#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkw n LEU 3 N 0.00 0.00 -0.03 1.20 -0.00 -1.26 -4.68 117.00 112.22 1rkw n LEU 3 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1rkw n LEU 3 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 1rkw n LEU 3 CO 0.00 0.01 -0.68 1.17 -0.00 0.00 0.00 177.39 177.89 1rkw n LYS 4 N 0.00 0.66 0.17 1.96 4.81 -1.26 -3.66 118.16 120.84 1rkw n LYS 4 Ca 0.00 0.24 0.10 0.00 -0.87 0.00 0.00 58.31 57.78 1rkw n LYS 4 Cb 0.02 -1.73 0.09 0.00 0.02 0.00 0.00 35.03 33.42 1rkw n LYS 4 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1rkw h ASP 5 N 0.01 0.00 -0.16 3.14 3.32 -1.99 -2.21 116.42 118.53 1rkw h ASP 5 Ca -0.35 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 1rkw h ASP 5 Cb 2.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.60 1rkw h ASP 5 CO 0.07 0.10 0.02 0.50 -1.72 0.00 0.00 179.24 178.21 1rkw h LYS 6 N 0.00 0.27 0.67 3.56 1.63 -1.84 -1.03 116.57 119.84 1rkw h LYS 6 Ca -0.01 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 1rkw h LYS 6 Cb 1.09 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.70 1rkw h LYS 6 CO 0.01 0.46 -0.32 0.82 -3.45 0.00 0.00 179.45 176.97 1rkw h ILE 7 N 0.04 0.29 -0.79 2.00 2.04 -1.62 0.36 117.51 119.83 1rkw h ILE 7 Ca 0.05 -0.14 0.17 0.00 1.00 0.00 0.00 64.86 65.93 1rkw h ILE 7 Cb 0.33 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 36.63 1rkw h ILE 7 CO 0.00 0.02 0.29 -0.07 0.00 0.00 0.00 178.15 178.39 1rkw h LEU 8 N -1.01 0.21 0.22 1.44 3.38 -1.42 0.34 115.31 118.47 1rkw h LEU 8 Ca -0.09 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1rkw h LEU 8 Cb 0.72 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1rkw h LEU 8 CO 0.15 0.03 -0.11 1.23 0.09 0.00 0.00 178.44 179.84 1rkw h GLY 9 N 0.38 -0.31 0.66 0.83 0.00 -1.02 -0.94 103.07 102.67 1rkw h GLY 9 Ca 0.46 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.97 1rkw h GLY 9 CO -0.47 -0.11 0.41 -2.08 0.00 0.00 0.00 176.54 174.28 1rkw h VAL 10 N -0.80 0.97 -0.33 4.60 2.07 0.11 -2.09 116.25 120.79 1rkw h VAL 10 Ca -0.03 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1rkw h VAL 10 Cb 0.51 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1rkw h VAL 10 CO 0.05 0.14 0.05 0.00 0.02 0.00 0.00 177.57 177.83 1rkw h ALA 11 N 1.37 0.43 -0.78 1.67 0.00 -0.38 -0.64 119.26 120.92 1rkw h ALA 11 Ca 0.32 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1rkw h ALA 11 Cb 0.21 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 1rkw h ALA 11 CO -0.19 0.13 0.38 -0.22 0.00 0.00 0.00 179.25 179.35 1rkw h LYS 12 N 0.37 0.56 -0.33 0.00 3.64 -0.74 0.76 116.57 120.82 1rkw h LYS 12 Ca 0.10 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1rkw h LYS 12 Cb 0.35 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1rkw h LYS 12 CO 0.01 0.37 -0.20 1.49 -2.27 0.00 0.00 179.45 178.85 1rkw h GLU 13 N 0.57 0.72 -0.43 1.90 4.57 -1.20 -1.29 114.58 119.43 1rkw h GLU 13 Ca 0.42 -0.33 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 1rkw h GLU 13 Cb 0.56 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1rkw h GLU 13 CO -0.35 0.94 -0.11 -0.07 -1.18 0.00 0.00 179.01 178.24 1rkw h LEU 14 N 0.50 0.75 -0.82 1.64 3.38 0.25 -0.67 115.31 120.35 1rkw h LEU 14 Ca 0.07 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1rkw h LEU 14 Cb 0.75 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1rkw h LEU 14 CO 0.06 0.89 -0.23 -0.26 0.09 0.00 0.00 178.44 178.98 1rkw h PHE 15 N 0.69 0.71 -0.13 1.13 0.05 0.64 0.05 116.94 120.07 1rkw h PHE 15 Ca 0.12 -0.15 -0.19 0.00 3.82 0.00 0.00 57.97 61.56 1rkw h PHE 15 Cb 0.59 -0.17 -0.00 0.00 2.00 0.00 0.00 35.95 38.37 1rkw h PHE 15 CO 0.03 0.81 -0.69 0.82 -0.18 0.00 0.00 178.31 179.09 1rkw h ILE 16 N 0.55 1.33 0.07 -0.55 2.04 -1.03 -1.01 117.51 118.91 1rkw h ILE 16 Ca 0.08 -2.00 -0.26 0.00 1.00 0.00 0.00 64.86 63.68 1rkw h ILE 16 Cb 0.70 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1rkw h ILE 16 CO 0.05 0.62 -1.27 0.50 0.00 0.00 0.00 178.15 178.05 1rkw h LYS 17 N 0.40 0.15 0.00 2.37 3.64 -0.97 -3.40 116.57 118.76 1rkw h LYS 17 Ca -0.03 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1rkw h LYS 17 Cb 1.28 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1rkw h LYS 17 CO 0.13 1.05 0.00 0.09 -2.27 0.00 0.00 179.45 178.45 1rkw n ASN 18 N -3.40 1.04 0.00 4.20 3.02 -0.01 -5.09 115.26 115.02 1rkw n ASN 18 Ca -0.08 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 1rkw n ASN 18 Cb 1.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 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 -0.22 -1.53 0.12 7.41 0.00 -0.38 -4.13 105.19 106.45 1rkw n GLY 19 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.27 -0.85 1.61 3.20 -1.80 -3.31 116.97 115.55 1rkw h TYR 20 Ca 0.00 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.11 1rkw h TYR 20 Cb 0.00 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1rkw h TYR 20 CO 0.00 -0.17 0.84 -0.91 -1.64 0.00 0.00 178.16 176.28 1rkw h ASN 21 N -0.46 0.00 0.13 -2.11 2.35 -1.92 0.18 115.58 113.75 1rkw h ASN 21 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1rkw h ASN 21 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1rkw h ASN 21 CO 0.05 0.00 -0.29 0.00 -1.65 0.00 0.00 177.43 175.54 1rkw n ALA 22 N -2.42 3.15 -2.62 -0.83 0.00 -1.25 -4.80 120.51 111.74 1rkw n ALA 22 Ca 0.18 -0.49 -0.39 0.00 0.00 0.00 0.00 53.44 52.74 1rkw n ALA 22 Cb 1.12 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.42 5.14 0.04 0.00 2.01 0.05 -5.03 115.64 115.42 1rkw s THR 23 Ca 0.24 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1rkw s THR 23 Cb 0.19 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1rkw s THR 23 CO 0.51 0.07 -0.01 0.42 -0.69 0.00 0.00 174.62 174.92 1rkw s THR 24 N 1.71 4.03 0.37 -0.82 -4.23 -1.26 -4.98 115.64 110.46 1rkw s THR 24 Ca 0.06 -0.80 0.17 0.00 -1.18 0.00 0.00 61.69 59.94 1rkw s THR 24 Cb -0.17 -2.85 0.37 0.00 1.34 0.00 0.00 72.50 71.19 1rkw s THR 24 CO 0.10 0.26 1.71 0.71 -0.54 0.00 0.00 174.62 176.86 1rkw h THR 25 N 3.25 0.42 0.07 3.99 1.35 -1.98 0.17 112.91 120.18 1rkw h THR 25 Ca -0.48 -0.13 0.02 0.00 -0.55 0.00 0.00 66.41 65.27 1rkw h THR 25 Cb 1.17 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.54 1rkw h THR 25 CO 0.58 0.07 -0.46 1.23 -0.25 0.00 0.00 175.52 176.69 1rkw h GLY 26 N 0.38 -0.94 1.52 5.82 0.00 -1.99 0.60 103.07 108.46 1rkw h GLY 26 Ca 0.67 0.56 -0.03 0.00 0.00 0.00 0.00 47.33 48.53 1rkw h GLY 26 CO -0.43 -0.26 0.12 -2.09 0.00 0.00 0.00 176.54 173.88 1rkw h GLU 27 N -0.66 0.62 0.85 4.80 4.81 -1.16 -2.07 114.58 121.76 1rkw h GLU 27 Ca 0.02 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1rkw h GLU 27 Cb 0.70 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.98 1rkw h GLU 27 CO -0.29 0.55 -0.43 0.82 -0.73 0.00 0.00 179.01 178.94 1rkw h ILE 28 N 0.61 0.00 -0.11 2.32 2.04 -0.06 -2.47 117.51 119.84 1rkw h ILE 28 Ca 0.14 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.05 1rkw h ILE 28 Cb 0.20 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.23 1rkw h ILE 28 CO -0.01 0.00 -0.22 0.58 0.00 0.00 0.00 178.15 178.51 1rkw h VAL 29 N -1.16 0.47 0.00 1.67 2.07 0.26 -1.48 116.25 118.07 1rkw h VAL 29 Ca -0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1rkw h VAL 29 Cb 0.90 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1rkw h VAL 29 CO 0.18 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.06 1rkw n LYS 30 N -5.35 0.07 0.03 1.57 2.85 -0.79 0.32 118.16 116.87 1rkw n LYS 30 Ca -0.03 0.23 0.01 0.00 -1.05 0.00 0.00 58.31 57.47 1rkw n LYS 30 Cb 0.26 -1.62 -0.08 0.00 -0.65 0.00 0.00 35.03 32.94 1rkw n LYS 30 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1rkw n LEU 31 N -1.76 0.80 -0.90 -5.58 7.94 -0.93 -3.74 117.00 112.83 1rkw n LEU 31 Ca 0.04 0.35 0.07 0.00 -1.11 0.00 0.00 56.01 55.36 1rkw n LEU 31 Cb 0.25 0.07 0.22 0.00 0.53 0.00 0.00 43.42 44.49 1rkw n LEU 31 CO 0.20 0.12 0.69 -1.54 -1.11 0.00 0.00 177.39 175.75 1rkw n SER 32 N -2.84 3.42 -3.30 1.96 3.41 -0.59 -5.03 113.62 110.65 1rkw n SER 32 Ca -0.09 -2.16 -0.26 0.00 -0.26 0.00 0.00 58.87 56.09 1rkw n SER 32 Cb 0.82 -0.35 0.03 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.68 -1.88 0.00 4.33 1.02 0.15 -4.85 120.64 120.09 1rkw n GLU 33 Ca 0.17 1.54 0.00 0.00 -0.02 0.00 0.00 57.16 58.85 1rkw n GLU 33 Cb 0.56 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 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 0.03 2.71 -3.48 1.62 2.88 -0.57 -5.00 113.62 111.82 1rkw n SER 34 Ca -0.03 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.36 1rkw n SER 34 Cb 0.59 0.00 -0.04 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 1.80 -0.62 0.41 -3.46 1.04 -1.26 -4.75 113.70 106.85 1rkw s SER 35 Ca 0.00 0.40 0.16 0.00 0.48 0.00 0.00 55.95 56.99 1rkw s SER 35 Cb 0.00 0.57 1.03 0.00 0.10 0.00 0.00 66.02 67.71 1rkw s SER 35 CO 0.00 -0.77 1.86 0.50 0.98 0.00 0.00 173.24 175.81 1rkw h LYS 36 N 2.56 0.45 -0.48 4.02 3.64 -1.97 0.33 116.57 125.12 1rkw h LYS 36 Ca -0.30 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1rkw h LYS 36 Cb 1.21 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1rkw h LYS 36 CO 0.39 0.30 0.18 0.78 -2.27 0.00 0.00 179.45 178.82 1rkw h GLY 37 N 0.46 0.78 0.82 5.01 0.00 -1.98 0.13 103.07 108.29 1rkw h GLY 37 Ca 0.46 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1rkw h GLY 37 CO -0.18 0.41 -0.30 -0.57 0.00 0.00 0.00 176.54 175.90 1rkw h ASN 38 N 0.64 -0.71 -0.51 0.19 -0.73 -0.87 0.39 115.58 113.98 1rkw h ASN 38 Ca 0.16 -0.02 0.07 0.00 1.87 0.00 0.00 56.30 58.38 1rkw h ASN 38 Cb 0.22 0.18 -0.06 0.00 0.27 0.00 0.00 38.32 38.93 1rkw h ASN 38 CO -0.01 -0.38 0.17 0.25 -0.37 0.00 0.00 177.43 177.08 1rkw h LEU 39 N -1.03 0.15 -1.28 0.34 6.46 -0.86 0.31 115.31 119.40 1rkw h LEU 39 Ca -0.09 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1rkw h LEU 39 Cb 0.69 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 1rkw h LEU 39 CO 0.14 0.11 0.00 1.88 -0.62 0.00 0.00 178.44 179.95 1rkw h TYR 40 N 0.34 0.50 -0.24 1.25 -1.99 -0.77 0.33 116.97 116.39 1rkw h TYR 40 Ca 0.25 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 1rkw h TYR 40 Cb 0.29 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 1rkw h TYR 40 CO -0.18 0.50 0.11 -0.92 -0.00 0.00 0.00 178.16 177.66 1rkw h TYR 41 N 0.47 0.35 0.00 4.88 3.20 0.16 0.67 116.97 126.70 1rkw h TYR 41 Ca 0.10 -0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.76 1rkw h TYR 41 Cb 0.31 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1rkw h TYR 41 CO 0.01 0.36 -1.07 0.45 -1.64 0.00 0.00 178.16 176.27 1rkw h HIS 42 N 0.24 0.00 0.00 -3.82 3.86 -0.19 -3.41 115.15 111.84 1rkw h HIS 42 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1rkw h HIS 42 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1rkw h HIS 42 CO -0.02 0.83 -0.36 1.19 0.86 0.00 0.00 177.93 180.44 1rkw n PHE 43 N -3.21 0.00 0.00 2.45 3.01 0.11 -5.08 117.46 114.75 1rkw n PHE 43 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1rkw n PHE 43 Cb 0.90 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.37 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 -0.74 0.00 -5.08 -1.08 5.02 0.23 -4.28 118.16 112.23 1rkw n LYS 44 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1rkw n LYS 44 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.86 1rkw n LYS 44 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1rkw s THR 45 N 0.00 1.98 0.47 -0.18 -1.32 -1.26 -4.30 115.64 111.02 1rkw s THR 45 Ca 0.00 -1.17 0.28 0.00 -1.21 0.00 0.00 61.69 59.59 1rkw s THR 45 Cb 0.00 -1.67 0.48 0.00 -1.51 0.00 0.00 72.50 69.80 1rkw s THR 45 CO 0.00 0.46 1.77 0.50 -2.21 0.00 0.00 174.62 175.14 1rkw h LYS 46 N 5.23 0.18 -0.29 7.08 3.64 -1.95 1.06 116.57 131.52 1rkw h LYS 46 Ca -0.43 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.86 1rkw h LYS 46 Cb 1.13 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1rkw h LYS 46 CO 0.46 0.12 -0.14 1.05 -2.27 0.00 0.00 179.45 178.67 1rkw h GLU 47 N 0.18 0.49 0.14 1.90 -0.00 -1.95 -2.30 114.58 113.05 1rkw h GLU 47 Ca 0.60 -0.15 -0.28 0.00 -0.00 0.00 0.00 59.36 59.54 1rkw h GLU 47 Cb 1.97 -0.05 0.01 0.00 -0.00 0.00 0.00 28.75 30.68 1rkw h GLU 47 CO -0.17 0.62 -1.27 -0.97 -0.00 0.00 0.00 179.01 177.22 1rkw h ASN 48 N 0.45 0.45 -0.83 3.06 -1.24 0.85 -2.64 115.58 115.68 1rkw h ASN 48 Ca 0.08 -0.49 0.07 0.00 0.71 0.00 0.00 56.30 56.68 1rkw h ASN 48 Cb 0.51 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.36 1rkw h ASN 48 CO 0.03 1.38 0.54 0.25 -1.29 0.00 0.00 177.43 178.35 1rkw h LEU 49 N 0.08 0.79 -0.10 0.34 5.85 -1.01 -0.42 115.31 120.83 1rkw h LEU 49 Ca -0.15 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1rkw h LEU 49 Cb 1.99 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 1rkw h LEU 49 CO 0.21 0.50 -0.08 0.15 -0.34 0.00 0.00 178.44 178.88 1rkw h PHE 50 N 0.89 0.28 -0.17 1.25 3.04 -1.37 -0.93 116.94 119.92 1rkw h PHE 50 Ca 0.37 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.23 1rkw h PHE 50 Cb 0.27 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 1rkw h PHE 50 CO -0.00 0.62 0.08 -0.07 -2.02 0.00 0.00 178.31 176.92 1rkw h LEU 51 N -0.15 0.20 0.05 0.59 3.38 -1.03 0.22 115.31 118.58 1rkw h LEU 51 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rkw h LEU 51 Cb 0.56 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1rkw h LEU 51 CO 0.02 0.18 -0.02 -0.08 0.09 0.00 0.00 178.44 178.62 1rkw h GLU 52 N 0.23 -0.07 -0.97 1.13 4.81 -0.89 -1.43 114.58 117.39 1rkw h GLU 52 Ca 0.06 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.43 1rkw h GLU 52 Cb 0.03 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 1rkw h GLU 52 CO -0.01 0.30 0.61 0.82 -0.73 0.00 0.00 179.01 180.01 1rkw h ILE 53 N -0.44 0.87 -0.66 2.32 2.04 -0.45 -0.89 117.51 120.29 1rkw h ILE 53 Ca -0.01 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1rkw h ILE 53 Cb 0.40 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1rkw h ILE 53 CO 0.01 0.16 0.27 0.25 0.00 0.00 0.00 178.15 178.84 1rkw h LEU 54 N 0.88 0.91 -0.32 1.44 5.85 -0.22 -1.95 115.31 121.89 1rkw h LEU 54 Ca 0.50 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 1rkw h LEU 54 Cb 0.61 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1rkw h LEU 54 CO -0.26 0.83 0.08 0.78 -0.34 0.00 0.00 178.44 179.53 1rkw h ASN 55 N 0.94 0.49 0.00 1.25 2.35 -0.09 -1.07 115.58 119.44 1rkw h ASN 55 Ca 0.22 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1rkw h ASN 55 Cb 0.20 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1rkw h ASN 55 CO -0.02 0.59 -0.03 0.40 -1.65 0.00 0.00 177.43 176.72 1rkw h ILE 56 N 0.37 0.00 -1.05 2.81 1.08 -1.12 0.19 117.51 119.78 1rkw h ILE 56 Ca 0.10 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.85 1rkw h ILE 56 Cb 0.29 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.92 1rkw h ILE 56 CO 0.00 0.00 0.65 -0.33 -0.69 0.00 0.00 178.15 177.78 1rkw h GLU 57 N -0.04 0.41 0.43 2.37 4.39 -1.41 0.48 114.58 121.21 1rkw h GLU 57 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1rkw h GLU 57 Cb 0.04 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1rkw h GLU 57 CO -0.02 0.27 -0.21 1.49 -1.16 0.00 0.00 179.01 179.38 1rkw h GLU 58 N 0.42 -0.56 0.00 2.33 4.22 -0.40 -2.25 114.58 118.35 1rkw h GLU 58 Ca 0.64 0.04 -0.15 0.00 0.08 0.00 0.00 59.36 59.98 1rkw h GLU 58 Cb 1.53 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.89 1rkw h GLU 58 CO -0.39 -0.31 -0.69 0.66 -2.18 0.00 0.00 179.01 176.09 1rkw h SER 59 N -0.69 0.00 0.13 1.04 4.64 0.90 -1.06 113.55 118.51 1rkw h SER 59 Ca -0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1rkw h SER 59 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1rkw h SER 59 CO 0.10 0.69 -0.08 0.11 -0.87 0.00 0.00 176.83 176.77 1rkw h LYS 60 N 0.00 0.00 0.06 4.77 1.79 -0.08 -0.57 116.57 122.54 1rkw h LYS 60 Ca -0.01 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 1rkw h LYS 60 Cb 1.23 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.85 1rkw h LYS 60 CO 0.09 0.08 -1.85 1.87 -1.08 0.00 0.00 179.45 178.56 1rkw n TRP 61 N -4.10 1.12 0.52 -1.35 -0.00 -0.85 -2.94 117.44 109.83 1rkw n TRP 61 Ca -0.03 0.31 0.12 0.00 -0.00 0.00 0.00 57.50 57.91 1rkw n TRP 61 Cb 0.17 -1.17 0.46 0.00 -0.00 0.00 0.00 31.31 30.76 1rkw n TRP 61 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 1rkw n GLN 62 N -3.25 0.19 -0.04 5.87 7.27 -0.43 -2.62 117.38 124.37 1rkw n GLN 62 Ca -0.24 0.31 -0.22 0.00 0.07 0.00 0.00 57.00 56.93 1rkw n GLN 62 Cb 1.05 -1.79 -0.13 0.00 2.41 0.00 0.00 30.24 31.78 1rkw n GLN 62 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1rkw h GLU 63 N 0.00 0.16 0.00 3.69 4.81 -1.23 -2.97 114.58 119.04 1rkw h GLU 63 Ca 0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1rkw h GLU 63 Cb 0.48 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1rkw h GLU 63 CO 0.00 1.13 0.00 0.37 -0.73 0.00 0.00 179.01 179.78 1rkw h GLN 64 N -0.43 0.00 0.01 1.92 4.15 -1.47 -2.02 115.11 117.27 1rkw h GLN 64 Ca -0.37 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 58.71 1rkw h GLN 64 Cb 1.69 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.32 1rkw h GLN 64 CO -0.04 0.00 -2.09 1.87 -1.93 0.00 0.00 178.83 176.64 1rkw n TRP 65 N -3.02 0.51 -0.23 3.99 -0.00 -1.08 -2.82 117.44 114.81 1rkw n TRP 65 Ca -0.02 0.17 0.01 0.00 -0.00 0.00 0.00 57.50 57.66 1rkw n TRP 65 Cb 0.12 -1.09 0.24 0.00 -0.00 0.00 0.00 31.31 30.59 1rkw n TRP 65 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1rkw h LYS 66 N 0.01 1.00 0.00 5.87 1.63 -1.20 -0.61 116.57 123.27 1rkw h LYS 66 Ca -0.44 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1rkw h LYS 66 Cb 2.10 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 33.51 1rkw h LYS 66 CO 0.04 0.66 0.00 1.63 -3.45 0.00 0.00 179.45 178.34 1rkw n LYS 67 N -4.42 0.00 -0.34 1.90 5.02 -0.97 -4.19 118.16 115.15 1rkw n LYS 67 Ca 0.09 0.36 0.15 0.00 -2.02 0.00 0.00 58.31 56.88 1rkw n LYS 67 Cb 0.04 -1.04 0.36 0.00 -0.02 0.00 0.00 35.03 34.37 1rkw n LYS 67 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1rkw h GLU 68 N 0.00 0.67 -0.17 1.97 5.08 -1.58 -2.88 114.58 117.67 1rkw h GLU 68 Ca 0.00 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1rkw h GLU 68 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1rkw h GLU 68 CO 0.00 0.44 0.72 0.37 -1.00 0.00 0.00 179.01 179.54 1rkw h GLN 69 N 0.69 0.00 -0.01 2.33 4.15 -1.27 -1.49 115.11 119.52 1rkw h GLN 69 Ca 0.58 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.91 1rkw h GLN 69 Cb 1.01 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1rkw h GLN 69 CO -0.37 0.00 -0.41 0.82 -1.93 0.00 0.00 178.83 176.94 1rkw h ILE 70 N 0.00 1.30 0.00 2.39 2.04 -1.71 -2.92 117.51 118.60 1rkw h ILE 70 Ca 0.08 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1rkw h ILE 70 Cb 1.51 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1rkw h ILE 70 CO -0.00 0.41 0.00 0.29 0.00 0.00 0.00 178.15 178.85 1rkw n LYS 71 N -4.04 0.20 -3.88 2.37 5.02 -0.56 -4.30 118.16 112.97 1rkw n LYS 71 Ca -0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 1rkw n LYS 71 Cb 0.44 -1.06 -0.16 0.00 -0.02 0.00 0.00 35.03 34.24 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 1.76 0.01 7.82 0.00 -1.11 -5.04 121.76 123.20 1rkw s ALA 72 Ca 0.01 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 50.58 1rkw s ALA 72 Cb 0.01 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 1rkw s ALA 72 CO 0.01 -1.27 0.92 1.57 0.00 0.00 0.00 175.76 176.99 1rkw h LYS 73 N 8.01 -0.30 -7.47 0.00 2.10 -1.87 -3.44 116.57 113.60 1rkw h LYS 73 Ca -0.16 0.02 -0.48 0.00 -2.00 0.00 0.00 60.65 58.03 1rkw h LYS 73 Cb 1.07 0.07 0.11 0.00 -0.90 0.00 0.00 32.23 32.58 1rkw h LYS 73 CO 0.41 -0.20 0.35 0.95 -2.00 0.00 0.00 179.45 178.96 1rkw s THR 74 N -3.29 2.66 -0.07 0.07 -4.23 -1.26 -4.95 115.64 104.57 1rkw s THR 74 Ca -0.05 0.21 0.13 0.00 -1.18 0.00 0.00 61.69 60.81 1rkw s THR 74 Cb 0.00 -3.03 -0.06 0.00 1.34 0.00 0.00 72.50 70.75 1rkw s THR 74 CO 0.14 -0.28 1.24 0.78 -0.54 0.00 0.00 174.62 175.95 1rkw h ASN 75 N -1.15 0.00 -0.40 3.99 4.21 -1.91 -2.52 115.58 117.81 1rkw h ASN 75 Ca -0.48 0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.13 1rkw h ASN 75 Cb 1.29 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.48 1rkw h ASN 75 CO 0.62 0.67 0.28 -0.09 -1.29 0.00 0.00 177.43 177.62 1rkw h ARG 76 N 0.00 0.08 0.18 0.81 2.43 -1.94 -0.44 114.38 115.51 1rkw h ARG 76 Ca -0.05 -0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.80 1rkw h ARG 76 Cb 1.56 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 31.11 1rkw h ARG 76 CO 0.08 0.05 -1.47 0.93 -1.51 0.00 0.00 179.97 178.05 1rkw h GLU 77 N 0.08 0.39 -0.07 0.20 5.08 -1.88 -2.90 114.58 115.48 1rkw h GLU 77 Ca 0.19 -0.66 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1rkw h GLU 77 Cb 0.64 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1rkw h GLU 77 CO -0.02 1.30 -0.06 0.87 -1.00 0.00 0.00 179.01 180.10 1rkw h LYS 78 N 0.11 0.10 0.42 2.33 1.57 -0.81 -0.40 116.57 119.89 1rkw h LYS 78 Ca -0.23 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1rkw h LYS 78 Cb 2.08 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.37 1rkw h LYS 78 CO 0.22 0.17 -0.20 0.35 -0.57 0.00 0.00 179.45 179.41 1rkw h PHE 79 N 0.10 -0.53 -0.88 -1.35 3.57 -1.13 0.19 116.94 116.91 1rkw h PHE 79 Ca 0.02 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.68 1rkw h PHE 79 Cb 0.17 0.17 -0.10 0.00 2.79 0.00 0.00 35.95 38.98 1rkw h PHE 79 CO 0.00 -0.24 0.44 1.88 -2.23 0.00 0.00 178.31 178.16 1rkw h TYR 80 N -1.06 0.76 -0.12 0.41 0.05 -1.35 -2.48 116.97 113.18 1rkw h TYR 80 Ca -0.06 0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 1rkw h TYR 80 Cb 0.53 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1rkw h TYR 80 CO 0.02 0.12 -0.31 1.25 -1.05 0.00 0.00 178.16 178.19 1rkw h LEU 81 N 0.57 0.48 -0.04 3.88 5.85 -1.05 -2.40 115.31 122.61 1rkw h LEU 81 Ca 0.50 -0.58 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1rkw h LEU 81 Cb 0.79 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1rkw h LEU 81 CO -0.41 0.98 -0.26 0.22 -0.34 0.00 0.00 178.44 178.63 1rkw h TYR 82 N 0.01 -0.69 -0.86 1.25 3.20 -0.18 0.10 116.97 119.80 1rkw h TYR 82 Ca -0.00 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1rkw h TYR 82 Cb 0.91 0.31 -0.05 0.00 1.54 0.00 0.00 36.73 39.44 1rkw h TYR 82 CO 0.11 -0.35 0.57 -0.91 -1.64 0.00 0.00 178.16 175.94 1rkw h ASN 83 N -0.38 0.92 0.28 -2.11 -0.26 -1.54 -0.13 115.58 112.36 1rkw h ASN 83 Ca 0.07 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1rkw h ASN 83 Cb 0.48 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1rkw h ASN 83 CO -0.25 0.62 -0.13 -0.33 -1.06 0.00 0.00 177.43 176.28 1rkw h GLU 84 N 1.06 -0.36 -0.97 0.81 5.08 -0.86 -3.10 114.58 116.23 1rkw h GLU 84 Ca 0.35 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.89 1rkw h GLU 84 Cb 0.06 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 1rkw h GLU 84 CO -0.11 -0.08 0.58 -0.07 -1.00 0.00 0.00 179.01 178.33 1rkw h LEU 85 N -0.63 0.78 -1.98 1.33 3.38 -0.30 -1.23 115.31 116.66 1rkw h LEU 85 Ca -0.04 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.18 1rkw h LEU 85 Cb 0.45 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1rkw h LEU 85 CO 0.06 0.33 0.49 0.28 0.09 0.00 0.00 178.44 179.69 1rkw h SER 86 N 0.81 0.00 0.85 -0.43 0.02 -0.95 0.34 113.55 114.19 1rkw h SER 86 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1rkw h SER 86 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1rkw h SER 86 CO -0.34 0.00 -0.17 0.18 -1.14 0.00 0.00 176.83 175.36 1rkw n LEU 87 N -4.00 0.19 0.00 5.07 4.77 -0.46 -4.21 117.00 118.35 1rkw n LEU 87 Ca 0.11 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1rkw n LEU 87 Cb 0.71 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1rkw n LEU 87 CO 0.32 0.04 -0.43 0.35 -1.33 0.00 0.00 177.39 176.34 1rkw n THR 88 N -1.52 0.00 -1.10 -5.08 -2.24 0.10 -5.05 114.28 99.39 1rkw n THR 88 Ca 0.06 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.50 1rkw n THR 88 Cb 0.34 0.32 0.10 0.00 -2.10 0.00 0.00 70.33 68.98 1rkw n THR 88 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1rkw n THR 89 N -1.32 1.37 1.07 4.28 5.66 -0.11 -4.87 114.28 120.36 1rkw n THR 89 Ca 0.00 -0.30 0.12 0.00 -3.05 0.00 0.00 64.05 60.81 1rkw n THR 89 Cb 0.04 -0.80 0.16 0.00 -1.55 0.00 0.00 70.33 68.17 1rkw n THR 89 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1rkw n GLU 90 N -1.51 0.50 -3.76 1.09 0.28 -1.26 -4.91 120.64 111.07 1rkw n GLU 90 Ca 0.10 -0.35 -0.33 0.00 -0.16 0.00 0.00 57.16 56.42 1rkw n GLU 90 Cb 0.51 -1.49 -0.05 0.00 1.43 0.00 0.00 31.44 31.84 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 -2.75 3.54 0.00 -1.84 1.51 -1.26 -4.74 117.35 111.81 1rkw s TYR 91 Ca 0.16 0.52 0.00 0.00 -1.01 0.00 0.00 57.07 56.74 1rkw s TYR 91 Cb 0.18 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1rkw s TYR 91 CO 0.66 0.56 0.00 0.98 -1.11 0.00 0.00 175.55 176.64 1rkw n TYR 92 N 0.70 0.00 -0.48 2.71 4.19 -1.26 -4.29 117.16 118.74 1rkw n TYR 92 Ca -0.08 0.00 0.41 0.00 3.31 0.00 0.00 57.90 61.54 1rkw n TYR 92 Cb 0.52 0.00 0.75 0.00 0.49 0.00 0.00 39.34 41.10 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 0.13 0.00 2.98 0.05 -1.91 0.86 116.97 119.08 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 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.71 1rkw h TYR 93 CO 0.00 -0.03 0.00 -2.30 -1.05 0.00 0.00 178.16 174.78 1rkw n PRO 94 N -4.20 0.05 -0.03 4.88 -0.02 -1.26 -2.79 135.00 131.63 1rkw n PRO 94 Ca 0.34 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 1rkw n PRO 94 Cb 1.53 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 33.66 1rkw n PRO 94 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rkw n LEU 95 N -1.46 2.96 -0.26 2.45 4.77 0.30 -4.58 117.00 121.18 1rkw n LEU 95 Ca 0.05 -1.04 0.24 0.00 -0.03 0.00 0.00 56.01 55.23 1rkw n LEU 95 Cb 0.18 -0.04 0.59 0.00 -2.33 0.00 0.00 43.42 41.82 1rkw n LEU 95 CO 0.15 0.52 1.24 -0.61 -1.33 0.00 0.00 177.39 177.36 1rkw h GLN 96 N 4.50 0.25 0.18 3.23 5.75 -1.62 0.28 115.11 127.69 1rkw h GLN 96 Ca 0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1rkw h GLN 96 Cb 0.96 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.45 1rkw h GLN 96 CO 0.00 0.17 -0.09 -0.97 -2.65 0.00 0.00 178.83 175.29 1rkw h ASN 97 N 0.26 -0.21 -0.45 -0.69 -0.73 -1.86 -1.13 115.58 110.76 1rkw h ASN 97 Ca 0.50 -0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.49 1rkw h ASN 97 Cb 1.51 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 40.13 1rkw h ASN 97 CO -0.15 0.05 0.22 0.00 -0.37 0.00 0.00 177.43 177.18 1rkw h ALA 98 N 0.30 0.59 -0.57 1.57 0.00 -1.36 -1.53 119.26 118.25 1rkw h ALA 98 Ca -0.03 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1rkw h ALA 98 Cb 0.36 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1rkw h ALA 98 CO 0.04 0.14 0.31 0.82 0.00 0.00 0.00 179.25 180.56 1rkw h ILE 99 N 0.59 0.98 0.34 0.00 2.04 -0.42 0.38 117.51 121.43 1rkw h ILE 99 Ca 0.16 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1rkw h ILE 99 Cb 0.11 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1rkw h ILE 99 CO -0.02 0.11 -0.20 0.40 0.00 0.00 0.00 178.15 178.43 1rkw h ILE 100 N 0.59 0.00 -0.95 -0.67 2.04 -1.00 -0.25 117.51 117.28 1rkw h ILE 100 Ca 0.25 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.29 1rkw h ILE 100 Cb 0.13 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.03 1rkw h ILE 100 CO -0.15 0.00 -0.27 -0.62 0.00 0.00 0.00 178.15 177.11 1rkw n GLU 101 N -3.54 -0.12 0.40 2.37 1.02 -0.60 -1.34 120.64 118.83 1rkw n GLU 101 Ca -0.06 1.48 -0.18 0.00 -0.02 0.00 0.00 57.16 58.38 1rkw n GLU 101 Cb 0.21 -2.20 -0.09 0.00 -0.02 0.00 0.00 31.44 29.34 1rkw n GLU 101 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1rkw h PHE 102 N 0.00 -0.93 -1.00 -0.32 3.04 -0.85 -2.96 116.94 113.92 1rkw h PHE 102 Ca 0.43 -0.02 0.18 0.00 3.98 0.00 0.00 57.97 62.53 1rkw h PHE 102 Cb 0.67 0.31 -0.10 0.00 2.56 0.00 0.00 35.95 39.38 1rkw h PHE 102 CO -0.75 -0.56 0.62 -0.92 -2.02 0.00 0.00 178.31 174.67 1rkw h TYR 103 N -1.10 1.04 -0.08 0.41 5.03 0.27 0.23 116.97 122.76 1rkw h TYR 103 Ca -0.10 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.17 1rkw h TYR 103 Cb 0.79 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 1rkw h TYR 103 CO -0.01 0.27 -0.27 1.79 -1.32 0.00 0.00 178.16 178.62 1rkw h THR 104 N 0.78 1.23 0.00 1.81 1.35 -1.29 0.23 112.91 117.02 1rkw h THR 104 Ca 0.55 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1rkw h THR 104 Cb 0.85 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1rkw h THR 104 CO -0.34 0.32 0.00 -0.08 -0.25 0.00 0.00 175.52 175.17 1rkw h GLU 105 N 0.13 0.00 0.00 4.72 4.81 -0.40 -3.37 114.58 120.47 1rkw h GLU 105 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1rkw h GLU 105 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1rkw h GLU 105 CO 0.04 0.00 -0.10 0.66 -0.73 0.00 0.00 179.01 178.88 1rkw n TYR 106 N -2.63 0.00 0.25 0.92 4.01 -0.83 -4.79 117.16 114.10 1rkw n TYR 106 Ca 0.04 -0.17 0.12 0.00 -0.16 0.00 0.00 57.90 57.72 1rkw n TYR 106 Cb 0.39 -0.03 0.68 0.00 -0.31 0.00 0.00 39.34 40.07 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 0.36 -0.72 -0.00 -1.13 -3.14 116.97 112.34 1rkw h TYR 107 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 1rkw h TYR 107 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.72 1rkw h TYR 107 CO 0.02 0.14 -0.17 -0.22 -0.00 0.00 0.00 178.16 177.93 1rkw h LYS 108 N 0.00 -0.46 -5.23 0.10 1.63 -1.86 -3.41 116.57 107.33 1rkw h LYS 108 Ca -0.00 0.03 -0.37 0.00 -0.85 0.00 0.00 60.65 59.46 1rkw h LYS 108 Cb 0.39 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.08 1rkw h LYS 108 CO 0.02 -0.31 1.48 2.41 -3.45 0.00 0.00 179.45 179.60 1rkw n THR 109 N -4.18 -0.03 -0.02 1.00 -1.04 -1.19 -4.75 114.28 104.09 1rkw n THR 109 Ca -0.06 -0.42 0.23 0.00 -2.04 0.00 0.00 64.05 61.76 1rkw n THR 109 Cb 0.19 -1.32 0.72 0.00 -1.82 0.00 0.00 70.33 68.10 1rkw n THR 109 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1rkw h ASN 110 N 14.13 0.00 0.50 8.00 -1.24 -1.83 -2.63 115.58 132.52 1rkw h ASN 110 Ca -0.08 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 1rkw h ASN 110 Cb 1.21 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.24 1rkw h ASN 110 CO 1.31 0.00 -0.46 -1.28 -1.29 0.00 0.00 177.43 175.71 1rkw h SER 111 N 0.00 -1.24 0.14 1.15 0.87 -1.91 -2.81 113.55 109.74 1rkw h SER 111 Ca 0.29 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.95 1rkw h SER 111 Cb 1.38 0.40 -0.03 0.00 -0.44 0.00 0.00 62.40 63.71 1rkw h SER 111 CO -0.00 -0.62 -0.21 0.40 -0.53 0.00 0.00 176.83 175.86 1rkw h ILE 112 N -0.95 0.53 -1.08 2.23 1.08 -1.76 -2.47 117.51 115.09 1rkw h ILE 112 Ca -0.06 0.00 0.31 0.00 -0.39 0.00 0.00 64.86 64.72 1rkw h ILE 112 Cb 0.81 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 1rkw h ILE 112 CO -0.03 0.00 1.07 -1.13 -0.69 0.00 0.00 178.15 177.37 1rkw h ASN 113 N -0.41 0.00 0.05 1.72 -1.24 -1.42 0.31 115.58 114.60 1rkw h ASN 113 Ca 0.02 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 1rkw h ASN 113 Cb 0.42 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1rkw h ASN 113 CO -0.10 0.00 -0.03 -0.33 -1.29 0.00 0.00 177.43 175.68 1rkw h GLU 114 N 0.00 -0.07 -0.56 6.67 5.08 -1.18 -2.65 114.58 121.87 1rkw h GLU 114 Ca 0.51 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.90 1rkw h GLU 114 Cb 2.65 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.88 1rkw h GLU 114 CO -0.01 0.53 0.36 0.87 -1.00 0.00 0.00 179.01 179.76 1rkw h LYS 115 N -0.76 0.69 -0.84 2.33 1.57 -0.48 0.89 116.57 119.97 1rkw h LYS 115 Ca -0.01 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1rkw h LYS 115 Cb 0.63 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 1rkw h LYS 115 CO 0.01 0.46 0.55 0.52 -0.57 0.00 0.00 179.45 180.42 1rkw h MET 116 N 0.71 1.07 -0.52 3.15 2.86 -1.40 0.37 114.93 121.17 1rkw h MET 116 Ca 0.22 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 1rkw h MET 116 Cb -0.02 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.38 1rkw h MET 116 CO -0.08 0.70 -0.03 -0.97 1.06 0.00 0.00 176.91 177.60 1rkw h ASN 117 N 1.10 0.93 0.00 1.22 -1.24 -1.01 0.39 115.58 116.97 1rkw h ASN 117 Ca 0.32 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1rkw h ASN 117 Cb -0.06 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.74 1rkw h ASN 117 CO -0.09 1.03 0.00 1.17 -1.29 0.00 0.00 177.43 178.25 1rkw n LYS 118 N -4.26 0.00 -0.31 6.67 4.81 0.25 -1.27 118.16 124.05 1rkw n LYS 118 Ca 0.01 0.63 0.14 0.00 -0.87 0.00 0.00 58.31 58.23 1rkw n LYS 118 Cb 0.35 -1.47 0.31 0.00 0.02 0.00 0.00 35.03 34.23 1rkw n LYS 118 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1rkw h LEU 119 N 0.00 -0.11 -1.79 3.14 3.38 -0.89 0.32 115.31 119.37 1rkw h LEU 119 Ca 0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1rkw h LEU 119 Cb 0.00 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1rkw h LEU 119 CO 0.00 -0.23 0.00 -0.08 0.09 0.00 0.00 178.44 178.22 1rkw h GLU 120 N 0.14 0.00 0.00 1.13 4.22 0.23 -2.19 114.58 118.10 1rkw h GLU 120 Ca 0.58 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.86 1rkw h GLU 120 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1rkw h GLU 120 CO -0.73 0.00 -1.16 -0.91 -2.18 0.00 0.00 179.01 174.04 1rkw h ASN 121 N 0.00 0.00 0.81 1.04 2.35 0.10 -2.98 115.58 116.91 1rkw h ASN 121 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1rkw h ASN 121 Cb 0.30 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.68 1rkw h ASN 121 CO 0.00 0.61 -0.39 0.11 -1.65 0.00 0.00 177.43 176.11 1rkw h LYS 122 N 0.00 -1.05 -0.46 0.81 1.57 -1.22 -1.05 116.57 115.16 1rkw h LYS 122 Ca -0.12 0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1rkw h LYS 122 Cb 1.57 0.24 -0.06 0.00 0.08 0.00 0.00 32.23 34.06 1rkw h LYS 122 CO 0.06 -0.69 -0.33 -0.92 -0.57 0.00 0.00 179.45 177.00 1rkw h TYR 123 N -1.17 -1.04 0.00 -1.35 3.20 -1.58 0.11 116.97 115.14 1rkw h TYR 123 Ca -0.11 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1rkw h TYR 123 Cb 0.85 0.52 -0.00 0.00 1.54 0.00 0.00 36.73 39.63 1rkw h TYR 123 CO -0.01 -0.23 -0.02 0.82 -1.64 0.00 0.00 178.16 177.08 1rkw h ILE 124 N -0.07 0.28 -0.70 1.81 1.08 -1.53 -3.19 117.51 115.19 1rkw h ILE 124 Ca 0.07 -0.14 0.13 0.00 -0.39 0.00 0.00 64.86 64.54 1rkw h ILE 124 Cb 0.27 1.10 -0.13 0.00 -3.07 0.00 0.00 36.82 34.99 1rkw h ILE 124 CO -0.47 0.02 -0.23 -0.78 -0.69 0.00 0.00 178.15 176.00 1rkw h ASP 125 N 0.00 -0.84 -0.71 1.72 -0.00 0.61 -1.27 116.42 115.92 1rkw h ASP 125 Ca -0.00 0.22 0.16 0.00 -0.00 0.00 0.00 57.03 57.41 1rkw h ASP 125 Cb 0.10 0.50 -0.12 0.00 -0.00 0.00 0.00 39.33 39.80 1rkw h ASP 125 CO 0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 179.24 178.96 1rkw h ALA 126 N 1.51 0.70 -0.15 -0.78 0.00 -1.63 0.30 119.26 119.20 1rkw h ALA 126 Ca 0.32 0.23 -0.11 0.00 0.00 0.00 0.00 54.91 55.35 1rkw h ALA 126 Cb 0.54 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1rkw h ALA 126 CO -0.74 -0.41 -0.38 1.88 0.00 0.00 0.00 179.25 179.60 1rkw h TYR 127 N 0.09 0.39 -0.16 0.00 0.05 -1.46 -2.16 116.97 113.71 1rkw h TYR 127 Ca 0.38 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 59.05 1rkw h TYR 127 Cb 0.64 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 1rkw h TYR 127 CO -0.43 0.67 0.06 1.25 -1.05 0.00 0.00 178.16 178.67 1rkw h HIS 128 N 0.28 0.25 0.61 4.88 2.76 -0.18 -0.38 115.15 123.37 1rkw h HIS 128 Ca 0.03 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1rkw h HIS 128 Cb 0.80 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1rkw h HIS 128 CO 0.02 0.33 -0.48 0.28 -1.30 0.00 0.00 177.93 176.78 1rkw h VAL 129 N 0.11 0.05 -0.74 5.26 2.07 -0.47 0.42 116.25 122.95 1rkw h VAL 129 Ca 0.05 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.73 1rkw h VAL 129 Cb 0.18 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 29.89 1rkw h VAL 129 CO -0.00 0.00 0.20 0.40 0.02 0.00 0.00 177.57 178.18 1rkw h ILE 130 N -1.06 0.53 -0.00 4.57 2.04 -1.35 -0.31 117.51 121.93 1rkw h ILE 130 Ca -0.08 -0.10 -0.19 0.00 1.00 0.00 0.00 64.86 65.50 1rkw h ILE 130 Cb 0.89 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1rkw h ILE 130 CO 0.01 0.05 -0.84 -0.26 0.00 0.00 0.00 178.15 177.11 1rkw h PHE 131 N 0.29 0.25 0.24 1.37 0.04 -0.69 -1.30 116.94 117.13 1rkw h PHE 131 Ca 0.42 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 61.04 1rkw h PHE 131 Cb 0.70 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1rkw h PHE 131 CO -0.25 0.93 -0.11 -0.22 -0.60 0.00 0.00 178.31 178.06 1rkw h LYS 132 N 0.10 -0.31 -0.96 1.51 3.64 0.63 -2.24 116.57 118.94 1rkw h LYS 132 Ca -0.04 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.61 1rkw h LYS 132 Cb 1.46 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.29 1rkw h LYS 132 CO 0.13 -0.20 0.65 0.93 -2.27 0.00 0.00 179.45 178.68 1rkw h GLU 133 N -0.39 0.26 -0.06 1.90 4.39 -1.20 0.10 114.58 119.58 1rkw h GLU 133 Ca -0.03 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.67 1rkw h GLU 133 Cb 0.24 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1rkw h GLU 133 CO 0.05 0.17 -0.04 0.78 -1.16 0.00 0.00 179.01 178.82 1rkw h GLY 134 N 0.27 0.02 1.01 -3.84 0.00 -1.12 -1.67 103.07 97.73 1rkw h GLY 134 Ca 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 1rkw h GLY 134 CO -0.15 -0.05 0.42 3.43 0.00 0.00 0.00 176.54 180.20 1rkw h ASN 135 N -0.04 0.93 0.00 0.19 2.35 -0.21 -1.21 115.58 117.59 1rkw h ASN 135 Ca 0.04 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1rkw h ASN 135 Cb 0.09 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1rkw h ASN 135 CO -0.09 0.75 0.00 0.18 -1.65 0.00 0.00 177.43 176.62 1rkw n LEU 136 N -4.47 1.92 0.00 1.61 4.77 -0.58 -0.92 117.00 119.33 1rkw n LEU 136 Ca 0.07 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1rkw n LEU 136 Cb 0.08 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1rkw n LEU 136 CO 0.38 0.34 0.05 0.59 -1.33 0.00 0.00 177.39 177.42 1rkw n ASN 137 N 0.47 0.00 -3.49 -1.43 4.13 -0.82 -4.97 115.26 109.15 1rkw n ASN 137 Ca 0.00 -1.00 -0.26 0.00 1.68 0.00 0.00 54.58 55.00 1rkw n ASN 137 Cb 0.34 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.60 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 0.00 -0.51 0.04 7.41 0.00 -0.10 -4.87 105.19 107.16 1rkw n GLY 138 Ca 0.00 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1rkw n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rkw n GLU 139 N -4.26 0.12 -3.61 1.61 1.02 -0.52 -4.94 120.64 110.06 1rkw n GLU 139 Ca -0.02 0.06 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1rkw n GLU 139 Cb 0.56 -1.60 -0.01 0.00 -0.02 0.00 0.00 31.44 30.36 1rkw n GLU 139 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1rkw s TRP 140 N -3.06 -0.06 -0.35 -0.32 -2.14 -1.26 -5.03 118.94 106.72 1rkw s TRP 140 Ca 0.11 0.00 0.02 0.00 2.66 0.00 0.00 56.10 58.89 1rkw s TRP 140 Cb 0.16 0.52 0.10 0.00 -3.10 0.00 0.00 33.47 31.15 1rkw s TRP 140 CO 0.64 -0.17 0.07 -1.12 -2.66 0.00 0.00 176.95 173.70 1rkw s SER 141 N -2.58 4.85 -0.25 -2.66 0.01 -1.26 -4.27 113.70 107.55 1rkw s SER 141 Ca 0.12 -2.04 -0.00 0.00 1.31 0.00 0.00 55.95 55.34 1rkw s SER 141 Cb 0.03 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.62 1rkw s SER 141 CO -0.04 -0.40 -0.08 -0.63 0.41 0.00 0.00 173.24 172.50 1rkw s ILE 142 N 0.98 2.66 0.01 1.44 1.01 -1.26 -4.78 121.20 121.26 1rkw s ILE 142 Ca 0.08 -1.17 -0.11 0.00 0.00 0.00 0.00 60.65 59.45 1rkw s ILE 142 Cb -0.20 -2.38 -0.06 0.00 0.01 0.00 0.00 42.46 39.83 1rkw s ILE 142 CO -0.07 0.17 1.06 0.78 0.00 0.00 0.00 174.94 176.88 1rkw h ASN 143 N 7.96 -0.35 -2.75 3.58 -0.26 -1.99 -3.39 115.58 118.37 1rkw h ASN 143 Ca -0.31 0.01 -0.67 0.00 -0.56 0.00 0.00 56.30 54.78 1rkw h ASN 143 Cb 1.09 0.09 -0.17 0.00 -1.06 0.00 0.00 38.32 38.27 1rkw h ASN 143 CO 0.56 -0.23 0.39 1.51 -1.06 0.00 0.00 177.43 178.60 1rkw s ASP 144 N -2.81 6.24 0.06 5.81 3.84 -1.26 -4.92 116.67 123.63 1rkw s ASP 144 Ca -0.06 -1.32 -0.06 0.00 -0.00 0.00 0.00 52.55 51.10 1rkw s ASP 144 Cb 0.01 -2.36 -0.30 0.00 -1.38 0.00 0.00 42.92 38.89 1rkw s ASP 144 CO 0.18 -1.25 1.09 0.58 -0.00 0.00 0.00 175.17 175.77 1rkw h VAL 145 N 5.91 1.43 -0.25 2.11 2.07 -2.00 -3.09 116.25 122.44 1rkw h VAL 145 Ca -0.23 -2.98 -0.11 0.00 0.82 0.00 0.00 66.70 64.20 1rkw h VAL 145 Cb 1.07 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.78 1rkw h VAL 145 CO 1.13 0.87 -0.29 0.78 0.02 0.00 0.00 177.57 180.08 1rkw h ASN 146 N 0.09 0.52 -0.25 0.57 4.21 -1.98 0.37 115.58 119.11 1rkw h ASN 146 Ca -0.17 -0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.14 1rkw h ASN 146 Cb 2.01 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 39.06 1rkw h ASN 146 CO 0.21 0.79 0.12 0.00 -1.29 0.00 0.00 177.43 177.27 1rkw h ALA 147 N 1.24 0.32 -0.33 -0.83 0.00 -1.99 0.41 119.26 118.09 1rkw h ALA 147 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1rkw h ALA 147 Cb 0.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1rkw h ALA 147 CO 0.06 -0.12 -0.27 0.28 0.00 0.00 0.00 179.25 179.19 1rkw h VAL 148 N 0.27 1.29 -0.65 0.00 2.07 -1.44 -0.46 116.25 117.34 1rkw h VAL 148 Ca 0.09 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.21 1rkw h VAL 148 Cb 0.11 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1rkw h VAL 148 CO -0.01 0.46 0.43 0.28 0.02 0.00 0.00 177.57 178.75 1rkw h SER 149 N 0.53 0.66 -0.00 0.57 0.02 -0.76 0.27 113.55 114.84 1rkw h SER 149 Ca 0.06 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 1rkw h SER 149 Cb 0.84 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.23 1rkw h SER 149 CO 0.07 0.45 -0.38 0.50 -1.14 0.00 0.00 176.83 176.34 1rkw h LYS 150 N 0.77 0.26 -0.74 3.45 3.64 -0.66 -2.62 116.57 120.66 1rkw h LYS 150 Ca 0.26 -0.28 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1rkw h LYS 150 Cb 0.08 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1rkw h LYS 150 CO -0.07 0.99 0.38 0.82 -2.27 0.00 0.00 179.45 179.29 1rkw h ILE 151 N -0.36 0.85 0.13 2.00 2.04 -0.74 -1.14 117.51 120.29 1rkw h ILE 151 Ca -0.05 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1rkw h ILE 151 Cb 1.12 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1rkw h ILE 151 CO 0.07 0.12 -0.07 0.00 0.00 0.00 0.00 178.15 178.27 1rkw h ALA 152 N 1.44 -0.98 -0.83 1.87 0.00 -1.01 0.34 119.26 120.09 1rkw h ALA 152 Ca 0.36 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.43 1rkw h ALA 152 Cb 0.38 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.17 1rkw h ALA 152 CO -0.27 -0.97 0.01 0.00 0.00 0.00 0.00 179.25 178.01 1rkw h ALA 153 N -1.83 0.90 -0.34 0.00 0.00 -1.34 0.23 119.26 116.88 1rkw h ALA 153 Ca -0.02 0.27 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 1rkw h ALA 153 Cb 0.15 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1rkw h ALA 153 CO 0.02 -0.46 -0.41 -0.91 0.00 0.00 0.00 179.25 177.50 1rkw h ASN 154 N 0.08 0.89 -0.04 0.00 -0.26 -1.16 -1.11 115.58 113.98 1rkw h ASN 154 Ca 0.47 -0.41 -0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1rkw h ASN 154 Cb 0.87 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.87 1rkw h ASN 154 CO -0.75 1.18 0.01 0.00 -1.06 0.00 0.00 177.43 176.82 1rkw h ALA 155 N 0.85 0.06 -0.30 -0.83 0.00 0.92 -0.42 119.26 119.55 1rkw h ALA 155 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rkw h ALA 155 Cb 0.98 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1rkw h ALA 155 CO 0.09 -0.33 0.16 0.28 0.00 0.00 0.00 179.25 179.46 1rkw h VAL 156 N -0.13 1.12 -0.13 0.00 2.07 -0.62 -0.16 116.25 118.39 1rkw h VAL 156 Ca 0.01 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1rkw h VAL 156 Cb 0.22 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1rkw h VAL 156 CO -0.00 0.12 0.09 -1.13 0.02 0.00 0.00 177.57 176.67 1rkw h ASN 157 N 0.36 0.11 -0.24 0.57 -1.24 -1.15 0.66 115.58 114.65 1rkw h ASN 157 Ca 0.10 -0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.02 1rkw h ASN 157 Cb 0.05 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 1rkw h ASN 157 CO -0.02 0.08 -0.19 1.23 -1.29 0.00 0.00 177.43 177.24 1rkw h GLY 158 N 0.13 0.61 0.85 1.57 0.00 0.04 -0.49 103.07 105.78 1rkw h GLY 158 Ca 0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1rkw h GLY 158 CO -0.01 0.54 0.05 -2.22 0.00 0.00 0.00 176.54 174.90 1rkw h ILE 159 N 0.27 1.20 -0.15 2.60 2.04 0.11 -1.52 117.51 122.06 1rkw h ILE 159 Ca 0.05 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.30 1rkw h ILE 159 Cb 0.73 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1rkw h ILE 159 CO 0.05 0.20 -0.11 0.58 0.00 0.00 0.00 178.15 178.87 1rkw h VAL 160 N 0.11 0.68 0.00 1.67 2.07 0.21 -3.23 116.25 117.76 1rkw h VAL 160 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1rkw h VAL 160 Cb 0.27 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1rkw h VAL 160 CO 0.00 0.00 -0.19 0.35 0.02 0.00 0.00 177.57 177.75 1rkw n THR 161 N -5.26 0.33 -1.28 2.57 -2.24 -0.20 -4.03 114.28 104.18 1rkw n THR 161 Ca -0.03 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.56 1rkw n THR 161 Cb 0.18 -0.37 0.22 0.00 -2.10 0.00 0.00 70.33 68.25 1rkw n THR 161 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1rkw n PHE 162 N -1.96 1.20 -2.09 4.78 3.01 -0.58 -4.27 117.46 117.55 1rkw n PHE 162 Ca 0.05 -1.37 0.00 0.00 1.01 0.00 0.00 57.45 57.15 1rkw n PHE 162 Cb 0.40 -0.47 -0.00 0.00 -0.01 0.00 0.00 39.48 39.40 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 -0.91 0.00 0.29 4.37 -2.24 -1.24 -4.87 114.28 109.68 1rkw n THR 163 Ca 0.31 -0.17 0.16 0.00 -2.27 0.00 0.00 64.05 62.08 1rkw n THR 163 Cb 1.04 0.45 0.86 0.00 -2.10 0.00 0.00 70.33 70.58 1rkw n THR 163 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1rkw h HIS 164 N 0.17 0.00 -0.70 4.78 6.17 -1.74 -3.10 115.15 120.72 1rkw h HIS 164 Ca -0.09 0.00 0.15 0.00 0.71 0.00 0.00 60.37 61.13 1rkw h HIS 164 Cb 1.38 0.00 -0.13 0.00 2.52 0.00 0.00 27.41 31.18 1rkw h HIS 164 CO -0.02 0.06 -0.11 1.05 0.71 0.00 0.00 177.93 179.63 1rkw h GLU 165 N 0.00 0.04 0.00 5.26 4.11 -1.92 -3.46 114.58 118.61 1rkw h GLU 165 Ca -0.00 -0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 1rkw h GLU 165 Cb 0.23 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.49 1rkw h GLU 165 CO 0.01 0.02 -0.01 0.00 0.07 0.00 0.00 179.01 179.10 1rkw n GLN 166 N -5.41 0.68 -1.68 1.06 10.64 -1.17 -5.07 117.38 116.42 1rkw n GLN 166 Ca 0.10 -1.46 -0.48 0.00 -1.83 0.00 0.00 57.00 53.32 1rkw n GLN 166 Cb 0.39 -0.17 -0.05 0.00 -0.86 0.00 0.00 30.24 29.56 1rkw n GLN 166 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1rkw n ASN 167 N -2.74 3.31 0.29 2.61 4.05 -1.26 -4.91 115.26 116.62 1rkw n ASN 167 Ca 0.08 1.00 0.15 0.00 0.45 0.00 0.00 54.58 56.26 1rkw n ASN 167 Cb 0.29 -1.37 0.90 0.00 1.23 0.00 0.00 39.78 40.83 1rkw n ASN 167 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 1rkw h ILE 168 N 5.06 0.48 -0.37 -1.44 2.10 -1.95 -1.90 117.51 119.50 1rkw h ILE 168 Ca -0.48 -0.12 -0.14 0.00 1.08 0.00 0.00 64.86 65.20 1rkw h ILE 168 Cb 1.27 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 38.07 1rkw h ILE 168 CO 0.93 0.03 -0.34 0.78 -1.08 0.00 0.00 178.15 178.47 1rkw h ASN 169 N 0.00 0.87 -0.29 2.19 2.35 -1.99 -1.22 115.58 117.49 1rkw h ASN 169 Ca -0.00 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.32 1rkw h ASN 169 Cb 0.08 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1rkw h ASN 169 CO 0.00 1.13 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.80 1rkw h GLU 170 N 0.69 0.54 -0.61 0.81 4.22 -1.76 0.23 114.58 118.70 1rkw h GLU 170 Ca 0.07 -0.19 0.12 0.00 0.08 0.00 0.00 59.36 59.44 1rkw h GLU 170 Cb 0.90 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.01 1rkw h GLU 170 CO 0.08 0.71 0.05 0.00 -2.18 0.00 0.00 179.01 177.67 1rkw h ARG 171 N 0.32 0.16 0.00 1.92 3.08 -1.12 0.55 114.38 119.29 1rkw h ARG 171 Ca 0.08 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1rkw h ARG 171 Cb 0.49 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1rkw h ARG 171 CO 0.02 0.11 -0.42 0.82 -1.07 0.00 0.00 179.97 179.43 1rkw h ILE 172 N 0.17 1.27 0.04 2.04 2.04 -1.07 0.15 117.51 122.15 1rkw h ILE 172 Ca 0.32 -1.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 1rkw h ILE 172 Cb 0.51 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1rkw h ILE 172 CO -0.48 0.41 -0.02 0.50 0.00 0.00 0.00 178.15 178.56 1rkw h LYS 173 N 0.00 -0.05 -0.51 2.37 3.64 0.21 -2.02 116.57 120.21 1rkw h LYS 173 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1rkw h LYS 173 Cb 0.75 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1rkw h LYS 173 CO 0.05 0.30 0.25 -0.07 -2.27 0.00 0.00 179.45 177.72 1rkw h LEU 174 N -0.42 0.66 -0.76 5.20 3.38 -0.30 -2.07 115.31 121.00 1rkw h LEU 174 Ca -0.01 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1rkw h LEU 174 Cb 0.38 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1rkw h LEU 174 CO 0.01 0.59 0.46 -0.03 0.09 0.00 0.00 178.44 179.56 1rkw h MET 175 N 0.67 0.82 -0.63 1.13 4.05 -0.68 0.25 114.93 120.54 1rkw h MET 175 Ca 0.18 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.47 1rkw h MET 175 Cb 0.10 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 1rkw h MET 175 CO -0.02 0.54 0.08 -0.91 0.23 0.00 0.00 176.91 176.83 1rkw h ASN 176 N 0.84 1.01 -0.45 1.39 -0.26 -0.94 0.18 115.58 117.36 1rkw h ASN 176 Ca 0.33 -0.25 -0.07 0.00 -0.56 0.00 0.00 56.30 55.76 1rkw h ASN 176 Cb 0.16 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 1rkw h ASN 176 CO -0.17 1.02 0.02 0.50 -1.06 0.00 0.00 177.43 177.74 1rkw h LYS 177 N 0.98 0.78 0.08 0.81 3.11 -0.84 0.66 116.57 122.16 1rkw h LYS 177 Ca 0.19 -0.24 0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1rkw h LYS 177 Cb 0.45 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.59 1rkw h LYS 177 CO 0.02 0.83 -0.14 0.35 -2.81 0.00 0.00 179.45 177.69 1rkw h PHE 178 N 0.63 -0.37 -0.97 1.91 3.57 0.22 0.22 116.94 122.14 1rkw h PHE 178 Ca 0.13 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1rkw h PHE 178 Cb 0.47 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 1rkw h PHE 178 CO 0.04 -0.22 0.64 0.77 -2.23 0.00 0.00 178.31 177.31 1rkw h SER 179 N -0.28 1.08 0.63 0.41 0.02 -0.36 0.87 113.55 115.92 1rkw h SER 179 Ca 0.02 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1rkw h SER 179 Cb 0.30 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.59 1rkw h SER 179 CO -0.08 0.76 -0.30 -0.61 -1.14 0.00 0.00 176.83 175.46 1rkw h GLN 180 N 1.27 -0.82 -0.41 3.45 4.15 -0.27 -0.72 115.11 121.75 1rkw h GLN 180 Ca 0.37 0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.93 1rkw h GLN 180 Cb -0.08 0.19 -0.08 0.00 0.21 0.00 0.00 27.48 27.72 1rkw h GLN 180 CO -0.10 -0.55 -0.13 0.82 -1.93 0.00 0.00 178.83 176.95 1rkw h ILE 181 N -0.85 0.54 0.21 2.39 2.04 -0.46 -0.57 117.51 120.82 1rkw h ILE 181 Ca -0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1rkw h ILE 181 Cb 0.65 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1rkw h ILE 181 CO 0.14 0.00 -0.17 0.15 0.00 0.00 0.00 178.15 178.27 1rkw h PHE 182 N -0.03 -0.47 -1.19 1.37 3.57 -0.70 -1.87 116.94 117.62 1rkw h PHE 182 Ca 0.20 0.00 0.36 0.00 3.53 0.00 0.00 57.97 62.06 1rkw h PHE 182 Cb 0.34 0.18 -0.12 0.00 2.79 0.00 0.00 35.95 39.14 1rkw h PHE 182 CO -0.38 -0.24 0.76 -0.07 -2.23 0.00 0.00 178.31 176.15 1rkw h LEU 183 N -0.37 0.33 0.00 0.59 3.38 -0.93 -1.16 115.31 117.15 1rkw h LEU 183 Ca -0.03 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rkw h LEU 183 Cb 0.31 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1rkw h LEU 183 CO 0.00 -0.08 0.00 0.59 0.09 0.00 0.00 178.44 179.04 1rkw n ASN 184 N -4.68 0.00 -0.32 -0.43 4.13 -0.24 -2.64 115.26 111.09 1rkw n ASN 184 Ca 0.32 0.57 0.25 0.00 1.68 0.00 0.00 54.58 57.40 1rkw n ASN 184 Cb 1.19 -0.07 0.39 0.00 -1.54 0.00 0.00 39.78 39.75 1rkw n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rkw n GLY 185 N -0.58 -0.50 1.99 7.41 0.00 -0.49 -3.17 105.19 109.85 1rkw n GLY 185 Ca 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.85 2.37 0.00 0.99 4.77 -0.89 -5.12 117.00 116.26 1rkw n LEU 186 Ca 0.21 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 1rkw n LEU 186 Cb 1.02 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1rkw n LEU 186 CO 0.21 0.46 0.00 -1.20 -1.33 0.00 0.00 177.39 175.53