.00 0.00 178.44 179.05 1rkw h LYS 4 N 0.88 0.06 0.00 1.25 3.64 -1.98 0.21 116.57 120.63 1rkw h LYS 4 Ca 0.45 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.77 1rkw h LYS 4 Cb 0.44 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1rkw h LYS 4 CO -0.26 0.04 -0.26 -0.44 -2.27 0.00 0.00 179.45 176.26 1rkw h ASP 5 N 0.06 0.00 -0.11 4.20 3.32 -1.51 -1.41 116.42 120.96 1rkw h ASP 5 Ca 0.03 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 1rkw h ASP 5 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1rkw h ASP 5 CO -0.03 0.26 -0.47 0.50 -1.72 0.00 0.00 179.24 177.78 1rkw h LYS 6 N 0.00 0.67 -0.32 3.56 1.63 0.14 -0.64 116.57 121.60 1rkw h LYS 6 Ca -0.00 -0.38 -0.04 0.00 -0.85 0.00 0.00 60.65 59.38 1rkw h LYS 6 Cb 0.49 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1rkw h LYS 6 CO 0.03 0.99 0.06 0.82 -3.45 0.00 0.00 179.45 177.91 1rkw h ILE 7 N 0.54 1.23 -0.27 2.00 2.04 -0.36 -0.15 117.51 122.54 1rkw h ILE 7 Ca 0.03 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1rkw h ILE 7 Cb 1.01 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1rkw h ILE 7 CO 0.10 0.26 0.15 -0.07 0.00 0.00 0.00 178.15 178.59 1rkw h LEU 8 N 0.36 0.23 -0.33 1.44 3.38 -1.05 0.06 115.31 119.40 1rkw h LEU 8 Ca 0.10 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1rkw h LEU 8 Cb 0.33 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1rkw h LEU 8 CO 0.00 0.17 0.08 1.23 0.09 0.00 0.00 178.44 180.01 1rkw h GLY 9 N 0.30 0.58 0.91 0.83 0.00 -1.04 0.16 103.07 104.81 1rkw h GLY 9 Ca 0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1rkw h GLY 9 CO -0.06 0.34 0.10 -2.08 0.00 0.00 0.00 176.54 174.84 1rkw h VAL 10 N 0.38 1.21 -0.43 4.60 2.07 -0.88 -2.40 116.25 120.81 1rkw h VAL 10 Ca 0.10 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1rkw h VAL 10 Cb 0.31 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1rkw h VAL 10 CO 0.00 0.23 0.27 0.00 0.02 0.00 0.00 177.57 178.09 1rkw h ALA 11 N 0.94 0.54 -0.68 1.67 0.00 -0.91 -0.14 119.26 120.68 1rkw h ALA 11 Ca 0.11 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1rkw h ALA 11 Cb 0.25 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1rkw h ALA 11 CO -0.00 -0.04 0.31 -0.22 0.00 0.00 0.00 179.25 179.30 1rkw h LYS 12 N 0.55 0.52 -0.53 0.00 3.64 -0.81 0.21 116.57 120.15 1rkw h LYS 12 Ca 0.16 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1rkw h LYS 12 Cb -0.03 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1rkw h LYS 12 CO -0.05 0.34 0.15 0.93 -2.27 0.00 0.00 179.45 178.55 1rkw h GLU 13 N 0.53 0.83 -0.55 1.90 4.39 -0.86 -1.17 114.58 119.64 1rkw h GLU 13 Ca 0.34 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 1rkw h GLU 13 Cb 0.39 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1rkw h GLU 13 CO -0.29 0.77 0.21 -0.07 -1.16 0.00 0.00 179.01 178.47 1rkw h LEU 14 N 0.73 0.77 -0.85 1.33 3.38 -0.15 0.15 115.31 120.67 1rkw h LEU 14 Ca 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1rkw h LEU 14 Cb 0.30 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1rkw h LEU 14 CO -0.00 0.74 0.51 -0.26 0.09 0.00 0.00 178.44 179.51 1rkw h PHE 15 N 0.76 1.13 -0.18 1.13 0.05 -0.38 0.25 116.94 119.70 1rkw h PHE 15 Ca 0.18 -0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.94 1rkw h PHE 15 Cb 0.22 -0.37 -0.01 0.00 2.00 0.00 0.00 35.95 37.79 1rkw h PHE 15 CO 0.01 0.76 0.02 0.82 -0.18 0.00 0.00 178.31 179.73 1rkw h ILE 16 N 1.17 1.24 0.04 -0.55 2.04 -0.74 1.32 117.51 122.02 1rkw h ILE 16 Ca 0.30 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1rkw h ILE 16 Cb -0.04 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1rkw h ILE 16 CO -0.06 0.24 -0.02 0.50 0.00 0.00 0.00 178.15 178.81 1rkw h LYS 17 N 0.08 -0.05 -0.01 2.37 3.64 -0.26 -3.37 116.57 118.96 1rkw h LYS 17 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1rkw h LYS 17 Cb 0.34 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1rkw h LYS 17 CO 0.01 0.19 -0.11 0.09 -2.27 0.00 0.00 179.45 177.36 1rkw n ASN 18 N -5.00 1.58 -0.04 4.20 3.02 0.85 -5.10 115.26 114.77 1rkw n ASN 18 Ca -0.08 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 1rkw n ASN 18 Cb 0.15 0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1rkw n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rkw n GLY 19 N 0.77 -1.79 0.20 7.41 0.00 0.45 -4.36 105.19 107.88 1rkw n GLY 19 Ca 0.05 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.03 -0.46 -0.88 1.61 3.20 -1.81 -3.06 116.97 115.52 1rkw h TYR 20 Ca -0.00 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.08 1rkw h TYR 20 Cb 0.03 0.15 -0.13 0.00 1.54 0.00 0.00 36.73 38.33 1rkw h TYR 20 CO -0.02 -0.29 0.36 -0.91 -1.64 0.00 0.00 178.16 175.66 1rkw h ASN 21 N -0.56 0.26 1.85 -2.11 2.35 -1.94 -2.08 115.58 113.34 1rkw h ASN 21 Ca -0.05 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1rkw h ASN 21 Cb 0.38 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1rkw h ASN 21 CO 0.08 -0.03 -0.02 0.00 -1.65 0.00 0.00 177.43 175.81 1rkw h ALA 22 N 1.72 0.99 -2.39 -0.83 0.00 -1.76 -3.44 119.26 113.54 1rkw h ALA 22 Ca 0.55 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.92 1rkw h ALA 22 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1rkw h ALA 22 CO -0.55 0.00 0.42 0.99 0.00 0.00 0.00 179.25 180.11 1rkw s THR 23 N -3.18 4.79 0.13 0.00 2.01 -0.78 -5.04 115.64 113.56 1rkw s THR 23 Ca 0.08 2.01 0.08 0.00 0.31 0.00 0.00 61.69 64.17 1rkw s THR 23 Cb 0.07 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1rkw s THR 23 CO 0.65 0.13 -0.11 0.42 -0.69 0.00 0.00 174.62 175.02 1rkw s THR 24 N 1.18 3.22 0.48 -0.82 -4.23 -1.26 -4.98 115.64 109.23 1rkw s THR 24 Ca 0.52 -1.45 0.23 0.00 -1.18 0.00 0.00 61.69 59.81 1rkw s THR 24 Cb -0.21 -2.53 0.27 0.00 1.34 0.00 0.00 72.50 71.37 1rkw s THR 24 CO 0.27 0.03 2.10 0.71 -0.54 0.00 0.00 174.62 177.19 1rkw h THR 25 N 3.12 0.78 -0.44 3.99 1.35 -1.98 -0.33 112.91 119.39 1rkw h THR 25 Ca -0.48 -0.37 -0.05 0.00 -0.55 0.00 0.00 66.41 64.96 1rkw h THR 25 Cb 1.18 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 1rkw h THR 25 CO 0.52 0.09 0.07 1.23 -0.25 0.00 0.00 175.52 177.18 1rkw h GLY 26 N 0.44 0.79 0.90 5.82 0.00 -1.99 0.68 103.07 109.72 1rkw h GLY 26 Ca -0.00 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1rkw h GLY 26 CO 0.01 0.49 -0.03 0.83 0.00 0.00 0.00 176.54 177.85 1rkw h GLU 27 N 0.60 -0.04 -0.93 4.80 5.08 -1.51 -2.08 114.58 120.51 1rkw h GLU 27 Ca 0.13 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1rkw h GLU 27 Cb 0.39 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1rkw h GLU 27 CO 0.01 -0.02 0.60 0.82 -1.00 0.00 0.00 179.01 179.41 1rkw h ILE 28 N -0.04 1.13 0.29 3.13 2.04 -0.80 -1.29 117.51 121.98 1rkw h ILE 28 Ca 0.02 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1rkw h ILE 28 Cb 0.07 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 1rkw h ILE 28 CO -0.05 0.21 -0.14 0.58 0.00 0.00 0.00 178.15 178.75 1rkw h VAL 29 N 1.14 0.73 -0.34 1.67 2.07 0.81 -2.66 116.25 119.67 1rkw h VAL 29 Ca 0.38 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.74 1rkw h VAL 29 Cb 0.05 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1rkw h VAL 29 CO -0.13 0.02 0.04 0.50 0.02 0.00 0.00 177.57 178.02 1rkw h LYS 30 N -0.45 0.58 0.00 1.57 3.11 -1.24 -0.60 116.57 119.54 1rkw h LYS 30 Ca -0.04 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 1rkw h LYS 30 Cb 0.34 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1rkw h LYS 30 CO 0.07 0.68 0.00 -0.07 -2.81 0.00 0.00 179.45 177.31 1rkw h LEU 31 N 0.40 0.00 -1.94 5.20 3.38 -1.24 -1.75 115.31 119.36 1rkw h LEU 31 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rkw h LEU 31 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1rkw h LEU 31 CO 0.01 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.00 1rkw n SER 32 N -2.67 2.59 -3.58 -0.43 3.41 -1.00 -4.97 113.62 106.96 1rkw n SER 32 Ca 0.00 -1.75 -0.20 0.00 -0.26 0.00 0.00 58.87 56.66 1rkw n SER 32 Cb 0.19 -0.09 0.07 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.91 -6.21 0.00 4.33 1.02 -0.66 -4.87 120.64 115.16 1rkw n GLU 33 Ca 0.11 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1rkw n GLU 33 Cb 0.42 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.22 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 -3.07 0.00 -3.54 1.62 2.88 -0.30 -5.04 113.62 106.17 1rkw n SER 34 Ca -0.22 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.21 1rkw n SER 34 Cb 0.64 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.07 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 0.59 -0.39 0.25 -3.46 1.04 -1.26 -4.80 113.70 105.67 1rkw s SER 35 Ca 0.00 -0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 1rkw s SER 35 Cb 0.00 0.53 0.37 0.00 0.10 0.00 0.00 66.02 67.02 1rkw s SER 35 CO 0.00 -0.91 1.86 0.11 0.98 0.00 0.00 173.24 175.29 1rkw h LYS 36 N 2.20 1.01 -0.34 4.02 1.57 -1.95 -0.79 116.57 122.30 1rkw h LYS 36 Ca -0.34 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1rkw h LYS 36 Cb 1.28 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1rkw h LYS 36 CO 0.43 0.67 0.20 0.78 -0.57 0.00 0.00 179.45 180.96 1rkw h GLY 37 N 1.04 0.49 1.20 3.86 0.00 -1.98 0.39 103.07 108.08 1rkw h GLY 37 Ca 0.40 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.43 1rkw h GLY 37 CO -0.18 0.20 -0.01 -0.57 0.00 0.00 0.00 176.54 175.99 1rkw h ASN 38 N 0.43 0.93 -0.46 0.19 -0.00 -1.81 0.56 115.58 115.42 1rkw h ASN 38 Ca 0.12 -0.26 -0.13 0.00 -0.00 0.00 0.00 56.30 56.04 1rkw h ASN 38 Cb 0.02 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.08 1rkw h ASN 38 CO -0.02 1.00 -0.19 0.25 -0.00 0.00 0.00 177.43 178.46 1rkw h LEU 39 N 0.88 0.99 -0.14 0.34 6.46 -0.78 -1.30 115.31 121.75 1rkw h LEU 39 Ca 0.16 -0.36 0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1rkw h LEU 39 Cb 0.53 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1rkw h LEU 39 CO 0.03 1.15 0.07 0.22 -0.62 0.00 0.00 178.44 179.29 1rkw h TYR 40 N 0.84 0.14 -0.75 1.25 3.20 0.05 -0.16 116.97 121.55 1rkw h TYR 40 Ca 0.12 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1rkw h TYR 40 Cb 0.76 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 1rkw h TYR 40 CO 0.05 0.08 0.50 -0.92 -1.64 0.00 0.00 178.16 176.23 1rkw h TYR 41 N 0.16 0.93 0.05 -3.82 3.20 -0.62 0.34 116.97 117.21 1rkw h TYR 41 Ca 0.06 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.67 1rkw h TYR 41 Cb 0.00 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 1rkw h TYR 41 CO -0.09 0.58 -1.46 0.45 -1.64 0.00 0.00 178.16 176.01 1rkw h HIS 42 N 1.00 0.20 0.00 -3.82 3.86 -0.94 -3.42 115.15 112.02 1rkw h HIS 42 Ca 0.28 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1rkw h HIS 42 Cb -0.09 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1rkw h HIS 42 CO -0.00 1.18 0.00 1.19 0.86 0.00 0.00 177.93 181.16 1rkw n PHE 43 N -3.31 0.00 0.00 2.45 3.01 -0.10 -5.03 117.46 114.49 1rkw n PHE 43 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1rkw n PHE 43 Cb 1.02 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.49 1rkw n PHE 43 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1rkw n LYS 44 N -0.39 0.00 -4.06 -1.08 4.01 0.12 -4.38 118.16 112.38 1rkw n LYS 44 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.70 1rkw n LYS 44 Cb 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.43 1rkw n LYS 44 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1rkw s THR 45 N 0.00 0.09 0.22 -0.18 -4.23 -1.26 -4.78 115.64 105.50 1rkw s THR 45 Ca 0.00 -1.68 -0.09 0.00 -1.18 0.00 0.00 61.69 58.74 1rkw s THR 45 Cb 0.00 -1.94 0.16 0.00 1.34 0.00 0.00 72.50 72.06 1rkw s THR 45 CO 0.00 -0.41 1.83 0.50 -0.54 0.00 0.00 174.62 176.00 1rkw h LYS 46 N 2.74 0.78 -0.57 3.99 3.64 -1.98 0.32 116.57 125.49 1rkw h LYS 46 Ca -0.34 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1rkw h LYS 46 Cb 1.21 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1rkw h LYS 46 CO 0.55 0.51 0.36 0.93 -2.27 0.00 0.00 179.45 179.53 1rkw h GLU 47 N 0.80 0.71 -0.42 1.90 3.07 -1.95 0.27 114.58 118.95 1rkw h GLU 47 Ca 0.31 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.07 1rkw h GLU 47 Cb 0.13 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1rkw h GLU 47 CO -0.16 0.47 0.06 -0.91 -1.40 0.00 0.00 179.01 177.07 1rkw h ASN 48 N 0.73 0.67 -0.30 1.42 4.21 -1.48 -1.08 115.58 119.75 1rkw h ASN 48 Ca 0.22 -0.27 0.06 0.00 1.21 0.00 0.00 56.30 57.52 1rkw h ASN 48 Cb -0.03 -0.18 -0.05 0.00 -1.12 0.00 0.00 38.32 36.93 1rkw h ASN 48 CO -0.07 0.77 -0.05 0.25 -1.29 0.00 0.00 177.43 177.04 1rkw h LEU 49 N 0.55 -0.23 -1.33 1.61 6.46 0.34 0.06 115.31 122.77 1rkw h LEU 49 Ca 0.13 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1rkw h LEU 49 Cb 0.39 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1rkw h LEU 49 CO 0.01 -0.08 0.44 0.15 -0.62 0.00 0.00 178.44 178.34 1rkw h PHE 50 N 0.03 0.85 -0.23 1.25 3.04 -0.23 -0.97 116.94 120.67 1rkw h PHE 50 Ca 0.14 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 62.00 1rkw h PHE 50 Cb 0.21 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 1rkw h PHE 50 CO -0.26 0.54 -0.34 -0.07 -2.02 0.00 0.00 178.31 176.16 1rkw h LEU 51 N 0.91 0.50 -0.49 0.59 3.38 -0.35 0.22 115.31 120.07 1rkw h LEU 51 Ca 0.24 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1rkw h LEU 51 Cb -0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1rkw h LEU 51 CO -0.05 0.80 0.03 -0.08 0.09 0.00 0.00 178.44 179.23 1rkw h GLU 52 N 0.41 0.85 0.09 1.13 4.57 -0.20 -0.29 114.58 121.14 1rkw h GLU 52 Ca 0.05 -0.26 0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1rkw h GLU 52 Cb 0.79 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1rkw h GLU 52 CO 0.06 0.87 -0.15 0.82 -1.18 0.00 0.00 179.01 179.44 1rkw h ILE 53 N 0.71 0.65 -0.93 2.32 2.04 -0.77 -1.55 117.51 119.98 1rkw h ILE 53 Ca 0.14 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.13 1rkw h ILE 53 Cb 0.48 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 1rkw h ILE 53 CO 0.02 0.00 0.60 -0.07 0.00 0.00 0.00 178.15 178.70 1rkw h LEU 54 N -0.30 0.77 -0.73 1.44 4.07 -0.60 0.36 115.31 120.32 1rkw h LEU 54 Ca 0.02 0.04 -0.07 0.00 0.08 0.00 0.00 57.88 57.95 1rkw h LEU 54 Cb 0.31 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 1rkw h LEU 54 CO -0.08 0.40 0.13 0.78 -1.08 0.00 0.00 178.44 178.59 1rkw h ASN 55 N 0.83 1.05 -0.48 -0.43 4.21 -0.30 0.41 115.58 120.87 1rkw h ASN 55 Ca 0.46 -0.24 -0.02 0.00 1.21 0.00 0.00 56.30 57.72 1rkw h ASN 55 Cb 0.60 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.50 1rkw h ASN 55 CO -0.23 1.03 0.23 0.40 -1.29 0.00 0.00 177.43 177.57 1rkw h ILE 56 N 1.04 1.19 -0.59 2.81 1.08 -0.22 -0.96 117.51 121.85 1rkw h ILE 56 Ca 0.21 -0.53 0.04 0.00 -0.39 0.00 0.00 64.86 64.19 1rkw h ILE 56 Cb 0.41 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.78 1rkw h ILE 56 CO 0.01 0.21 0.34 -0.33 -0.69 0.00 0.00 178.15 177.68 1rkw h GLU 57 N 0.63 0.63 -0.19 2.37 4.39 -0.59 -0.42 114.58 121.39 1rkw h GLU 57 Ca 0.16 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.84 1rkw h GLU 57 Cb 0.12 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1rkw h GLU 57 CO -0.02 0.42 0.06 1.49 -1.16 0.00 0.00 179.01 179.80 1rkw h GLU 58 N 0.65 0.15 -0.38 2.33 4.57 -0.45 0.98 114.58 122.43 1rkw h GLU 58 Ca 0.25 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.48 1rkw h GLU 58 Cb 0.09 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 1rkw h GLU 58 CO -0.13 0.10 0.06 0.77 -1.18 0.00 0.00 179.01 178.63 1rkw h SER 59 N 0.15 -0.02 -0.77 1.04 0.02 -0.39 0.50 113.55 114.08 1rkw h SER 59 Ca 0.08 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1rkw h SER 59 Cb 0.05 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 1rkw h SER 59 CO -0.08 0.03 0.45 0.11 -1.14 0.00 0.00 176.83 176.19 1rkw h LYS 60 N 0.18 0.77 -0.62 3.45 1.57 -0.60 0.10 116.57 121.43 1rkw h LYS 60 Ca 0.18 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1rkw h LYS 60 Cb 0.22 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1rkw h LYS 60 CO -0.25 0.51 0.15 2.35 -0.57 0.00 0.00 179.45 181.63 1rkw h TRP 61 N 0.79 1.04 0.23 -1.35 2.91 0.12 -1.33 115.95 118.37 1rkw h TRP 61 Ca 0.35 -0.13 -0.00 0.00 1.13 0.00 0.00 58.89 60.25 1rkw h TRP 61 Cb 0.25 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.60 1rkw h TRP 61 CO -0.06 0.87 -0.19 1.96 -1.03 0.00 0.00 178.44 180.00 1rkw h GLN 62 N 0.90 -0.41 -0.98 2.65 4.20 0.13 -1.51 115.11 120.10 1rkw h GLN 62 Ca 0.19 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.03 1rkw h GLN 62 Cb 0.36 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.16 1rkw h GLN 62 CO 0.00 -0.28 0.61 1.49 -0.67 0.00 0.00 178.83 179.99 1rkw h GLU 63 N -0.43 0.98 -0.53 1.46 4.22 -0.71 0.27 114.58 119.84 1rkw h GLU 63 Ca -0.01 -0.06 -0.07 0.00 0.08 0.00 0.00 59.36 59.29 1rkw h GLU 63 Cb 0.38 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1rkw h GLU 63 CO -0.01 0.65 0.03 0.37 -2.18 0.00 0.00 179.01 177.86 1rkw h GLN 64 N 1.01 0.88 -0.60 1.92 4.15 -0.90 -2.71 115.11 118.86 1rkw h GLN 64 Ca 0.47 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.59 1rkw h GLN 64 Cb 0.39 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1rkw h GLN 64 CO -0.24 0.85 0.11 2.35 -1.93 0.00 0.00 178.83 179.98 1rkw h TRP 65 N 0.82 1.05 -0.80 3.99 -0.00 0.02 -1.43 115.95 119.59 1rkw h TRP 65 Ca 0.16 -0.14 0.14 0.00 -0.00 0.00 0.00 58.89 59.05 1rkw h TRP 65 Cb 0.45 -0.29 -0.09 0.00 -0.00 0.00 0.00 29.16 29.23 1rkw h TRP 65 CO 0.03 0.90 0.38 -0.22 -0.00 0.00 0.00 178.44 179.52 1rkw h LYS 66 N 0.90 0.55 0.09 2.65 3.64 -0.75 0.80 116.57 124.45 1rkw h LYS 66 Ca 0.19 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.29 1rkw h LYS 66 Cb 0.40 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1rkw h LYS 66 CO 0.01 0.36 -0.99 0.87 -2.27 0.00 0.00 179.45 177.43 1rkw h LYS 67 N 0.57 0.51 0.00 1.90 1.57 -1.19 -3.32 116.57 116.61 1rkw h LYS 67 Ca 0.43 -0.67 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1rkw h LYS 67 Cb 0.59 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1rkw h LYS 67 CO -0.36 1.29 -0.37 1.49 -0.57 0.00 0.00 179.45 180.93 1rkw h GLU 68 N 0.06 0.00 0.00 3.15 4.57 -0.96 -3.22 114.58 118.18 1rkw h GLU 68 Ca -0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1rkw h GLU 68 Cb 1.71 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.30 1rkw h GLU 68 CO 0.19 0.37 0.00 0.00 -1.18 0.00 0.00 179.01 178.39 1rkw n GLN 69 N -3.64 0.30 0.14 1.92 10.64 0.25 -2.02 117.38 124.96 1rkw n GLN 69 Ca -0.01 0.10 0.13 0.00 -1.83 0.00 0.00 57.00 55.39 1rkw n GLN 69 Cb 0.47 -1.50 0.43 0.00 -0.86 0.00 0.00 30.24 28.78 1rkw n GLN 69 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1rkw h ILE 70 N 0.00 0.00 0.00 -0.39 1.08 -1.74 -2.07 117.51 114.39 1rkw h ILE 70 Ca 0.00 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1rkw h ILE 70 Cb 0.17 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1rkw h ILE 70 CO 0.00 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 177.75 1rkw n LYS 71 N -2.41 0.77 -3.57 2.37 5.02 -0.85 -4.43 118.16 115.06 1rkw n LYS 71 Ca 0.04 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 1rkw n LYS 71 Cb 0.37 -1.24 -0.15 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.00 0.83 0.12 7.82 0.00 -0.78 -5.02 121.76 122.73 1rkw s ALA 72 Ca 0.18 -1.28 -0.25 0.00 0.00 0.00 0.00 51.96 50.61 1rkw s ALA 72 Cb 0.08 -1.46 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 1rkw s ALA 72 CO 0.14 -1.69 1.65 -0.22 0.00 0.00 0.00 175.76 175.63 1rkw h LYS 73 N 8.22 -0.33 -6.04 0.00 3.64 -1.81 -3.43 116.57 116.83 1rkw h LYS 73 Ca -0.17 0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 58.68 1rkw h LYS 73 Cb 1.01 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1rkw h LYS 73 CO 0.43 -0.22 -0.48 0.95 -2.27 0.00 0.00 179.45 177.87 1rkw s THR 74 N -6.09 5.29 0.36 1.00 -4.23 -1.26 -5.00 115.64 105.70 1rkw s THR 74 Ca -0.15 -0.66 0.26 0.00 -1.18 0.00 0.00 61.69 59.96 1rkw s THR 74 Cb 0.09 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.50 1rkw s THR 74 CO 0.66 -0.06 2.01 0.78 -0.54 0.00 0.00 174.62 177.48 1rkw h ASN 75 N 2.30 0.00 -0.48 3.99 2.35 -1.90 -0.48 115.58 121.35 1rkw h ASN 75 Ca -0.48 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.28 1rkw h ASN 75 Cb 1.19 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 1rkw h ASN 75 CO 0.69 0.15 0.31 -0.09 -1.65 0.00 0.00 177.43 176.85 1rkw h ARG 76 N 0.00 0.61 -0.24 0.81 2.43 -1.94 -0.77 114.38 115.27 1rkw h ARG 76 Ca -0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1rkw h ARG 76 Cb 0.43 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1rkw h ARG 76 CO 0.02 0.40 0.07 0.93 -1.51 0.00 0.00 179.97 179.88 1rkw h GLU 77 N 0.63 0.38 -0.68 0.20 5.08 -1.53 -2.27 114.58 116.39 1rkw h GLU 77 Ca 0.18 -0.09 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1rkw h GLU 77 Cb -0.05 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1rkw h GLU 77 CO -0.05 0.47 0.45 0.87 -1.00 0.00 0.00 179.01 179.75 1rkw h LYS 78 N 0.22 0.47 0.46 2.33 1.57 -0.88 0.19 116.57 120.92 1rkw h LYS 78 Ca 0.08 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1rkw h LYS 78 Cb 0.26 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1rkw h LYS 78 CO -0.00 0.31 -0.22 0.35 -0.57 0.00 0.00 179.45 179.32 1rkw h PHE 79 N 0.48 -0.58 -0.26 -1.35 3.57 -0.58 0.18 116.94 118.41 1rkw h PHE 79 Ca 0.32 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.87 1rkw h PHE 79 Cb 0.59 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.46 1rkw h PHE 79 CO -0.00 -0.26 -0.19 1.88 -2.23 0.00 0.00 178.31 177.50 1rkw h TYR 80 N -0.85 -0.50 -0.70 0.41 0.05 -1.01 -2.43 116.97 111.94 1rkw h TYR 80 Ca -0.06 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.77 1rkw h TYR 80 Cb 0.57 0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.53 1rkw h TYR 80 CO 0.00 -0.27 0.46 1.25 -1.05 0.00 0.00 178.16 178.55 1rkw h LEU 81 N -0.18 0.78 -0.72 3.88 5.85 -0.56 -1.67 115.31 122.69 1rkw h LEU 81 Ca 0.14 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1rkw h LEU 81 Cb 0.40 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1rkw h LEU 81 CO -0.37 0.56 0.27 0.22 -0.34 0.00 0.00 178.44 178.78 1rkw h TYR 82 N 0.92 1.11 -0.32 1.25 3.20 -0.34 -0.42 116.97 122.37 1rkw h TYR 82 Ca 0.26 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 1rkw h TYR 82 Cb -0.07 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.86 1rkw h TYR 82 CO -0.03 0.86 -0.15 -0.91 -1.64 0.00 0.00 178.16 176.29 1rkw h ASN 83 N 1.04 0.69 -0.26 -2.11 -0.26 -1.24 -1.96 115.58 111.49 1rkw h ASN 83 Ca 0.24 -0.40 -0.00 0.00 -0.56 0.00 0.00 56.30 55.57 1rkw h ASN 83 Cb 0.23 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1rkw h ASN 83 CO -0.02 0.94 0.15 -0.08 -1.06 0.00 0.00 177.43 177.37 1rkw h GLU 84 N 0.44 0.36 -0.81 0.81 4.81 -1.12 -2.24 114.58 116.84 1rkw h GLU 84 Ca 0.07 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.40 1rkw h GLU 84 Cb 0.67 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.89 1rkw h GLU 84 CO 0.05 0.30 0.41 -0.07 -0.73 0.00 0.00 179.01 178.96 1rkw h LEU 85 N 0.32 0.50 -0.75 1.64 -0.00 -0.97 0.30 115.31 116.35 1rkw h LEU 85 Ca 0.09 0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 57.97 1rkw h LEU 85 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 1rkw h LEU 85 CO -0.02 0.24 0.03 0.28 -0.00 0.00 0.00 178.44 178.97 1rkw h SER 86 N 0.62 0.95 0.03 -0.43 0.02 -0.95 0.55 113.55 114.34 1rkw h SER 86 Ca 0.43 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1rkw h SER 86 Cb 0.56 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1rkw h SER 86 CO -0.33 0.99 -0.01 0.25 -1.14 0.00 0.00 176.83 176.58 1rkw h LEU 87 N 0.91 -0.03 -0.30 5.07 6.46 -0.75 -2.47 115.31 124.20 1rkw h LEU 87 Ca 0.17 -0.54 -0.05 0.00 -0.12 0.00 0.00 57.88 57.34 1rkw h LEU 87 Cb 0.49 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1rkw h LEU 87 CO 0.02 0.53 -0.02 0.71 -0.62 0.00 0.00 178.44 179.06 1rkw h THR 88 N -0.61 1.27 0.00 1.05 1.35 -0.71 -2.61 112.91 112.65 1rkw h THR 88 Ca -0.00 -0.99 -0.06 0.00 -0.55 0.00 0.00 66.41 64.80 1rkw h THR 88 Cb 0.57 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1rkw h THR 88 CO 0.01 0.32 -0.30 0.71 -0.25 0.00 0.00 175.52 176.00 1rkw h THR 89 N 0.33 1.10 0.00 6.82 1.35 0.00 -2.47 112.91 120.04 1rkw h THR 89 Ca 0.08 -1.09 -0.02 0.00 -0.55 0.00 0.00 66.41 64.83 1rkw h THR 89 Cb 0.47 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1rkw h THR 89 CO 0.02 0.30 -0.12 1.05 -0.25 0.00 0.00 175.52 176.52 1rkw h GLU 90 N 0.00 0.00 -0.80 4.72 -0.00 -1.26 -2.83 114.58 114.41 1rkw h GLU 90 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 59.36 59.41 1rkw h GLU 90 Cb 0.58 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.28 1rkw h GLU 90 CO 0.04 0.12 0.52 -0.92 -0.00 0.00 0.00 179.01 178.77 1rkw h TYR 91 N 0.00 0.90 -0.41 2.06 3.20 -1.06 -2.96 116.97 118.71 1rkw h TYR 91 Ca -0.00 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.59 1rkw h TYR 91 Cb 0.84 -0.30 -0.23 0.00 1.54 0.00 0.00 36.73 38.58 1rkw h TYR 91 CO 0.00 0.49 -0.67 2.48 -1.64 0.00 0.00 178.16 178.82 1rkw n TYR 92 N -4.47 1.50 -3.35 -3.82 0.18 -1.09 -4.97 117.16 101.14 1rkw n TYR 92 Ca 0.11 -1.89 -0.43 0.00 1.88 0.00 0.00 57.90 57.58 1rkw n TYR 92 Cb 0.18 -0.30 -0.09 0.00 -0.38 0.00 0.00 39.34 38.75 1rkw n TYR 92 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1rkw s TYR 93 N -3.44 3.18 -0.38 -3.48 6.04 -1.11 -4.95 117.35 113.21 1rkw s TYR 93 Ca 0.45 -0.33 0.18 0.00 0.04 0.00 0.00 57.07 57.41 1rkw s TYR 93 Cb 0.39 -2.83 0.96 0.00 -1.04 0.00 0.00 41.96 39.44 1rkw s TYR 93 CO -0.01 -0.64 1.56 -2.30 -1.54 0.00 0.00 175.55 172.62 1rkw n PRO 94 N 5.53 0.12 0.05 4.97 -0.02 -1.26 -2.26 135.00 142.13 1rkw n PRO 94 Ca -0.08 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 1rkw n PRO 94 Cb 0.48 -1.87 0.13 0.00 -0.02 0.00 0.00 33.50 32.22 1rkw n PRO 94 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1rkw h LEU 95 N 0.00 0.00 -1.35 2.45 3.38 -1.94 -3.38 115.31 114.47 1rkw h LEU 95 Ca 0.00 -0.24 0.25 0.00 0.09 0.00 0.00 57.88 57.98 1rkw h LEU 95 Cb 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 1rkw h LEU 95 CO 0.00 0.12 0.66 -0.61 0.09 0.00 0.00 178.44 178.70 1rkw h GLN 96 N 0.00 0.41 -0.29 1.13 5.75 -1.83 0.34 115.11 120.63 1rkw h GLN 96 Ca 0.00 -0.02 -0.18 0.00 -0.15 0.00 0.00 58.65 58.29 1rkw h GLN 96 Cb 0.75 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 1rkw h GLN 96 CO 0.00 0.27 -0.53 -0.91 -2.65 0.00 0.00 178.83 175.01 1rkw h ASN 97 N 0.42 0.94 -0.51 -0.69 2.35 -1.82 0.20 115.58 116.48 1rkw h ASN 97 Ca 0.58 -0.50 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1rkw h ASN 97 Cb 1.43 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 1rkw h ASN 97 CO -0.29 1.29 0.08 0.00 -1.65 0.00 0.00 177.43 176.86 1rkw h ALA 98 N 0.73 0.67 -0.24 -0.83 0.00 -1.39 0.88 119.26 119.09 1rkw h ALA 98 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rkw h ALA 98 Cb 1.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1rkw h ALA 98 CO 0.12 0.41 0.14 0.82 0.00 0.00 0.00 179.25 180.74 1rkw h ILE 99 N 0.72 1.10 -0.09 0.00 2.04 -0.83 0.25 117.51 120.70 1rkw h ILE 99 Ca 0.15 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1rkw h ILE 99 Cb 0.40 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1rkw h ILE 99 CO 0.01 0.10 0.03 0.40 0.00 0.00 0.00 178.15 178.69 1rkw h ILE 100 N 0.29 0.98 -0.77 -0.67 1.08 -0.30 -0.13 117.51 117.99 1rkw h ILE 100 Ca 0.09 -0.03 0.05 0.00 -0.39 0.00 0.00 64.86 64.58 1rkw h ILE 100 Cb 0.04 0.89 -0.05 0.00 -3.07 0.00 0.00 36.82 34.64 1rkw h ILE 100 CO -0.02 0.01 0.51 -0.08 -0.69 0.00 0.00 178.15 177.89 1rkw h GLU 101 N 0.07 0.85 0.06 2.37 4.81 -0.60 -2.50 114.58 119.64 1rkw h GLU 101 Ca 0.04 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1rkw h GLU 101 Cb 0.02 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1rkw h GLU 101 CO -0.04 0.56 -0.03 0.35 -0.73 0.00 0.00 179.01 179.12 1rkw h PHE 102 N 0.88 -0.07 0.34 0.92 3.04 0.39 -3.23 116.94 119.21 1rkw h PHE 102 Ca 0.32 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.26 1rkw h PHE 102 Cb 0.17 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1rkw h PHE 102 CO -0.00 0.47 -0.32 1.88 -2.02 0.00 0.00 178.31 178.32 1rkw h TYR 103 N -0.68 -0.89 0.00 0.41 -1.99 -0.94 -1.29 116.97 111.59 1rkw h TYR 103 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1rkw h TYR 103 Cb 0.58 0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.65 1rkw h TYR 103 CO 0.12 -0.43 0.00 0.25 -0.00 0.00 0.00 178.16 178.10 1rkw n THR 104 N -4.32 0.00 -0.24 -2.88 -2.24 -0.95 0.09 114.28 103.74 1rkw n THR 104 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1rkw n THR 104 Cb 0.30 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1rkw n THR 104 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1rkw n GLU 105 N -0.70 -0.50 0.00 -0.78 2.13 -0.55 -4.74 120.64 115.50 1rkw n GLU 105 Ca 0.00 -0.36 0.00 0.00 0.66 0.00 0.00 57.16 57.46 1rkw n GLU 105 Cb 0.00 -0.86 0.00 0.00 0.27 0.00 0.00 31.44 30.85 1rkw n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1rkw n TYR 106 N -0.03 0.00 1.23 4.31 4.01 0.11 -4.76 117.16 122.03 1rkw n TYR 106 Ca 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1rkw n TYR 106 Cb 0.06 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1rkw n TYR 106 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1rkw n TYR 107 N -0.00 0.00 -0.07 -0.72 0.18 -0.04 -2.15 117.16 114.35 1rkw n TYR 107 Ca 0.00 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.69 1rkw n TYR 107 Cb 0.33 -0.03 -0.09 0.00 -0.38 0.00 0.00 39.34 39.17 1rkw n TYR 107 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 1rkw n LYS 108 N -0.26 1.23 -2.21 -3.48 2.85 -1.26 -5.01 118.16 110.02 1rkw n LYS 108 Ca 0.00 0.04 -0.29 0.00 -1.05 0.00 0.00 58.31 57.01 1rkw n LYS 108 Cb 0.07 -1.32 0.01 0.00 -0.65 0.00 0.00 35.03 33.14 1rkw n LYS 108 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1rkw s THR 109 N -2.31 4.65 -0.19 0.58 2.01 -0.91 -5.01 115.64 114.45 1rkw s THR 109 Ca -0.13 0.53 0.12 0.00 0.31 0.00 0.00 61.69 62.52 1rkw s THR 109 Cb 0.05 -3.82 -0.20 0.00 0.01 0.00 0.00 72.50 68.54 1rkw s THR 109 CO 0.45 -0.95 -0.00 0.59 -0.69 0.00 0.00 174.62 174.01 1rkw n ASN 110 N -2.56 0.98 -0.03 3.53 3.02 -1.26 -2.86 115.26 116.08 1rkw n ASN 110 Ca 0.04 -0.03 -0.11 0.00 -0.03 0.00 0.00 54.58 54.45 1rkw n ASN 110 Cb 0.55 0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 40.29 1rkw n ASN 110 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1rkw h SER 111 N 0.00 -1.24 0.01 6.41 0.87 -1.95 -1.64 113.55 116.01 1rkw h SER 111 Ca -0.49 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1rkw h SER 111 Cb 2.03 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 64.51 1rkw h SER 111 CO 0.00 -0.40 -0.00 0.40 -0.53 0.00 0.00 176.83 176.30 1rkw h ILE 112 N -0.43 1.52 0.00 2.23 5.03 -1.88 -3.30 117.51 120.68 1rkw h ILE 112 Ca 0.10 -1.64 0.00 0.00 -0.12 0.00 0.00 64.86 63.20 1rkw h ILE 112 Cb 0.60 2.62 0.00 0.00 -3.03 0.00 0.00 36.82 37.01 1rkw h ILE 112 CO -0.42 0.42 0.29 -1.13 -0.68 0.00 0.00 178.15 176.63 1rkw h ASN 113 N -0.72 0.00 0.60 1.72 -0.00 -1.42 -2.47 115.58 113.29 1rkw h ASN 113 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 1rkw h ASN 113 Cb 0.70 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.02 1rkw h ASN 113 CO 0.00 0.00 -0.29 -0.08 -0.00 0.00 0.00 177.43 177.06 1rkw h GLU 114 N 0.00 -0.78 -0.72 6.67 4.22 -1.37 -3.30 114.58 119.31 1rkw h GLU 114 Ca 0.00 0.05 0.05 0.00 0.08 0.00 0.00 59.36 59.55 1rkw h GLU 114 Cb 0.58 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1rkw h GLU 114 CO 0.00 -0.52 0.47 0.87 -2.18 0.00 0.00 179.01 177.65 1rkw h LYS 115 N -1.06 0.76 -0.92 1.92 6.56 -1.63 -2.05 116.57 120.16 1rkw h LYS 115 Ca -0.08 -0.05 0.19 0.00 -1.06 0.00 0.00 60.65 59.65 1rkw h LYS 115 Cb 0.62 -0.17 -0.07 0.00 -0.57 0.00 0.00 32.23 32.03 1rkw h LYS 115 CO 0.14 0.51 0.59 0.52 -2.06 0.00 0.00 179.45 179.14 1rkw h MET 116 N 0.79 0.53 -0.01 3.15 2.86 -1.59 0.15 114.93 120.81 1rkw h MET 116 Ca 0.30 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.73 1rkw h MET 116 Cb 0.19 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1rkw h MET 116 CO -0.10 0.35 -0.81 -0.91 1.06 0.00 0.00 176.91 176.51 1rkw h ASN 117 N 0.54 0.17 -0.81 1.22 4.21 -1.44 0.85 115.58 120.31 1rkw h ASN 117 Ca 0.48 -0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.84 1rkw h ASN 117 Cb 1.01 -0.05 -0.04 0.00 -1.12 0.00 0.00 38.32 38.12 1rkw h ASN 117 CO -0.22 0.90 0.40 0.50 -1.29 0.00 0.00 177.43 177.72 1rkw h LYS 118 N 0.08 1.17 -0.01 0.81 3.11 -0.75 0.34 116.57 121.31 1rkw h LYS 118 Ca -0.03 -0.17 -0.00 0.00 -2.81 0.00 0.00 60.65 57.64 1rkw h LYS 118 Cb 1.41 -0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 32.42 1rkw h LYS 118 CO 0.12 0.89 -0.01 1.25 -2.81 0.00 0.00 179.45 178.89 1rkw h LEU 119 N 1.16 0.03 -1.38 5.20 5.85 -0.79 -2.46 115.31 122.93 1rkw h LEU 119 Ca 0.28 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1rkw h LEU 119 Cb 0.11 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1rkw h LEU 119 CO -0.04 0.48 0.36 -0.08 -0.34 0.00 0.00 178.44 178.83 1rkw h GLU 120 N -0.41 0.78 -0.54 1.25 4.57 0.95 -1.88 114.58 119.30 1rkw h GLU 120 Ca 0.00 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1rkw h GLU 120 Cb 0.47 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1rkw h GLU 120 CO 0.00 0.54 0.04 -0.91 -1.18 0.00 0.00 179.01 177.50 1rkw h ASN 121 N 0.80 0.85 -0.66 1.04 -0.26 -0.24 -0.97 115.58 116.15 1rkw h ASN 121 Ca 0.21 -0.20 0.04 0.00 -0.56 0.00 0.00 56.30 55.79 1rkw h ASN 121 Cb -0.05 -0.23 -0.05 0.00 -1.06 0.00 0.00 38.32 36.93 1rkw h ASN 121 CO -0.04 0.89 0.39 0.11 -1.06 0.00 0.00 177.43 177.71 1rkw h LYS 122 N 0.83 0.71 -0.53 0.81 1.57 -0.86 -1.08 116.57 118.03 1rkw h LYS 122 Ca 0.16 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1rkw h LYS 122 Cb 0.44 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1rkw h LYS 122 CO 0.02 0.47 0.28 1.88 -0.57 0.00 0.00 179.45 181.53 1rkw h TYR 123 N 0.73 0.74 0.00 -1.35 -1.99 -1.11 -2.31 116.97 111.68 1rkw h TYR 123 Ca 0.28 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.97 1rkw h TYR 123 Cb 0.11 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 38.60 1rkw h TYR 123 CO -0.06 0.55 -0.11 0.82 -0.00 0.00 0.00 178.16 179.36 1rkw h ILE 124 N 0.71 0.94 -0.99 -2.88 2.04 -0.52 -2.67 117.51 114.13 1rkw h ILE 124 Ca 0.19 -0.38 0.17 0.00 1.00 0.00 0.00 64.86 65.83 1rkw h ILE 124 Cb 0.07 1.21 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 1rkw h ILE 124 CO -0.03 0.10 0.62 0.44 0.00 0.00 0.00 178.15 179.28 1rkw h ASP 125 N 0.00 0.79 -0.74 1.72 3.45 -0.62 -0.29 116.42 120.73 1rkw h ASP 125 Ca -0.00 0.07 0.16 0.00 0.43 0.00 0.00 57.03 57.69 1rkw h ASP 125 Cb 0.20 -0.08 -0.11 0.00 -0.56 0.00 0.00 39.33 38.79 1rkw h ASP 125 CO 0.01 0.34 0.18 0.00 -1.57 0.00 0.00 179.24 178.20 1rkw h ALA 126 N 1.61 0.96 -0.37 3.45 0.00 -1.56 0.17 119.26 123.52 1rkw h ALA 126 Ca 0.54 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.54 1rkw h ALA 126 Cb 0.79 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1rkw h ALA 126 CO -0.32 -0.34 -0.07 1.88 0.00 0.00 0.00 179.25 180.41 1rkw h TYR 127 N 0.27 0.77 -0.12 0.00 0.05 -1.25 -2.11 116.97 114.59 1rkw h TYR 127 Ca 0.42 -0.16 0.04 0.00 0.05 0.00 0.00 58.73 59.08 1rkw h TYR 127 Cb 0.71 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 38.21 1rkw h TYR 127 CO -0.26 0.83 -0.18 1.25 -1.05 0.00 0.00 178.16 178.75 1rkw h HIS 128 N 0.49 -0.48 -0.03 4.88 2.76 -0.27 0.86 115.15 123.36 1rkw h HIS 128 Ca 0.10 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1rkw h HIS 128 Cb 0.57 0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.71 1rkw h HIS 128 CO 0.05 -0.26 -0.25 0.28 -1.30 0.00 0.00 177.93 176.45 1rkw h VAL 129 N -0.24 0.42 -0.38 5.26 2.07 -0.65 0.19 116.25 122.92 1rkw h VAL 129 Ca 0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.69 1rkw h VAL 129 Cb 0.37 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 1rkw h VAL 129 CO -0.26 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 177.62 1rkw h ILE 130 N -0.37 0.59 -0.37 4.57 2.04 -0.82 0.09 117.51 123.24 1rkw h ILE 130 Ca 0.07 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 1rkw h ILE 130 Cb 0.47 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1rkw h ILE 130 CO -0.24 0.00 0.02 -0.26 0.00 0.00 0.00 178.15 177.66 1rkw h PHE 131 N -0.02 0.70 0.66 1.37 0.04 -0.46 0.99 116.94 120.21 1rkw h PHE 131 Ca 0.18 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 1rkw h PHE 131 Cb 0.30 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1rkw h PHE 131 CO -0.35 0.72 -0.34 -0.22 -0.60 0.00 0.00 178.31 177.52 1rkw h LYS 132 N 0.47 -0.88 -0.99 1.51 3.64 -0.69 -1.22 116.57 118.41 1rkw h LYS 132 Ca 0.11 0.06 0.19 0.00 -1.27 0.00 0.00 60.65 59.73 1rkw h LYS 132 Cb 0.43 0.20 -0.10 0.00 -0.41 0.00 0.00 32.23 32.36 1rkw h LYS 132 CO 0.02 -0.59 0.61 0.93 -2.27 0.00 0.00 179.45 178.15 1rkw h GLU 133 N -0.92 0.70 -0.84 1.90 4.39 -0.95 0.23 114.58 119.10 1rkw h GLU 133 Ca -0.09 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.61 1rkw h GLU 133 Cb 0.72 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 1rkw h GLU 133 CO 0.13 0.46 0.53 0.78 -1.16 0.00 0.00 179.01 179.75 1rkw h GLY 134 N 0.72 1.22 0.89 -3.84 0.00 0.09 -2.83 103.07 99.33 1rkw h GLY 134 Ca 0.55 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 1rkw h GLY 134 CO -0.33 0.33 -0.17 3.43 0.00 0.00 0.00 176.54 179.80 1rkw h ASN 135 N 1.02 -0.40 0.00 0.19 2.35 0.18 -0.34 115.58 118.58 1rkw h ASN 135 Ca 0.34 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1rkw h ASN 135 Cb 0.05 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1rkw h ASN 135 CO -0.13 -0.19 0.00 0.18 -1.65 0.00 0.00 177.43 175.64 1rkw n LEU 136 N -5.25 0.00 -0.64 1.61 4.32 -0.92 -0.97 117.00 115.15 1rkw n LEU 136 Ca -0.10 0.09 0.05 0.00 -0.02 0.00 0.00 56.01 56.02 1rkw n LEU 136 Cb 0.23 -0.09 0.08 0.00 -1.62 0.00 0.00 43.42 42.02 1rkw n LEU 136 CO 0.34 -0.09 0.31 0.59 -1.22 0.00 0.00 177.39 177.32 1rkw n ASN 137 N -1.09 1.16 -2.81 -1.43 4.13 -1.08 -5.00 115.26 109.15 1rkw n ASN 137 Ca 0.00 -2.64 -0.14 0.00 1.68 0.00 0.00 54.58 53.48 1rkw n ASN 137 Cb 0.00 -0.34 -0.01 0.00 -1.54 0.00 0.00 39.78 37.89 1rkw n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rkw n GLY 138 N -0.47 -0.49 0.12 7.41 0.00 -0.15 -4.76 105.19 106.86 1rkw n GLY 138 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.34 0.00 -2.39 1.61 5.08 -1.28 -3.48 114.58 113.77 1rkw h GLU 139 Ca -0.29 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.28 1rkw h GLU 139 Cb 1.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 1rkw h GLU 139 CO 0.35 0.56 0.65 1.67 -1.00 0.00 0.00 179.01 181.25 1rkw s TRP 140 N -2.91 0.04 -0.19 4.33 -2.14 -1.22 -4.95 118.94 111.91 1rkw s TRP 140 Ca 0.02 -0.37 -0.05 0.00 2.66 0.00 0.00 56.10 58.37 1rkw s TRP 140 Cb 0.08 0.66 0.07 0.00 -3.10 0.00 0.00 33.47 31.18 1rkw s TRP 140 CO 0.77 -0.77 0.09 0.45 -2.66 0.00 0.00 176.95 174.83 1rkw s SER 141 N -3.43 2.53 -0.06 -2.66 0.15 -1.26 -3.94 113.70 105.03 1rkw s SER 141 Ca 0.22 -0.71 0.06 0.00 0.70 0.00 0.00 55.95 56.22 1rkw s SER 141 Cb -0.02 -0.28 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 1rkw s SER 141 CO 0.04 -0.36 -0.23 -0.63 1.20 0.00 0.00 173.24 173.25 1rkw s ILE 142 N 2.12 2.22 -0.93 6.45 1.01 -1.26 -4.98 121.20 125.83 1rkw s ILE 142 Ca 0.03 -1.01 0.20 0.00 0.00 0.00 0.00 60.65 59.87 1rkw s ILE 142 Cb -0.16 -1.82 -0.22 0.00 0.01 0.00 0.00 42.46 40.27 1rkw s ILE 142 CO -0.13 0.57 0.85 -0.46 0.00 0.00 0.00 174.94 175.77 1rkw n ASN 143 N 2.89 0.93 -2.69 3.58 2.04 -1.26 -4.48 115.26 116.27 1rkw n ASN 143 Ca -0.17 -0.95 -0.28 0.00 -0.44 0.00 0.00 54.58 52.74 1rkw n ASN 143 Cb 0.52 1.03 -0.01 0.00 -2.53 0.00 0.00 39.78 38.79 1rkw n ASN 143 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1rkw n ASP 144 N -1.50 4.82 -0.18 0.53 5.75 -1.26 -4.92 116.55 119.79 1rkw n ASP 144 Ca 0.04 -3.71 -0.03 0.00 -0.01 0.00 0.00 54.79 51.07 1rkw n ASP 144 Cb 0.32 -0.54 0.04 0.00 -1.03 0.00 0.00 41.12 39.91 1rkw n ASP 144 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1rkw h VAL 145 N 2.69 0.37 -0.87 2.12 2.07 -2.00 0.36 116.25 121.00 1rkw h VAL 145 Ca 0.26 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.90 1rkw h VAL 145 Cb 0.72 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1rkw h VAL 145 CO 0.87 0.00 0.56 0.78 0.02 0.00 0.00 177.57 179.80 1rkw h ASN 146 N -0.06 0.69 0.04 0.57 2.35 -1.97 -1.17 115.58 116.05 1rkw h ASN 146 Ca 0.26 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1rkw h ASN 146 Cb 0.45 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1rkw h ASN 146 CO -0.59 0.38 -0.02 0.00 -1.65 0.00 0.00 177.43 175.55 1rkw h ALA 147 N 1.59 -0.06 -0.50 -0.83 0.00 -0.81 -1.92 119.26 116.72 1rkw h ALA 147 Ca 0.42 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1rkw h ALA 147 Cb 0.58 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1rkw h ALA 147 CO -0.18 -0.16 0.34 0.28 0.00 0.00 0.00 179.25 179.52 1rkw h VAL 148 N -0.81 0.98 -0.40 0.00 2.07 -0.79 -1.63 116.25 115.68 1rkw h VAL 148 Ca -0.01 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1rkw h VAL 148 Cb 0.67 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1rkw h VAL 148 CO 0.01 0.08 0.18 0.28 0.02 0.00 0.00 177.57 178.14 1rkw h SER 149 N 0.44 0.53 -0.31 0.57 0.02 -1.15 0.13 113.55 113.78 1rkw h SER 149 Ca 0.22 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1rkw h SER 149 Cb 0.30 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1rkw h SER 149 CO -0.06 0.52 0.01 0.11 -1.14 0.00 0.00 176.83 176.27 1rkw h LYS 150 N 0.50 0.64 0.09 3.45 1.57 -0.52 -1.67 116.57 120.64 1rkw h LYS 150 Ca 0.14 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1rkw h LYS 150 Cb 0.14 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1rkw h LYS 150 CO -0.02 0.66 -0.04 0.82 -0.57 0.00 0.00 179.45 180.30 1rkw h ILE 151 N 0.61 1.14 -0.45 1.86 2.04 -0.87 -2.53 117.51 119.31 1rkw h ILE 151 Ca 0.13 -0.92 0.07 0.00 1.00 0.00 0.00 64.86 65.13 1rkw h ILE 151 Cb 0.38 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 1rkw h ILE 151 CO 0.01 0.22 0.12 0.00 0.00 0.00 0.00 178.15 178.51 1rkw h ALA 152 N 0.30 0.52 0.03 1.87 0.00 -0.69 0.31 119.26 121.59 1rkw h ALA 152 Ca -0.01 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1rkw h ALA 152 Cb 0.45 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1rkw h ALA 152 CO 0.02 -0.27 -0.17 0.00 0.00 0.00 0.00 179.25 178.82 1rkw h ALA 153 N 1.32 -0.23 -0.02 0.00 0.00 -1.25 0.05 119.26 119.13 1rkw h ALA 153 Ca 0.22 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1rkw h ALA 153 Cb 0.25 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1rkw h ALA 153 CO -0.25 -0.68 -0.65 -0.91 0.00 0.00 0.00 179.25 176.76 1rkw h ASN 154 N -0.30 0.10 0.18 0.00 2.35 -1.29 -1.39 115.58 115.24 1rkw h ASN 154 Ca 0.04 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1rkw h ASN 154 Cb 0.35 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1rkw h ASN 154 CO -0.14 0.72 -0.09 0.00 -1.65 0.00 0.00 177.43 176.27 1rkw h ALA 155 N 1.28 -0.25 -0.66 -0.83 0.00 -0.73 -0.87 119.26 117.20 1rkw h ALA 155 Ca -0.01 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1rkw h ALA 155 Cb 1.16 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1rkw h ALA 155 CO 0.09 -0.47 0.32 0.28 0.00 0.00 0.00 179.25 179.47 1rkw h VAL 156 N -0.58 0.85 -0.92 0.00 2.07 -1.00 -1.16 116.25 115.51 1rkw h VAL 156 Ca -0.03 -0.19 0.11 0.00 0.82 0.00 0.00 66.70 67.41 1rkw h VAL 156 Cb 0.43 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1rkw h VAL 156 CO 0.04 0.10 0.59 -1.13 0.02 0.00 0.00 177.57 177.19 1rkw h ASN 157 N 0.55 0.82 -0.25 0.57 -0.00 -1.09 0.65 115.58 116.83 1rkw h ASN 157 Ca 0.32 0.03 -0.19 0.00 -0.00 0.00 0.00 56.30 56.46 1rkw h ASN 157 Cb 0.33 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.51 1rkw h ASN 157 CO -0.26 0.46 -0.57 1.23 -0.00 0.00 0.00 177.43 178.30 1rkw h GLY 158 N 0.89 0.93 1.27 1.57 0.00 0.03 -1.20 103.07 106.56 1rkw h GLY 158 Ca 0.44 -1.11 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 1rkw h GLY 158 CO -0.20 1.00 0.27 -2.22 0.00 0.00 0.00 176.54 175.39 1rkw h ILE 159 N 0.65 1.22 -0.20 2.60 2.04 -0.33 -0.44 117.51 123.04 1rkw h ILE 159 Ca 0.01 -0.68 -0.11 0.00 1.00 0.00 0.00 64.86 65.08 1rkw h ILE 159 Cb 1.18 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1rkw h ILE 159 CO 0.12 0.27 -0.29 0.58 0.00 0.00 0.00 178.15 178.83 1rkw h VAL 160 N 0.92 1.33 0.08 1.67 2.07 -0.81 -3.23 116.25 118.28 1rkw h VAL 160 Ca 0.22 -1.50 -0.25 0.00 0.82 0.00 0.00 66.70 65.98 1rkw h VAL 160 Cb 0.16 1.82 0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1rkw h VAL 160 CO -0.02 0.46 -1.12 0.74 0.02 0.00 0.00 177.57 177.65 1rkw h THR 161 N 0.23 1.45 -0.01 2.57 2.02 -1.03 -3.39 112.91 114.75 1rkw h THR 161 Ca 0.02 -2.77 0.00 0.00 0.77 0.00 0.00 66.41 64.43 1rkw h THR 161 Cb 0.87 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 1rkw h THR 161 CO 0.07 0.82 -0.41 0.49 0.37 0.00 0.00 175.52 176.86 1rkw n PHE 162 N -3.64 0.00 0.27 3.16 3.01 -0.19 -4.21 117.46 115.85 1rkw n PHE 162 Ca -0.08 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.50 1rkw n PHE 162 Cb 0.94 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.49 1rkw n PHE 162 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1rkw h THR 163 N 2.08 0.00 0.00 4.37 2.02 -1.72 -3.43 112.91 116.24 1rkw h THR 163 Ca 0.00 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1rkw h THR 163 Cb 0.65 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1rkw h THR 163 CO 0.00 0.00 0.00 1.57 0.37 0.00 0.00 175.52 177.46 1rkw n HIS 164 N -2.56 0.00 -3.13 3.16 -0.00 -1.26 -3.03 115.22 108.40 1rkw n HIS 164 Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.50 1rkw n HIS 164 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.46 1rkw n HIS 164 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1rkw n GLU 165 N -0.04 1.97 -3.57 1.57 0.00 -1.26 -5.05 120.64 114.26 1rkw n GLU 165 Ca 0.00 -4.07 -0.15 0.00 0.00 0.00 0.00 57.16 52.94 1rkw n GLU 165 Cb 0.00 -1.91 -0.06 0.00 0.00 0.00 0.00 31.44 29.47 1rkw n GLU 165 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1rkw s GLN 166 N -2.67 0.88 0.34 3.44 -0.21 -1.17 -5.15 119.66 115.13 1rkw s GLN 166 Ca 0.43 0.52 -0.29 0.00 0.02 0.00 0.00 55.36 56.04 1rkw s GLN 166 Cb 0.28 0.42 -0.11 0.00 1.00 0.00 0.00 33.01 34.60 1rkw s GLN 166 CO -0.10 -0.21 1.50 0.54 -2.12 0.00 0.00 175.29 174.90 1rkw s ASN 167 N -0.54 6.40 0.42 5.90 4.22 -1.26 -4.78 114.94 125.30 1rkw s ASN 167 Ca -0.05 2.97 0.25 0.00 -2.14 0.00 0.00 52.86 53.89 1rkw s ASN 167 Cb -0.02 -2.65 1.28 0.00 1.28 0.00 0.00 41.25 41.14 1rkw s ASN 167 CO 0.05 -0.85 1.69 -0.29 -2.04 0.00 0.00 177.10 175.65 1rkw h ILE 168 N 3.13 0.30 -0.07 0.54 6.09 -2.01 0.72 117.51 126.21 1rkw h ILE 168 Ca -0.49 -0.07 -0.15 0.00 -1.37 0.00 0.00 64.86 62.78 1rkw h ILE 168 Cb 1.23 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 1rkw h ILE 168 CO 0.69 0.04 -0.61 0.78 -3.07 0.00 0.00 178.15 175.98 1rkw h ASN 169 N 0.22 0.26 0.34 2.19 4.21 -1.99 -1.65 115.58 119.16 1rkw h ASN 169 Ca 0.72 -0.15 -0.02 0.00 1.21 0.00 0.00 56.30 58.06 1rkw h ASN 169 Cb 2.10 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 39.22 1rkw h ASN 169 CO -0.37 0.81 -0.16 -0.08 -1.29 0.00 0.00 177.43 176.34 1rkw h GLU 170 N 0.17 -0.44 -0.85 0.81 4.57 -1.22 0.70 114.58 118.32 1rkw h GLU 170 Ca -0.01 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.33 1rkw h GLU 170 Cb 1.12 0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 29.72 1rkw h GLU 170 CO 0.09 -0.23 0.45 0.00 -1.18 0.00 0.00 179.01 178.15 1rkw h ARG 171 N -0.55 0.66 -0.14 1.92 3.08 -1.41 0.29 114.38 118.23 1rkw h ARG 171 Ca -0.05 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 1rkw h ARG 171 Cb 0.41 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1rkw h ARG 171 CO 0.08 0.44 -0.42 0.82 -1.07 0.00 0.00 179.97 179.82 1rkw h ILE 172 N 0.68 1.31 -0.04 2.04 2.04 -1.12 0.18 117.51 122.60 1rkw h ILE 172 Ca 0.44 -1.55 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 1rkw h ILE 172 Cb 0.56 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1rkw h ILE 172 CO -0.32 0.47 0.01 0.50 0.00 0.00 0.00 178.15 178.81 1rkw h LYS 173 N 0.27 0.07 -0.84 2.37 3.11 0.15 -1.05 116.57 120.64 1rkw h LYS 173 Ca 0.02 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.82 1rkw h LYS 173 Cb 0.85 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.03 1rkw h LYS 173 CO 0.07 0.27 0.41 -0.07 -2.81 0.00 0.00 179.45 177.32 1rkw h LEU 174 N -0.15 1.10 -0.48 5.20 3.38 -0.20 -0.01 115.31 124.16 1rkw h LEU 174 Ca 0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1rkw h LEU 174 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1rkw h LEU 174 CO 0.00 0.92 0.17 -0.03 0.09 0.00 0.00 178.44 179.59 1rkw h MET 175 N 1.20 0.73 -0.36 1.13 4.05 -0.47 0.11 114.93 121.31 1rkw h MET 175 Ca 0.29 -0.14 -0.09 0.00 -0.28 0.00 0.00 59.70 59.47 1rkw h MET 175 Cb 0.11 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1rkw h MET 175 CO -0.04 0.67 -0.16 -0.91 0.23 0.00 0.00 176.91 176.71 1rkw h ASN 176 N 0.64 0.65 -0.17 1.39 2.35 -0.87 -0.71 115.58 118.85 1rkw h ASN 176 Ca 0.16 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1rkw h ASN 176 Cb 0.23 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1rkw h ASN 176 CO -0.01 0.82 0.08 0.50 -1.65 0.00 0.00 177.43 177.17 1rkw h LYS 177 N 0.59 0.25 -0.52 0.81 1.63 -0.50 -1.14 116.57 117.70 1rkw h LYS 177 Ca 0.10 -0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.95 1rkw h LYS 177 Cb 0.60 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.12 1rkw h LYS 177 CO 0.04 0.30 0.09 0.35 -3.45 0.00 0.00 179.45 176.79 1rkw h PHE 178 N 0.14 0.15 -0.06 1.91 3.57 -0.29 -0.17 116.94 122.19 1rkw h PHE 178 Ca 0.06 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1rkw h PHE 178 Cb 0.14 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1rkw h PHE 178 CO -0.02 -0.02 -0.10 0.77 -2.23 0.00 0.00 178.31 176.70 1rkw h SER 179 N 0.23 0.08 0.39 0.41 0.02 -0.63 -0.20 113.55 113.85 1rkw h SER 179 Ca 0.26 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1rkw h SER 179 Cb 0.36 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1rkw h SER 179 CO -0.35 0.20 -0.19 -0.61 -1.14 0.00 0.00 176.83 174.74 1rkw h GLN 180 N 0.08 -0.51 0.12 3.45 4.15 0.16 -1.60 115.11 120.96 1rkw h GLN 180 Ca 0.02 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.49 1rkw h GLN 180 Cb 0.24 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 1rkw h GLN 180 CO 0.01 -0.20 -0.43 0.82 -1.93 0.00 0.00 178.83 177.11 1rkw h ILE 181 N -0.92 0.14 -0.81 2.39 2.04 -0.85 -0.51 117.51 118.99 1rkw h ILE 181 Ca -0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.93 1rkw h ILE 181 Cb 0.55 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 1rkw h ILE 181 CO 0.09 0.00 0.42 0.15 0.00 0.00 0.00 178.15 178.81 1rkw h PHE 182 N -0.66 0.75 0.00 1.37 3.04 -1.11 0.15 116.94 120.48 1rkw h PHE 182 Ca 0.02 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 1rkw h PHE 182 Cb 0.69 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 1rkw h PHE 182 CO -0.38 0.23 -0.26 1.25 -2.02 0.00 0.00 178.31 177.13 1rkw h LEU 183 N 0.65 0.00 -0.05 0.59 5.85 -1.01 -2.90 115.31 118.44 1rkw h LEU 183 Ca 0.42 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.94 1rkw h LEU 183 Cb 0.52 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1rkw h LEU 183 CO -0.32 0.26 -0.75 -1.13 -0.34 0.00 0.00 178.44 176.16 1rkw h ASN 184 N 0.00 0.75 0.00 1.25 -0.00 0.88 -3.11 115.58 115.36 1rkw h ASN 184 Ca -0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 56.30 55.60 1rkw h ASN 184 Cb 0.83 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.92 1rkw h ASN 184 CO 0.03 1.35 0.00 0.61 -0.00 0.00 0.00 177.43 179.42 1rkw n GLY 185 N 0.92 -0.44 0.04 1.57 0.00 -0.00 -2.55 105.19 104.73 1rkw n GLY 185 Ca -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1rkw n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rkw n LEU 186 N -0.78 0.00 0.00 0.99 4.77 -1.17 -5.09 117.00 115.71 1rkw n LEU 186 Ca 0.06 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1rkw n LEU 186 Cb 0.03 0.17 0.63 0.00 -2.33 0.00 0.00 43.42 41.92 1rkw n LEU 186 CO 0.04 0.17 0.82 -1.54 -1.33 0.00 0.00 177.39 175.56