#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 0.89 0.10 1.20 -0.00 -1.26 -4.18 117.00 113.76 1rkw n LEU 3 Ca 0.00 0.18 0.13 0.00 -0.00 0.00 0.00 56.01 56.32 1rkw n LEU 3 Cb 0.00 -0.22 0.63 0.00 -0.00 0.00 0.00 43.42 43.83 1rkw n LEU 3 CO 0.00 -0.75 1.13 0.50 -0.00 0.00 0.00 177.39 178.27 1rkw h LYS 4 N 0.00 0.08 -0.03 1.96 3.11 -2.01 0.35 116.57 120.03 1rkw h LYS 4 Ca 0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1rkw h LYS 4 Cb 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1rkw h LYS 4 CO 0.00 0.05 0.00 -0.25 -2.81 0.00 0.00 179.45 176.44 1rkw n ASP 5 N -4.47 2.56 -0.05 4.20 8.00 -1.26 -3.76 116.55 121.76 1rkw n ASP 5 Ca 0.04 -1.85 -0.01 0.00 0.71 0.00 0.00 54.79 53.67 1rkw n ASP 5 Cb 0.32 -0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.27 1rkw n ASP 5 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rkw n LYS 6 N 1.00 0.67 0.07 -1.24 4.01 0.11 -3.65 118.16 119.13 1rkw n LYS 6 Ca 0.16 -0.05 -0.12 0.00 -0.51 0.00 0.00 58.31 57.79 1rkw n LYS 6 Cb 0.53 -1.56 -0.08 0.00 -0.51 0.00 0.00 35.03 33.41 1rkw n LYS 6 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1rkw h ILE 7 N 0.00 0.93 -0.75 -0.18 1.08 -1.19 -2.54 117.51 114.86 1rkw h ILE 7 Ca -0.31 -0.98 0.09 0.00 -0.39 0.00 0.00 64.86 63.27 1rkw h ILE 7 Cb 1.73 1.48 -0.11 0.00 -3.07 0.00 0.00 36.82 36.84 1rkw h ILE 7 CO 0.02 0.21 -0.51 -0.07 -0.69 0.00 0.00 178.15 177.11 1rkw h LEU 8 N -0.74 -1.80 -1.53 1.44 -0.00 -1.74 0.31 115.31 111.25 1rkw h LEU 8 Ca -0.02 0.28 0.19 0.00 -0.00 0.00 0.00 57.88 58.33 1rkw h LEU 8 Cb 0.51 0.81 -0.06 0.00 -0.00 0.00 0.00 40.66 41.92 1rkw h LEU 8 CO 0.04 -0.31 0.58 1.23 -0.00 0.00 0.00 178.44 179.98 1rkw h GLY 9 N -0.15 0.83 1.30 0.83 0.00 -1.61 -0.34 103.07 103.93 1rkw h GLY 9 Ca 0.18 -0.19 -0.32 0.00 0.00 0.00 0.00 47.33 47.00 1rkw h GLY 9 CO -0.80 0.01 -1.37 -2.08 0.00 0.00 0.00 176.54 172.30 1rkw h VAL 10 N 0.41 1.31 -0.13 4.60 2.07 -0.05 -3.16 116.25 121.31 1rkw h VAL 10 Ca 0.44 -2.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.30 1rkw h VAL 10 Cb 1.09 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.76 1rkw h VAL 10 CO -0.16 0.80 0.03 0.00 0.02 0.00 0.00 177.57 178.26 1rkw h ALA 11 N 0.25 0.17 -0.67 1.67 0.00 -0.38 -2.39 119.26 117.92 1rkw h ALA 11 Ca -0.22 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.68 1rkw h ALA 11 Cb 2.06 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.67 1rkw h ALA 11 CO 0.26 -0.20 -0.25 -0.22 0.00 0.00 0.00 179.25 178.84 1rkw h LYS 12 N 0.00 -0.06 -0.18 0.00 3.64 -1.18 0.41 116.57 119.20 1rkw h LYS 12 Ca 0.04 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1rkw h LYS 12 Cb 0.26 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1rkw h LYS 12 CO 0.00 -0.04 -0.08 1.49 -2.27 0.00 0.00 179.45 178.55 1rkw h GLU 13 N -0.07 -0.06 0.18 1.90 4.81 -1.46 -1.98 114.58 117.91 1rkw h GLU 13 Ca 0.30 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1rkw h GLU 13 Cb 0.54 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1rkw h GLU 13 CO -0.72 -0.04 -0.09 -0.07 -0.73 0.00 0.00 179.01 177.37 1rkw h LEU 14 N -0.06 -0.21 -1.45 1.64 4.07 -0.66 0.48 115.31 119.12 1rkw h LEU 14 Ca 0.10 -0.20 0.31 0.00 0.08 0.00 0.00 57.88 58.17 1rkw h LEU 14 Cb 0.21 0.05 -0.09 0.00 1.08 0.00 0.00 40.66 41.90 1rkw h LEU 14 CO -0.22 0.09 0.73 -0.26 -1.08 0.00 0.00 178.44 177.70 1rkw h PHE 15 N -0.52 0.55 0.00 1.13 0.05 -0.11 0.88 116.94 118.92 1rkw h PHE 15 Ca -0.03 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.78 1rkw h PHE 15 Cb 0.39 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 38.19 1rkw h PHE 15 CO 0.01 -0.00 -0.11 0.82 -0.18 0.00 0.00 178.31 178.85 1rkw h ILE 16 N 0.28 0.00 0.00 -0.55 2.04 -1.19 -2.98 117.51 115.11 1rkw h ILE 16 Ca 0.64 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1rkw h ILE 16 Cb 1.82 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1rkw h ILE 16 CO -0.28 0.00 0.20 1.17 0.00 0.00 0.00 178.15 179.24 1rkw n LYS 17 N -3.77 0.00 0.00 2.37 4.81 0.17 -4.42 118.16 117.32 1rkw n LYS 17 Ca -0.02 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1rkw n LYS 17 Cb 0.06 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1rkw n LYS 17 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1rkw n ASN 18 N -1.34 0.00 -1.36 3.14 3.02 0.30 -5.00 115.26 114.02 1rkw n ASN 18 Ca -0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 1rkw n ASN 18 Cb 0.20 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 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 0.00 1.55 0.21 7.41 0.00 -1.12 -4.85 105.19 108.39 1rkw n GLY 19 Ca 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 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 1.18 -0.45 -0.24 1.61 3.20 -1.77 -3.17 116.97 117.32 1rkw h TYR 20 Ca -0.06 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.86 1rkw h TYR 20 Cb 0.22 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1rkw h TYR 20 CO 0.00 -0.28 -0.17 -0.91 -1.64 0.00 0.00 178.16 175.16 1rkw h ASN 21 N -0.83 -0.55 0.00 -2.11 2.35 -1.93 -3.36 115.58 109.16 1rkw h ASN 21 Ca -0.05 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1rkw h ASN 21 Cb 0.38 0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1rkw h ASN 21 CO 0.08 -0.21 0.00 0.00 -1.65 0.00 0.00 177.43 175.65 1rkw n ALA 22 N -2.69 0.00 -0.61 -0.83 0.00 -1.24 -4.67 120.51 110.47 1rkw n ALA 22 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1rkw n ALA 22 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 1rkw n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rkw n THR 23 N 0.00 0.61 -4.23 0.00 -2.24 -1.20 -4.93 114.28 102.29 1rkw n THR 23 Ca 0.00 -0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.44 1rkw n THR 23 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 1rkw n THR 23 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1rkw s THR 24 N -0.30 1.36 0.62 4.28 -1.32 -1.26 -4.90 115.64 114.11 1rkw s THR 24 Ca 0.31 -1.58 0.27 0.00 -1.21 0.00 0.00 61.69 59.48 1rkw s THR 24 Cb -0.44 -1.42 0.33 0.00 -1.51 0.00 0.00 72.50 69.47 1rkw s THR 24 CO 0.24 -0.29 1.79 0.71 -2.21 0.00 0.00 174.62 174.86 1rkw h THR 25 N 3.83 0.20 0.09 5.08 1.35 -1.98 0.69 112.91 122.17 1rkw h THR 25 Ca -0.41 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1rkw h THR 25 Cb 1.19 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1rkw h THR 25 CO 0.46 0.00 -0.05 1.23 -0.25 0.00 0.00 175.52 176.91 1rkw h GLY 26 N 0.00 -0.13 1.05 5.82 0.00 -2.00 -2.79 103.07 105.02 1rkw h GLY 26 Ca 0.16 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1rkw h GLY 26 CO -0.00 -0.05 0.20 -2.09 0.00 0.00 0.00 176.54 174.60 1rkw h GLU 27 N -0.65 1.10 -0.55 4.80 4.81 -0.19 -1.24 114.58 122.65 1rkw h GLU 27 Ca -0.01 -0.25 0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1rkw h GLU 27 Cb 0.52 -0.15 -0.09 0.00 0.63 0.00 0.00 28.75 29.66 1rkw h GLU 27 CO 0.02 0.96 0.05 0.82 -0.73 0.00 0.00 179.01 180.13 1rkw h ILE 28 N 1.03 0.61 -0.24 2.32 2.04 -0.61 -1.39 117.51 121.28 1rkw h ILE 28 Ca 0.22 -0.06 -0.13 0.00 1.00 0.00 0.00 64.86 65.90 1rkw h ILE 28 Cb 0.33 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1rkw h ILE 28 CO -0.00 0.03 -0.34 0.58 0.00 0.00 0.00 178.15 178.42 1rkw h VAL 29 N 0.17 1.32 0.00 1.67 2.07 -1.23 -2.27 116.25 117.98 1rkw h VAL 29 Ca 0.28 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1rkw h VAL 29 Cb 0.43 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1rkw h VAL 29 CO -0.42 0.48 0.00 0.50 0.02 0.00 0.00 177.57 178.15 1rkw h LYS 30 N 0.36 0.00 0.00 1.57 3.64 -0.74 1.03 116.57 122.43 1rkw h LYS 30 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1rkw h LYS 30 Cb 0.92 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1rkw h LYS 30 CO 0.08 0.00 -1.12 1.28 -2.27 0.00 0.00 179.45 177.42 1rkw n LEU 31 N -2.35 0.44 -0.10 5.20 7.99 -0.57 -4.62 117.00 123.00 1rkw n LEU 31 Ca 0.03 -0.30 -0.17 0.00 -0.01 0.00 0.00 56.01 55.55 1rkw n LEU 31 Cb 0.28 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.51 1rkw n LEU 31 CO 0.23 0.11 -1.14 -0.24 -1.51 0.00 0.00 177.39 174.84 1rkw n SER 32 N -1.64 1.97 -0.93 -1.43 2.88 -0.86 -5.09 113.62 108.53 1rkw n SER 32 Ca 0.01 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1rkw n SER 32 Cb 0.31 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1rkw n SER 32 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1rkw n GLU 33 N -3.46 0.00 -3.64 -1.46 4.71 0.35 -5.06 120.64 112.08 1rkw n GLU 33 Ca -0.36 0.31 -0.03 0.00 -0.01 0.00 0.00 57.16 57.07 1rkw n GLU 33 Cb 0.81 -0.62 -0.06 0.00 -1.01 0.00 0.00 31.44 30.56 1rkw n GLU 33 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1rkw s SER 34 N 0.00 -0.07 1.08 1.62 0.01 -1.25 -5.07 113.70 110.02 1rkw s SER 34 Ca 0.00 0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.26 1rkw s SER 34 Cb 0.00 0.11 0.24 0.00 0.21 0.00 0.00 66.02 66.58 1rkw s SER 34 CO 0.00 -0.04 1.07 -0.55 0.41 0.00 0.00 173.24 174.12 1rkw s SER 35 N -0.45 1.59 0.03 2.44 0.15 -1.26 -4.84 113.70 111.37 1rkw s SER 35 Ca 0.07 1.74 -0.24 0.00 0.70 0.00 0.00 55.95 58.23 1rkw s SER 35 Cb -0.03 -2.39 -0.13 0.00 -1.71 0.00 0.00 66.02 61.76 1rkw s SER 35 CO -0.11 -3.85 1.28 0.07 1.20 0.00 0.00 173.24 171.83 1rkw h LYS 36 N -2.39 -0.82 -0.99 5.44 -0.00 -1.99 -3.18 116.57 112.65 1rkw h LYS 36 Ca -0.56 0.06 0.37 0.00 -0.00 0.00 0.00 60.65 60.52 1rkw h LYS 36 Cb 1.31 0.19 -0.13 0.00 -0.00 0.00 0.00 32.23 33.60 1rkw h LYS 36 CO 0.47 -0.55 0.59 0.41 -0.00 0.00 0.00 179.45 180.38 1rkw n GLY 37 N -1.22 -0.66 0.35 0.07 0.00 -1.26 -0.52 105.19 101.95 1rkw n GLY 37 Ca -0.11 0.65 -0.02 0.00 0.00 0.00 0.00 46.02 46.54 1rkw n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rkw n ASN 38 N -4.60 -0.62 -2.01 1.61 4.13 -1.20 0.64 115.26 113.21 1rkw n ASN 38 Ca 0.32 1.58 -0.08 0.00 1.68 0.00 0.00 54.58 58.08 1rkw n ASN 38 Cb 1.18 -0.35 -0.11 0.00 -1.54 0.00 0.00 39.78 38.96 1rkw n ASN 38 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1rkw n LEU 39 N -5.31 4.22 0.00 3.41 7.99 0.32 -3.73 117.00 123.89 1rkw n LEU 39 Ca 0.08 -2.53 0.00 0.00 -0.01 0.00 0.00 56.01 53.56 1rkw n LEU 39 Cb 0.35 -1.10 0.00 0.00 -0.11 0.00 0.00 43.42 42.56 1rkw n LEU 39 CO -0.13 1.19 -0.05 0.00 -1.51 0.00 0.00 177.39 176.89 1rkw n TYR 40 N 2.43 0.00 0.00 -1.77 9.36 0.21 -4.47 117.16 122.91 1rkw n TYR 40 Ca 0.29 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.51 1rkw n TYR 40 Cb 0.68 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.39 1rkw n TYR 40 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1rkw n TYR 41 N -0.42 0.00 0.09 2.98 9.36 -1.24 -3.79 117.16 124.14 1rkw n TYR 41 Ca 0.00 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.04 1rkw n TYR 41 Cb 0.03 -0.42 -0.14 0.00 -0.63 0.00 0.00 39.34 38.17 1rkw n TYR 41 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1rkw h HIS 42 N 0.00 0.55 -1.85 2.98 3.86 -1.94 -3.38 115.15 115.37 1rkw h HIS 42 Ca 0.00 -0.40 -0.75 0.00 -1.16 0.00 0.00 60.37 58.06 1rkw h HIS 42 Cb 0.00 -0.02 -0.17 0.00 1.06 0.00 0.00 27.41 28.28 1rkw h HIS 42 CO 0.05 1.38 1.64 1.19 0.86 0.00 0.00 177.93 183.05 1rkw n PHE 43 N -3.52 3.99 0.00 2.45 0.99 -1.26 -4.92 117.46 115.19 1rkw n PHE 43 Ca -0.14 -3.09 0.00 0.00 -0.00 0.00 0.00 57.45 54.22 1rkw n PHE 43 Cb 1.05 -2.05 0.00 0.00 -1.00 0.00 0.00 39.48 37.48 1rkw n PHE 43 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1rkw n LYS 44 N 4.68 0.00 -1.83 -1.08 5.02 -1.25 -1.96 118.16 121.74 1rkw n LYS 44 Ca 0.38 0.33 -0.07 0.00 -2.02 0.00 0.00 58.31 56.92 1rkw n LYS 44 Cb 0.39 -0.95 0.02 0.00 -0.02 0.00 0.00 35.03 34.48 1rkw n LYS 44 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1rkw n THR 45 N -0.77 0.00 0.08 -0.18 -2.24 -1.26 -4.47 114.28 105.43 1rkw n THR 45 Ca 0.00 -0.71 -0.06 0.00 -2.27 0.00 0.00 64.05 61.00 1rkw n THR 45 Cb 0.00 -0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 67.44 1rkw n THR 45 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1rkw h LYS 46 N 0.00 0.02 0.00 -0.78 3.64 -1.89 -2.72 116.57 114.84 1rkw h LYS 46 Ca -0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1rkw h LYS 46 Cb 0.45 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1rkw h LYS 46 CO 0.15 0.93 0.00 -0.85 -2.27 0.00 0.00 179.45 177.41 1rkw n GLU 47 N -3.46 0.33 0.00 1.90 0.28 -1.26 -1.57 120.64 116.86 1rkw n GLU 47 Ca -0.01 0.06 -0.20 0.00 -0.16 0.00 0.00 57.16 56.85 1rkw n GLU 47 Cb 0.87 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 32.10 1rkw n GLU 47 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1rkw n ASN 48 N -1.29 2.04 0.05 -1.84 5.15 -1.04 -2.05 115.26 116.27 1rkw n ASN 48 Ca 0.11 0.23 -0.01 0.00 -0.60 0.00 0.00 54.58 54.31 1rkw n ASN 48 Cb 0.19 -0.81 0.28 0.00 -0.53 0.00 0.00 39.78 38.91 1rkw n ASN 48 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1rkw h LEU 49 N 0.07 0.38 -0.01 1.20 5.85 -1.23 -1.37 115.31 120.20 1rkw h LEU 49 Ca -0.41 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.07 1rkw h LEU 49 Cb 2.03 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.97 1rkw h LEU 49 CO 0.09 0.59 -0.50 0.15 -0.34 0.00 0.00 178.44 178.43 1rkw h PHE 50 N 0.36 0.52 0.00 1.25 3.04 -1.37 -1.99 116.94 118.75 1rkw h PHE 50 Ca 0.06 -0.27 -0.01 0.00 3.98 0.00 0.00 57.97 61.73 1rkw h PHE 50 Cb 0.53 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.98 1rkw h PHE 50 CO 0.01 1.08 -0.03 -0.07 -2.02 0.00 0.00 178.31 177.29 1rkw h LEU 51 N -0.20 0.00 0.27 0.59 4.07 -1.30 -1.12 115.31 117.61 1rkw h LEU 51 Ca -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1rkw h LEU 51 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1rkw h LEU 51 CO 0.10 0.03 -0.13 -0.08 -1.08 0.00 0.00 178.44 177.28 1rkw h GLU 52 N 0.00 -0.35 -0.90 1.13 4.57 -1.08 -1.73 114.58 116.22 1rkw h GLU 52 Ca -0.00 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.35 1rkw h GLU 52 Cb 0.32 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.92 1rkw h GLU 52 CO 0.00 -0.01 0.58 0.82 -1.18 0.00 0.00 179.01 179.22 1rkw h ILE 53 N -0.94 0.81 0.00 2.32 2.04 -0.98 0.36 117.51 121.13 1rkw h ILE 53 Ca -0.04 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1rkw h ILE 53 Cb 0.50 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1rkw h ILE 53 CO 0.06 0.12 -0.34 -0.07 0.00 0.00 0.00 178.15 177.92 1rkw h LEU 54 N 0.67 0.00 0.03 1.44 3.38 -1.12 -2.55 115.31 117.15 1rkw h LEU 54 Ca 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 1rkw h LEU 54 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1rkw h LEU 54 CO -0.21 0.34 -0.01 -1.13 0.09 0.00 0.00 178.44 177.51 1rkw h ASN 55 N 0.00 -0.03 0.00 -0.43 -1.24 0.62 -2.70 115.58 111.80 1rkw h ASN 55 Ca -0.00 -0.56 0.00 0.00 0.71 0.00 0.00 56.30 56.45 1rkw h ASN 55 Cb 0.60 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 1rkw h ASN 55 CO 0.04 0.56 -0.10 0.40 -1.29 0.00 0.00 177.43 177.04 1rkw h ILE 56 N -0.63 0.00 -0.92 2.57 1.08 -1.18 -1.43 117.51 116.99 1rkw h ILE 56 Ca -0.00 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.73 1rkw h ILE 56 Cb 0.59 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.18 1rkw h ILE 56 CO 0.01 0.00 0.20 -0.33 -0.69 0.00 0.00 178.15 177.33 1rkw h GLU 57 N -0.13 0.12 -0.32 2.37 4.39 -1.58 0.74 114.58 120.17 1rkw h GLU 57 Ca 0.00 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1rkw h GLU 57 Cb 0.14 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1rkw h GLU 57 CO -0.07 0.08 -0.33 1.49 -1.16 0.00 0.00 179.01 179.02 1rkw h GLU 58 N 0.12 0.69 0.39 2.33 4.22 -1.33 -0.45 114.58 120.56 1rkw h GLU 58 Ca 0.60 -0.32 -0.02 0.00 0.08 0.00 0.00 59.36 59.69 1rkw h GLU 58 Cb 1.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1rkw h GLU 58 CO -0.75 0.93 -0.19 0.77 -2.18 0.00 0.00 179.01 177.59 1rkw h SER 59 N 0.58 -0.44 -0.38 1.04 0.02 0.14 -2.01 113.55 112.50 1rkw h SER 59 Ca 0.06 -0.09 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1rkw h SER 59 Cb 0.84 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.44 1rkw h SER 59 CO 0.07 -0.16 0.02 0.11 -1.14 0.00 0.00 176.83 175.74 1rkw h LYS 60 N -0.73 0.13 -0.69 3.45 1.57 -0.12 0.24 116.57 120.41 1rkw h LYS 60 Ca -0.05 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1rkw h LYS 60 Cb 0.51 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1rkw h LYS 60 CO 0.09 0.08 0.26 2.35 -0.57 0.00 0.00 179.45 181.66 1rkw h TRP 61 N 0.13 1.05 -0.05 -1.35 2.91 -1.08 -0.48 115.95 117.09 1rkw h TRP 61 Ca 0.19 -0.08 -0.11 0.00 1.13 0.00 0.00 58.89 60.02 1rkw h TRP 61 Cb 0.25 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.57 1rkw h TRP 61 CO -0.24 0.82 -0.48 0.37 -1.03 0.00 0.00 178.44 177.88 1rkw h GLN 62 N 1.01 0.13 0.24 2.65 5.75 -0.82 -0.85 115.11 123.21 1rkw h GLN 62 Ca 0.23 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1rkw h GLN 62 Cb 0.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1rkw h GLN 62 CO -0.02 0.58 -0.12 1.49 -2.65 0.00 0.00 178.83 178.12 1rkw h GLU 63 N 0.10 -0.31 -0.96 1.69 4.81 -0.32 -2.53 114.58 117.07 1rkw h GLU 63 Ca 0.00 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.38 1rkw h GLU 63 Cb 0.88 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.25 1rkw h GLU 63 CO 0.07 0.05 0.58 0.37 -0.73 0.00 0.00 179.01 179.35 1rkw h GLN 64 N -0.78 0.87 -0.50 1.92 4.15 -1.00 -0.78 115.11 119.00 1rkw h GLN 64 Ca -0.03 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.29 1rkw h GLN 64 Cb 0.51 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 1rkw h GLN 64 CO 0.05 0.58 0.11 2.35 -1.93 0.00 0.00 178.83 179.99 1rkw h TRP 65 N 0.90 0.78 -0.19 3.99 2.91 -1.09 -1.48 115.95 121.77 1rkw h TRP 65 Ca 0.48 -0.07 -0.14 0.00 1.13 0.00 0.00 58.89 60.29 1rkw h TRP 65 Cb 0.52 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.93 1rkw h TRP 65 CO -0.02 0.67 -0.49 0.87 -1.03 0.00 0.00 178.44 178.44 1rkw h LYS 66 N 0.73 0.50 0.00 2.65 1.57 -0.77 0.55 116.57 121.81 1rkw h LYS 66 Ca 0.16 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1rkw h LYS 66 Cb 0.29 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1rkw h LYS 66 CO -0.00 0.88 0.00 1.63 -0.57 0.00 0.00 179.45 181.39 1rkw n LYS 67 N -3.98 0.82 0.00 3.15 5.02 -0.43 -3.72 118.16 119.02 1rkw n LYS 67 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1rkw n LYS 67 Cb 0.56 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1rkw n LYS 67 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1rkw n GLU 68 N -0.73 2.45 0.18 1.97 1.02 -0.43 -4.75 120.64 120.35 1rkw n GLU 68 Ca 0.09 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.35 1rkw n GLU 68 Cb 0.04 -0.76 0.64 0.00 -0.02 0.00 0.00 31.44 31.34 1rkw n GLU 68 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1rkw h GLN 69 N 0.00 0.00 -0.84 3.49 3.07 -0.04 -2.47 115.11 118.32 1rkw h GLN 69 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 58.65 58.83 1rkw h GLN 69 Cb 0.28 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.78 1rkw h GLN 69 CO 0.00 0.00 0.55 0.82 0.09 0.00 0.00 178.83 180.29 1rkw h ILE 70 N 0.00 0.98 0.00 1.86 1.08 -1.83 0.86 117.51 120.45 1rkw h ILE 70 Ca 0.00 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1rkw h ILE 70 Cb 0.02 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.84 1rkw h ILE 70 CO 0.00 0.15 0.00 0.29 -0.69 0.00 0.00 178.15 177.90 1rkw n LYS 71 N -4.51 0.17 -4.02 2.37 5.02 -0.93 -4.47 118.16 111.78 1rkw n LYS 71 Ca 0.14 0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 56.16 1rkw n LYS 71 Cb 0.29 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.09 2.02 -0.05 7.82 0.00 0.29 -5.04 121.76 124.71 1rkw s ALA 72 Ca 0.08 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 1rkw s ALA 72 Cb 0.04 -1.20 -0.09 0.00 0.00 0.00 0.00 23.12 21.88 1rkw s ALA 72 CO 0.07 -0.61 0.58 0.87 0.00 0.00 0.00 175.76 176.67 1rkw h LYS 73 N 7.99 -0.39 -6.84 0.00 6.56 -1.83 -3.44 116.57 118.62 1rkw h LYS 73 Ca -0.34 0.03 -0.49 0.00 -1.06 0.00 0.00 60.65 58.79 1rkw h LYS 73 Cb 1.11 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.85 1rkw h LYS 73 CO 0.52 -0.19 0.15 0.95 -2.06 0.00 0.00 179.45 178.81 1rkw s THR 74 N -3.08 4.67 0.29 -0.16 -4.23 -1.26 -4.97 115.64 106.90 1rkw s THR 74 Ca -0.08 0.92 0.01 0.00 -1.18 0.00 0.00 61.69 61.36 1rkw s THR 74 Cb 0.01 -3.66 0.13 0.00 1.34 0.00 0.00 72.50 70.32 1rkw s THR 74 CO 0.25 -0.35 1.80 0.78 -0.54 0.00 0.00 174.62 176.56 1rkw h ASN 75 N 1.79 0.62 -0.66 3.99 4.21 -1.91 -1.06 115.58 122.55 1rkw h ASN 75 Ca -0.48 -0.14 0.14 0.00 1.21 0.00 0.00 56.30 57.03 1rkw h ASN 75 Cb 1.18 -0.16 -0.12 0.00 -1.12 0.00 0.00 38.32 38.09 1rkw h ASN 75 CO 0.64 0.71 -0.13 -0.09 -1.29 0.00 0.00 177.43 177.28 1rkw h ARG 76 N 0.61 0.02 -0.33 0.81 2.43 -1.93 0.39 114.38 116.38 1rkw h ARG 76 Ca 0.12 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1rkw h ARG 76 Cb 0.42 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1rkw h ARG 76 CO 0.02 0.01 -0.14 0.93 -1.51 0.00 0.00 179.97 179.28 1rkw h GLU 77 N 0.02 0.59 -0.22 0.20 5.08 -1.64 -2.33 114.58 116.28 1rkw h GLU 77 Ca 0.33 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1rkw h GLU 77 Cb 0.51 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1rkw h GLU 77 CO -0.66 0.71 -0.14 0.87 -1.00 0.00 0.00 179.01 178.80 1rkw h LYS 78 N 0.54 0.37 0.32 2.33 1.57 0.80 -0.62 116.57 121.87 1rkw h LYS 78 Ca 0.09 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1rkw h LYS 78 Cb 0.56 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1rkw h LYS 78 CO 0.04 0.51 -0.15 0.35 -0.57 0.00 0.00 179.45 179.63 1rkw h PHE 79 N 0.35 -0.39 -0.41 -1.35 3.57 -0.17 -0.97 116.94 117.56 1rkw h PHE 79 Ca 0.07 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1rkw h PHE 79 Cb 0.46 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 1rkw h PHE 79 CO 0.01 -0.12 0.00 1.88 -2.23 0.00 0.00 178.31 177.85 1rkw h TYR 80 N -0.62 -0.02 0.08 0.41 0.05 -1.24 -2.62 116.97 113.01 1rkw h TYR 80 Ca -0.04 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1rkw h TYR 80 Cb 0.45 0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.26 1rkw h TYR 80 CO -0.00 -0.08 -0.04 1.25 -1.05 0.00 0.00 178.16 178.24 1rkw h LEU 81 N 0.11 -0.10 -0.88 3.88 5.85 -1.02 -2.10 115.31 121.05 1rkw h LEU 81 Ca 0.20 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1rkw h LEU 81 Cb 0.28 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1rkw h LEU 81 CO -0.33 -0.07 0.54 0.22 -0.34 0.00 0.00 178.44 178.46 1rkw h TYR 82 N -0.11 1.00 -0.22 1.25 3.20 -1.06 -0.34 116.97 120.70 1rkw h TYR 82 Ca -0.01 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 1rkw h TYR 82 Cb 0.09 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1rkw h TYR 82 CO -0.08 0.48 -0.34 -0.91 -1.64 0.00 0.00 178.16 175.68 1rkw h ASN 83 N 0.96 0.47 0.01 -2.11 -0.26 -1.21 -1.83 115.58 111.61 1rkw h ASN 83 Ca 0.40 -0.18 -0.18 0.00 -0.56 0.00 0.00 56.30 55.77 1rkw h ASN 83 Cb 0.23 -0.13 0.02 0.00 -1.06 0.00 0.00 38.32 37.38 1rkw h ASN 83 CO -0.19 0.78 -0.72 -0.33 -1.06 0.00 0.00 177.43 175.90 1rkw h GLU 84 N 0.39 0.48 -0.52 0.81 5.08 -0.90 -3.24 114.58 116.68 1rkw h GLU 84 Ca 0.05 -0.52 0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1rkw h GLU 84 Cb 0.78 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1rkw h GLU 84 CO 0.06 1.17 0.34 -0.07 -1.00 0.00 0.00 179.01 179.51 1rkw h LEU 85 N 0.01 0.52 -1.47 1.33 4.07 -1.03 -0.69 115.31 118.05 1rkw h LEU 85 Ca -0.09 -0.01 0.18 0.00 0.08 0.00 0.00 57.88 58.04 1rkw h LEU 85 Cb 1.42 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.98 1rkw h LEU 85 CO 0.14 0.36 0.58 0.28 -1.08 0.00 0.00 178.44 178.72 1rkw h SER 86 N 0.60 0.45 1.14 -0.43 0.02 -1.35 0.32 113.55 114.31 1rkw h SER 86 Ca 0.20 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1rkw h SER 86 Cb 0.07 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1rkw h SER 86 CO -0.05 0.20 0.00 -0.07 -1.14 0.00 0.00 176.83 175.77 1rkw h LEU 87 N 0.46 0.00 0.00 5.07 3.38 -1.20 -3.37 115.31 119.65 1rkw h LEU 87 Ca 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 1rkw h LEU 87 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1rkw h LEU 87 CO -0.18 0.00 -1.26 0.35 0.09 0.00 0.00 178.44 177.44 1rkw n THR 88 N -2.95 0.13 -0.85 0.22 -2.24 0.96 -5.05 114.28 104.50 1rkw n THR 88 Ca 0.01 -0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 1rkw n THR 88 Cb 0.33 -0.15 0.10 0.00 -2.10 0.00 0.00 70.33 68.51 1rkw n THR 88 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1rkw n THR 89 N -1.88 0.00 0.24 4.28 -1.04 -0.16 -4.87 114.28 110.84 1rkw n THR 89 Ca -0.04 -0.25 0.07 0.00 -2.04 0.00 0.00 64.05 61.79 1rkw n THR 89 Cb 0.35 -0.34 0.12 0.00 -1.82 0.00 0.00 70.33 68.64 1rkw n THR 89 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1rkw n GLU 90 N 0.07 1.81 -4.21 -2.82 0.00 -1.26 -4.88 120.64 109.35 1rkw n GLU 90 Ca 0.01 -1.74 -0.35 0.00 0.00 0.00 0.00 57.16 55.08 1rkw n GLU 90 Cb 0.61 -1.31 -0.09 0.00 0.00 0.00 0.00 31.44 30.66 1rkw n GLU 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1rkw s TYR 91 N -1.11 3.29 0.00 -1.84 4.12 -1.26 -4.74 117.35 115.81 1rkw s TYR 91 Ca 0.23 0.28 0.00 0.00 0.02 0.00 0.00 57.07 57.59 1rkw s TYR 91 Cb 0.14 -1.85 0.00 0.00 -1.52 0.00 0.00 41.96 38.72 1rkw s TYR 91 CO 0.19 0.52 0.00 0.98 0.02 0.00 0.00 175.55 177.26 1rkw n TYR 92 N 2.20 0.00 0.18 2.71 4.19 -1.26 -4.32 117.16 120.85 1rkw n TYR 92 Ca -0.19 0.00 0.18 0.00 3.31 0.00 0.00 57.90 61.21 1rkw n TYR 92 Cb 0.54 0.00 0.81 0.00 0.49 0.00 0.00 39.34 41.17 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 0.00 0.00 2.98 0.05 -1.91 0.22 116.97 118.31 1rkw h TYR 93 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1rkw h TYR 93 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1rkw h TYR 93 CO 0.00 0.00 0.00 -2.30 -1.05 0.00 0.00 178.16 174.81 1rkw n PRO 94 N -3.66 0.53 -0.08 4.88 -0.02 -1.26 -2.71 135.00 132.69 1rkw n PRO 94 Ca 0.03 0.04 0.09 0.00 -2.02 0.00 0.00 63.50 61.64 1rkw n PRO 94 Cb 0.44 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.54 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 -1.13 2.78 -0.29 2.45 4.77 0.78 -4.63 117.00 121.71 1rkw n LEU 95 Ca 0.14 -1.26 0.08 0.00 -0.03 0.00 0.00 56.01 54.94 1rkw n LEU 95 Cb 0.12 -0.10 0.23 0.00 -2.33 0.00 0.00 43.42 41.35 1rkw n LEU 95 CO 0.15 0.55 1.09 1.56 -1.33 0.00 0.00 177.39 179.41 1rkw h GLN 96 N 3.50 0.58 0.11 3.23 1.08 -1.62 -0.07 115.11 121.92 1rkw h GLN 96 Ca 0.00 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1rkw h GLN 96 Cb 0.79 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1rkw h GLN 96 CO 0.00 0.38 -0.05 -0.91 -0.95 0.00 0.00 178.83 177.30 1rkw h ASN 97 N 0.60 -0.12 -0.84 1.46 2.35 -1.86 0.51 115.58 117.67 1rkw h ASN 97 Ca 0.47 -0.05 0.06 0.00 -0.55 0.00 0.00 56.30 56.23 1rkw h ASN 97 Cb 0.69 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 39.03 1rkw h ASN 97 CO -0.38 -0.03 0.52 0.00 -1.65 0.00 0.00 177.43 175.89 1rkw h ALA 98 N 0.67 1.15 -0.18 -0.83 0.00 -1.73 -0.15 119.26 118.20 1rkw h ALA 98 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rkw h ALA 98 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1rkw h ALA 98 CO 0.02 0.26 0.09 0.82 0.00 0.00 0.00 179.25 180.45 1rkw h ILE 99 N 0.95 1.12 -0.50 0.00 2.04 -0.45 0.40 117.51 121.07 1rkw h ILE 99 Ca 0.36 -0.35 0.10 0.00 1.00 0.00 0.00 64.86 65.97 1rkw h ILE 99 Cb 0.16 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 1rkw h ILE 99 CO -0.17 0.12 -0.01 0.40 0.00 0.00 0.00 178.15 178.49 1rkw h ILE 100 N 0.17 0.59 0.28 -0.67 2.04 0.14 0.20 117.51 120.26 1rkw h ILE 100 Ca 0.06 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1rkw h ILE 100 Cb 0.11 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1rkw h ILE 100 CO -0.01 0.02 -0.13 -0.08 0.00 0.00 0.00 178.15 177.95 1rkw h GLU 101 N 0.10 -0.36 -0.83 2.37 4.81 -0.78 -1.77 114.58 118.11 1rkw h GLU 101 Ca 0.25 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.68 1rkw h GLU 101 Cb 0.39 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 29.74 1rkw h GLU 101 CO -0.43 -0.19 0.37 0.35 -0.73 0.00 0.00 179.01 178.37 1rkw h PHE 102 N -0.45 0.62 -0.19 0.92 3.04 0.82 -0.68 116.94 121.03 1rkw h PHE 102 Ca -0.04 0.04 -0.14 0.00 3.98 0.00 0.00 57.97 61.81 1rkw h PHE 102 Cb 0.34 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1rkw h PHE 102 CO -0.04 0.06 -0.49 -0.92 -2.02 0.00 0.00 178.31 174.90 1rkw h TYR 103 N 0.48 0.62 0.00 0.41 5.03 -0.41 -2.85 116.97 120.25 1rkw h TYR 103 Ca 0.48 -0.20 0.00 0.00 2.58 0.00 0.00 58.73 61.59 1rkw h TYR 103 Cb 0.78 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.94 1rkw h TYR 103 CO -0.14 0.89 0.00 0.25 -1.32 0.00 0.00 178.16 177.84 1rkw n THR 104 N -3.98 0.00 -2.71 1.81 -2.24 -0.27 -2.47 114.28 104.41 1rkw n THR 104 Ca -0.02 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.72 1rkw n THR 104 Cb 0.56 -0.21 0.10 0.00 -2.10 0.00 0.00 70.33 68.68 1rkw n THR 104 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rkw n GLU 105 N -0.35 1.40 0.00 -0.78 1.02 -1.08 -4.85 120.64 116.01 1rkw n GLU 105 Ca 0.00 -2.05 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 1rkw n GLU 105 Cb 0.04 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 1rkw n GLU 105 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1rkw n TYR 106 N -1.01 0.00 0.58 -0.32 4.01 -1.17 -4.87 117.16 114.37 1rkw n TYR 106 Ca -0.07 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.75 1rkw n TYR 106 Cb 0.85 0.01 0.36 0.00 -0.31 0.00 0.00 39.34 40.25 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 0.91 -0.72 4.11 -1.03 -1.57 117.16 118.85 1rkw n TYR 107 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.03 1rkw n TYR 107 Cb 0.05 -0.50 0.52 0.00 -0.00 0.00 0.00 39.34 39.41 1rkw n TYR 107 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1rkw n LYS 108 N -1.50 0.07 -3.89 -3.48 5.02 -1.26 -4.78 118.16 108.33 1rkw n LYS 108 Ca 0.04 0.05 -0.22 0.00 -2.02 0.00 0.00 58.31 56.16 1rkw n LYS 108 Cb 0.20 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.59 1rkw n LYS 108 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1rkw s THR 109 N -3.03 3.40 -0.14 -0.18 -4.23 -0.61 -5.04 115.64 105.81 1rkw s THR 109 Ca 0.13 -1.46 0.22 0.00 -1.18 0.00 0.00 61.69 59.40 1rkw s THR 109 Cb 0.17 -3.13 -0.32 0.00 1.34 0.00 0.00 72.50 70.56 1rkw s THR 109 CO 0.57 -0.18 0.54 -3.20 -0.54 0.00 0.00 174.62 171.81 1rkw n ASN 110 N -1.31 0.13 0.03 3.99 4.05 -1.26 -3.97 115.26 116.92 1rkw n ASN 110 Ca -0.02 -0.10 0.11 0.00 0.45 0.00 0.00 54.58 55.01 1rkw n ASN 110 Cb 0.60 1.85 0.44 0.00 1.23 0.00 0.00 39.78 43.91 1rkw n ASN 110 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1rkw n SER 111 N -2.18 0.19 -0.10 1.20 2.88 -1.26 -3.43 113.62 110.91 1rkw n SER 111 Ca -0.03 0.53 -0.23 0.00 -1.33 0.00 0.00 58.87 57.81 1rkw n SER 111 Cb 0.54 -0.58 -0.12 0.00 -0.75 0.00 0.00 64.21 63.31 1rkw n SER 111 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1rkw n ILE 112 N -1.69 1.56 0.45 2.46 2.08 -1.26 -3.38 119.36 119.58 1rkw n ILE 112 Ca 0.05 -0.16 0.02 0.00 0.56 0.00 0.00 62.75 63.21 1rkw n ILE 112 Cb 0.26 -1.97 0.10 0.00 -0.75 0.00 0.00 39.64 37.28 1rkw n ILE 112 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1rkw n ASN 113 N -4.28 0.00 0.00 4.38 3.02 -1.22 -2.14 115.26 115.02 1rkw n ASN 113 Ca -0.36 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1rkw n ASN 113 Cb 0.76 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 1rkw n ASN 113 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1rkw n GLU 114 N -0.74 0.00 0.09 3.52 0.00 -1.23 -4.22 120.64 118.06 1rkw n GLU 114 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.06 1rkw n GLU 114 Cb 0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 31.44 31.08 1rkw n GLU 114 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1rkw h LYS 115 N 0.00 -0.45 0.00 5.31 1.79 -1.56 0.49 116.57 122.16 1rkw h LYS 115 Ca 0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1rkw h LYS 115 Cb 0.00 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1rkw h LYS 115 CO 0.00 -0.30 0.12 -0.12 -1.08 0.00 0.00 179.45 178.07 1rkw n MET 116 N -5.39 0.00 -0.00 3.15 0.00 -0.91 0.84 117.12 114.81 1rkw n MET 116 Ca -0.06 0.34 0.03 0.00 -0.00 0.00 0.00 57.70 58.02 1rkw n MET 116 Cb 0.30 -1.62 -0.05 0.00 0.00 0.00 0.00 33.22 31.86 1rkw n MET 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1rkw n ASN 117 N -1.33 1.22 0.01 6.12 5.15 0.83 -4.18 115.26 123.08 1rkw n ASN 117 Ca 0.00 -0.47 -0.13 0.00 -0.60 0.00 0.00 54.58 53.38 1rkw n ASN 117 Cb 0.12 1.10 -0.14 0.00 -0.53 0.00 0.00 39.78 40.33 1rkw n ASN 117 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1rkw h LYS 118 N 0.00 0.11 0.00 1.20 3.11 0.49 -3.21 116.57 118.27 1rkw h LYS 118 Ca 0.00 -0.19 -0.02 0.00 -2.81 0.00 0.00 60.65 57.63 1rkw h LYS 118 Cb 0.22 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1rkw h LYS 118 CO 0.00 0.81 -0.11 1.25 -2.81 0.00 0.00 179.45 178.59 1rkw h LEU 119 N 0.03 0.00 -1.49 5.20 6.46 -1.02 -2.00 115.31 122.49 1rkw h LEU 119 Ca -0.29 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.42 1rkw h LEU 119 Cb 2.00 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.92 1rkw h LEU 119 CO 0.10 0.11 -0.26 -0.33 -0.62 0.00 0.00 178.44 177.45 1rkw h GLU 120 N 0.00 0.00 -0.33 1.25 5.08 -1.72 -2.66 114.58 116.20 1rkw h GLU 120 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1rkw h GLU 120 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1rkw h GLU 120 CO 0.01 0.26 0.11 -0.91 -1.00 0.00 0.00 179.01 177.49 1rkw h ASN 121 N 0.00 0.47 0.68 1.42 2.35 -1.47 -1.11 115.58 117.91 1rkw h ASN 121 Ca -0.00 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 1rkw h ASN 121 Cb 0.51 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.76 1rkw h ASN 121 CO 0.03 0.53 -0.33 0.11 -1.65 0.00 0.00 177.43 176.13 1rkw h LYS 122 N 0.38 -0.89 -0.71 0.81 1.57 -1.62 -0.78 116.57 115.33 1rkw h LYS 122 Ca 0.11 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.09 1rkw h LYS 122 Cb 0.22 0.20 -0.14 0.00 0.08 0.00 0.00 32.23 32.60 1rkw h LYS 122 CO -0.01 -0.59 -0.17 0.98 -0.57 0.00 0.00 179.45 179.09 1rkw n TYR 123 N -4.48 0.26 1.01 -1.35 9.36 -1.02 0.79 117.16 121.73 1rkw n TYR 123 Ca -0.11 0.87 0.12 0.00 3.32 0.00 0.00 57.90 62.09 1rkw n TYR 123 Cb 0.36 -0.92 0.23 0.00 -0.63 0.00 0.00 39.34 38.39 1rkw n TYR 123 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 1rkw n ILE 124 N -5.15 0.00 0.00 2.97 -5.35 -0.43 -4.30 119.36 107.10 1rkw n ILE 124 Ca 0.12 -0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.49 1rkw n ILE 124 Cb 0.36 0.30 -0.05 0.00 -1.74 0.00 0.00 39.64 38.52 1rkw n ILE 124 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1rkw h ASP 125 N 0.04 -0.10 -0.84 7.28 3.58 0.19 -1.91 116.42 124.65 1rkw h ASP 125 Ca 0.00 0.03 0.20 0.00 0.42 0.00 0.00 57.03 57.68 1rkw h ASP 125 Cb 0.50 0.06 -0.12 0.00 1.72 0.00 0.00 39.33 41.49 1rkw h ASP 125 CO 0.00 -0.04 0.30 0.00 -2.88 0.00 0.00 179.24 176.62 1rkw h ALA 126 N 1.08 1.26 -0.02 -0.78 0.00 -1.74 0.50 119.26 119.55 1rkw h ALA 126 Ca 0.05 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1rkw h ALA 126 Cb 0.08 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rkw h ALA 126 CO -0.10 -0.35 -0.51 1.88 0.00 0.00 0.00 179.25 180.17 1rkw h TYR 127 N 0.34 0.07 0.30 0.00 0.05 -1.71 -1.36 116.97 114.65 1rkw h TYR 127 Ca 0.51 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.25 1rkw h TYR 127 Cb 0.95 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1rkw h TYR 127 CO -0.20 0.56 -0.14 1.25 -1.05 0.00 0.00 178.16 178.58 1rkw h HIS 128 N 0.05 -0.37 0.17 4.88 2.76 0.68 0.44 115.15 123.75 1rkw h HIS 128 Ca -0.00 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1rkw h HIS 128 Cb 0.93 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.98 1rkw h HIS 128 CO 0.00 -0.08 -0.28 0.28 -1.30 0.00 0.00 177.93 176.55 1rkw h VAL 129 N -0.63 0.39 -0.61 5.26 2.07 -0.98 0.54 116.25 122.29 1rkw h VAL 129 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 1rkw h VAL 129 Cb 0.45 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1rkw h VAL 129 CO 0.07 0.00 0.15 0.40 0.02 0.00 0.00 177.57 178.20 1rkw h ILE 130 N -0.53 0.66 -0.15 4.57 2.04 -1.16 0.11 117.51 123.06 1rkw h ILE 130 Ca 0.02 -0.10 -0.17 0.00 1.00 0.00 0.00 64.86 65.61 1rkw h ILE 130 Cb 0.53 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1rkw h ILE 130 CO -0.14 0.05 -0.58 -0.26 0.00 0.00 0.00 178.15 177.23 1rkw h PHE 131 N 0.28 0.86 -0.29 1.37 0.04 0.45 -2.09 116.94 117.57 1rkw h PHE 131 Ca 0.32 -0.37 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 1rkw h PHE 131 Cb 0.47 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1rkw h PHE 131 CO -0.23 1.16 -0.07 -0.22 -0.60 0.00 0.00 178.31 178.35 1rkw h LYS 132 N 0.32 0.56 -0.37 1.51 3.64 0.32 -2.46 116.57 120.09 1rkw h LYS 132 Ca -0.03 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1rkw h LYS 132 Cb 1.21 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1rkw h LYS 132 CO 0.12 0.76 0.25 1.49 -2.27 0.00 0.00 179.45 179.79 1rkw h GLU 133 N 0.33 0.42 -0.01 1.90 4.57 -0.83 0.95 114.58 121.92 1rkw h GLU 133 Ca 0.07 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 1rkw h GLU 133 Cb 0.55 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 1rkw h GLU 133 CO 0.03 0.28 -0.51 0.78 -1.18 0.00 0.00 179.01 178.41 1rkw h GLY 134 N 0.44 0.03 0.55 1.92 0.00 -1.10 0.12 103.07 105.02 1rkw h GLY 134 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1rkw h GLY 134 CO -0.03 0.03 -0.02 3.43 0.00 0.00 0.00 176.54 179.95 1rkw h ASN 135 N 0.02 0.05 -0.71 0.19 2.35 -0.40 0.37 115.58 117.44 1rkw h ASN 135 Ca -0.00 -0.48 0.06 0.00 -0.55 0.00 0.00 56.30 55.33 1rkw h ASN 135 Cb 0.91 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 39.21 1rkw h ASN 135 CO 0.07 0.53 0.40 -0.07 -1.65 0.00 0.00 177.43 176.71 1rkw h LEU 136 N -0.42 0.60 -0.25 1.61 4.07 -1.01 0.47 115.31 120.38 1rkw h LEU 136 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1rkw h LEU 136 Cb 0.51 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1rkw h LEU 136 CO 0.00 0.38 0.00 -3.20 -1.08 0.00 0.00 178.44 174.54 1rkw n ASN 137 N -4.76 0.36 -2.54 -0.43 5.15 0.40 -4.92 115.26 108.52 1rkw n ASN 137 Ca 0.10 -1.93 -0.15 0.00 -0.60 0.00 0.00 54.58 52.00 1rkw n ASN 137 Cb 0.19 -0.04 -0.00 0.00 -0.53 0.00 0.00 39.78 39.39 1rkw n ASN 137 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rkw n GLY 138 N 0.64 -0.50 0.20 8.20 0.00 0.15 -4.86 105.19 109.03 1rkw n GLY 138 Ca 0.04 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.14 0.00 -2.62 1.61 5.08 -0.57 -3.48 114.58 114.47 1rkw h GLU 139 Ca -0.34 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1rkw h GLU 139 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1rkw h GLU 139 CO 0.40 0.09 0.52 1.67 -1.00 0.00 0.00 179.01 180.69 1rkw s TRP 140 N -3.17 0.07 -0.33 4.33 -2.14 -1.24 -5.06 118.94 111.40 1rkw s TRP 140 Ca 0.06 -0.52 -0.01 0.00 2.66 0.00 0.00 56.10 58.29 1rkw s TRP 140 Cb 0.06 0.73 0.12 0.00 -3.10 0.00 0.00 33.47 31.27 1rkw s TRP 140 CO 0.69 -1.05 0.16 0.45 -2.66 0.00 0.00 176.95 174.55 1rkw s SER 141 N -3.32 3.44 -0.22 -2.66 0.15 -1.26 -4.32 113.70 105.52 1rkw s SER 141 Ca 0.20 -1.79 -0.09 0.00 0.70 0.00 0.00 55.95 54.97 1rkw s SER 141 Cb -0.03 -0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 63.71 1rkw s SER 141 CO 0.06 -0.37 0.10 -0.63 1.20 0.00 0.00 173.24 173.60 1rkw s ILE 142 N 1.49 4.95 -0.15 6.45 1.01 -1.26 -4.94 121.20 128.75 1rkw s ILE 142 Ca 0.13 0.03 0.19 0.00 0.00 0.00 0.00 60.65 61.01 1rkw s ILE 142 Cb -0.20 -3.28 -0.14 0.00 0.01 0.00 0.00 42.46 38.86 1rkw s ILE 142 CO -0.18 0.39 0.76 -0.46 0.00 0.00 0.00 174.94 175.45 1rkw n ASN 143 N 4.07 0.64 -3.47 3.58 0.23 -1.26 -4.41 115.26 114.64 1rkw n ASN 143 Ca -0.16 0.27 -0.35 0.00 -0.53 0.00 0.00 54.58 53.81 1rkw n ASN 143 Cb 0.52 0.63 -0.01 0.00 -2.08 0.00 0.00 39.78 38.83 1rkw n ASN 143 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1rkw n ASP 144 N -2.71 5.84 -0.24 0.53 3.85 -1.26 -4.86 116.55 117.70 1rkw n ASP 144 Ca -0.08 -3.61 0.08 0.00 -0.71 0.00 0.00 54.79 50.47 1rkw n ASP 144 Cb 0.74 -0.94 0.34 0.00 -1.35 0.00 0.00 41.12 39.91 1rkw n ASP 144 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1rkw h VAL 145 N 2.80 0.96 -0.31 2.12 2.07 -1.99 -1.14 116.25 120.75 1rkw h VAL 145 Ca 0.31 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.43 1rkw h VAL 145 Cb 0.47 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1rkw h VAL 145 CO 1.05 0.15 -0.32 0.78 0.02 0.00 0.00 177.57 179.25 1rkw h ASN 146 N 0.80 0.69 0.03 0.57 2.35 -1.97 -0.23 115.58 117.81 1rkw h ASN 146 Ca 0.38 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1rkw h ASN 146 Cb 0.42 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1rkw h ASN 146 CO -0.15 0.96 -0.02 0.00 -1.65 0.00 0.00 177.43 176.57 1rkw h ALA 147 N 1.08 -0.04 -0.93 -0.83 0.00 -1.78 -2.35 119.26 114.41 1rkw h ALA 147 Ca 0.06 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1rkw h ALA 147 Cb 0.83 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1rkw h ALA 147 CO 0.07 -0.29 0.61 0.28 0.00 0.00 0.00 179.25 179.92 1rkw h VAL 148 N -0.52 1.12 -0.37 0.00 2.07 -1.17 0.16 116.25 117.54 1rkw h VAL 148 Ca -0.00 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 1rkw h VAL 148 Cb 0.48 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1rkw h VAL 148 CO 0.01 0.20 -0.09 0.28 0.02 0.00 0.00 177.57 177.99 1rkw h SER 149 N 1.12 0.73 -0.51 0.57 0.02 -1.01 -1.09 113.55 113.37 1rkw h SER 149 Ca 0.38 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1rkw h SER 149 Cb 0.09 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1rkw h SER 149 CO -0.13 0.92 0.20 0.11 -1.14 0.00 0.00 176.83 176.80 1rkw h LYS 150 N 0.52 0.77 0.00 3.45 1.57 -0.78 -1.72 116.57 120.38 1rkw h LYS 150 Ca 0.09 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1rkw h LYS 150 Cb 0.61 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1rkw h LYS 150 CO 0.04 0.68 -0.00 0.82 -0.57 0.00 0.00 179.45 180.41 1rkw h ILE 151 N 0.69 1.04 0.21 1.86 2.04 -0.54 -1.29 117.51 121.51 1rkw h ILE 151 Ca 0.17 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1rkw h ILE 151 Cb 0.20 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1rkw h ILE 151 CO -0.01 0.03 -0.25 0.00 0.00 0.00 0.00 178.15 177.92 1rkw h ALA 152 N 0.94 -0.48 -0.54 1.87 0.00 -1.09 0.99 119.26 120.94 1rkw h ALA 152 Ca -0.00 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1rkw h ALA 152 Cb 0.06 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1rkw h ALA 152 CO 0.00 -0.81 0.12 0.00 0.00 0.00 0.00 179.25 178.56 1rkw h ALA 153 N 0.18 0.62 -0.26 0.00 0.00 -1.29 0.15 119.26 118.66 1rkw h ALA 153 Ca 0.01 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1rkw h ALA 153 Cb 0.49 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1rkw h ALA 153 CO -0.08 -0.30 -0.44 -0.91 0.00 0.00 0.00 179.25 177.52 1rkw h ASN 154 N 0.26 0.84 0.20 0.00 -0.26 -0.85 -0.16 115.58 115.61 1rkw h ASN 154 Ca 0.27 -0.53 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 1rkw h ASN 154 Cb 0.37 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1rkw h ASN 154 CO -0.35 1.21 -0.19 0.00 -1.06 0.00 0.00 177.43 177.04 1rkw h ALA 155 N 0.66 -0.39 -0.47 -0.83 0.00 -0.56 -0.81 119.26 116.86 1rkw h ALA 155 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rkw h ALA 155 Cb 1.04 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1rkw h ALA 155 CO 0.10 -0.74 0.30 0.28 0.00 0.00 0.00 179.25 179.18 1rkw h VAL 156 N -0.41 1.08 0.00 0.00 2.07 -0.66 0.11 116.25 118.44 1rkw h VAL 156 Ca -0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1rkw h VAL 156 Cb 0.38 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1rkw h VAL 156 CO -0.04 0.11 -0.04 -1.13 0.02 0.00 0.00 177.57 176.49 1rkw h ASN 157 N 0.60 0.00 -0.07 0.57 -0.00 -0.81 0.66 115.58 116.53 1rkw h ASN 157 Ca 0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.43 1rkw h ASN 157 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.30 1rkw h ASN 157 CO -0.06 0.04 -0.18 1.23 -0.00 0.00 0.00 177.43 178.46 1rkw h GLY 158 N 0.36 0.26 1.06 1.57 0.00 0.68 0.28 103.07 107.29 1rkw h GLY 158 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1rkw h GLY 158 CO 0.01 0.29 0.09 -2.22 0.00 0.00 0.00 176.54 174.71 1rkw h ILE 159 N -0.26 1.26 -0.54 2.60 2.04 -0.54 0.17 117.51 122.24 1rkw h ILE 159 Ca -0.00 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.74 1rkw h ILE 159 Cb 0.79 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1rkw h ILE 159 CO 0.04 0.39 0.03 0.58 0.00 0.00 0.00 178.15 179.18 1rkw h VAL 160 N 0.98 1.26 0.20 1.67 2.07 -0.89 -3.20 116.25 118.34 1rkw h VAL 160 Ca 0.19 -1.07 -0.33 0.00 0.82 0.00 0.00 66.70 66.32 1rkw h VAL 160 Cb 0.45 0.88 0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1rkw h VAL 160 CO 0.01 0.38 -1.51 0.74 0.02 0.00 0.00 177.57 177.22 1rkw h THR 161 N 0.82 1.23 -0.56 2.57 2.02 -0.67 -3.36 112.91 114.96 1rkw h THR 161 Ca 0.16 -2.74 0.00 0.00 0.77 0.00 0.00 66.41 64.59 1rkw h THR 161 Cb 0.50 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1rkw h THR 161 CO 0.02 0.84 0.00 0.49 0.37 0.00 0.00 175.52 177.24 1rkw n PHE 162 N -3.62 1.23 -1.19 3.16 3.72 0.59 -3.68 117.46 117.66 1rkw n PHE 162 Ca -0.17 -0.50 0.06 0.00 -0.05 0.00 0.00 57.45 56.79 1rkw n PHE 162 Cb 1.08 -0.20 0.08 0.00 -0.94 0.00 0.00 39.48 39.50 1rkw n PHE 162 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1rkw n THR 163 N 0.97 1.20 0.40 4.37 -2.24 -1.21 -4.90 114.28 112.87 1rkw n THR 163 Ca 0.22 -1.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 1rkw n THR 163 Cb 0.75 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1rkw n THR 163 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1rkw n HIS 164 N -0.89 0.00 0.00 4.78 -0.00 -1.24 -3.46 115.22 114.41 1rkw n HIS 164 Ca 0.09 -0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1rkw n HIS 164 Cb 0.61 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 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 0.51 0.00 -1.76 1.57 -0.00 -1.26 -5.08 120.64 114.62 1rkw n GLU 165 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.16 56.85 1rkw n GLU 165 Cb 0.14 -0.72 0.04 0.00 -0.00 0.00 0.00 31.44 30.90 1rkw n GLU 165 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1rkw s GLN 166 N -1.92 3.01 -0.04 3.44 0.00 -1.22 -4.95 119.66 117.97 1rkw s GLN 166 Ca 0.00 0.69 -0.31 0.00 -0.00 0.00 0.00 55.36 55.74 1rkw s GLN 166 Cb 0.00 -2.02 -0.15 0.00 0.00 0.00 0.00 33.01 30.84 1rkw s GLN 166 CO 0.00 -0.98 0.87 -1.71 0.00 0.00 0.00 175.29 173.47 1rkw n ASN 167 N -3.01 0.09 0.10 12.60 4.05 -1.26 -4.77 115.26 123.05 1rkw n ASN 167 Ca 0.07 0.90 0.16 0.00 0.45 0.00 0.00 54.58 56.16 1rkw n ASN 167 Cb 0.55 -0.71 0.68 0.00 1.23 0.00 0.00 39.78 41.53 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 2.47 0.81 0.00 -1.44 6.09 -1.96 -0.90 117.51 122.59 1rkw h ILE 168 Ca -0.39 0.00 -0.10 0.00 -1.37 0.00 0.00 64.86 63.01 1rkw h ILE 168 Cb 1.10 0.83 -0.01 0.00 0.47 0.00 0.00 36.82 39.21 1rkw h ILE 168 CO 0.53 0.00 -0.55 0.78 -3.07 0.00 0.00 178.15 175.83 1rkw h ASN 169 N 0.00 0.00 -0.19 2.19 2.35 -1.99 -1.14 115.58 116.81 1rkw h ASN 169 Ca 0.16 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 1rkw h ASN 169 Cb 0.64 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 1rkw h ASN 169 CO -0.00 0.43 -0.32 -0.08 -1.65 0.00 0.00 177.43 175.81 1rkw h GLU 170 N 0.00 0.55 -0.25 0.81 4.57 -1.54 -2.06 114.58 116.65 1rkw h GLU 170 Ca -0.02 -0.34 0.02 0.00 -1.18 0.00 0.00 59.36 57.84 1rkw h GLU 170 Cb 1.35 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.95 1rkw h GLU 170 CO 0.05 0.95 0.10 0.00 -1.18 0.00 0.00 179.01 178.93 1rkw h ARG 171 N 0.21 0.21 -0.19 1.92 3.08 -1.24 0.19 114.38 118.55 1rkw h ARG 171 Ca 0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1rkw h ARG 171 Cb 0.91 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1rkw h ARG 171 CO 0.07 0.14 0.06 0.82 -1.07 0.00 0.00 179.97 179.99 1rkw h ILE 172 N 0.22 1.09 0.27 2.04 2.04 -1.22 0.24 117.51 122.19 1rkw h ILE 172 Ca 0.11 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1rkw h ILE 172 Cb 0.06 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1rkw h ILE 172 CO -0.10 0.11 -0.13 0.50 0.00 0.00 0.00 178.15 178.53 1rkw h LYS 173 N 0.27 -0.34 -0.26 2.37 3.64 -0.36 -1.81 116.57 120.07 1rkw h LYS 173 Ca 0.07 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1rkw h LYS 173 Cb 0.09 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1rkw h LYS 173 CO -0.01 -0.01 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.05 1rkw h LEU 174 N -0.73 -0.20 -1.27 5.20 3.38 -0.43 -1.16 115.31 120.10 1rkw h LEU 174 Ca -0.04 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1rkw h LEU 174 Cb 0.49 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 1rkw h LEU 174 CO 0.06 -0.07 0.59 -0.03 0.09 0.00 0.00 178.44 179.08 1rkw h MET 175 N 0.03 0.65 -0.13 1.13 4.05 -0.49 0.50 114.93 120.66 1rkw h MET 175 Ca 0.13 -0.04 -0.16 0.00 -0.28 0.00 0.00 59.70 59.34 1rkw h MET 175 Cb 0.18 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1rkw h MET 175 CO -0.25 0.43 -0.60 -0.91 0.23 0.00 0.00 176.91 175.81 1rkw h ASN 176 N 0.67 0.51 0.11 1.39 2.35 -0.38 -0.61 115.58 119.61 1rkw h ASN 176 Ca 0.47 -0.29 -0.12 0.00 -0.55 0.00 0.00 56.30 55.81 1rkw h ASN 176 Cb 0.81 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1rkw h ASN 176 CO -0.23 0.99 -0.42 0.50 -1.65 0.00 0.00 177.43 176.62 1rkw h LYS 177 N 0.33 0.40 0.61 0.81 1.63 0.15 -0.84 116.57 119.67 1rkw h LYS 177 Ca -0.00 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.56 1rkw h LYS 177 Cb 1.14 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1rkw h LYS 177 CO 0.11 0.75 -0.30 0.35 -3.45 0.00 0.00 179.45 176.91 1rkw h PHE 178 N 0.33 -0.77 -0.95 1.91 3.57 0.32 -1.10 116.94 120.25 1rkw h PHE 178 Ca 0.03 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.69 1rkw h PHE 178 Cb 0.88 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.79 1rkw h PHE 178 CO 0.03 -0.43 0.61 0.77 -2.23 0.00 0.00 178.31 177.05 1rkw h SER 179 N -1.01 0.64 0.13 0.41 0.02 -1.05 0.18 113.55 112.87 1rkw h SER 179 Ca -0.08 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1rkw h SER 179 Cb 0.68 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1rkw h SER 179 CO 0.14 0.26 -0.08 -0.61 -1.14 0.00 0.00 176.83 175.40 1rkw h GLN 180 N 0.64 -0.19 -0.55 3.45 -0.00 -0.96 -2.28 115.11 115.22 1rkw h GLN 180 Ca 0.52 0.01 0.11 0.00 -0.00 0.00 0.00 58.65 59.29 1rkw h GLN 180 Cb 0.95 0.04 -0.09 0.00 0.00 0.00 0.00 27.48 28.38 1rkw h GLN 180 CO -0.27 -0.13 0.04 0.82 0.00 0.00 0.00 178.83 179.29 1rkw h ILE 181 N -0.20 0.60 0.18 2.39 2.04 -0.42 -0.41 117.51 121.68 1rkw h ILE 181 Ca -0.02 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1rkw h ILE 181 Cb 0.16 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1rkw h ILE 181 CO 0.01 0.03 -0.22 0.15 0.00 0.00 0.00 178.15 178.13 1rkw h PHE 182 N 0.16 -0.61 -0.98 1.37 3.57 -0.69 -1.78 116.94 117.99 1rkw h PHE 182 Ca 0.28 0.01 0.22 0.00 3.53 0.00 0.00 57.97 62.01 1rkw h PHE 182 Cb 0.43 0.24 -0.12 0.00 2.79 0.00 0.00 35.95 39.30 1rkw h PHE 182 CO -0.30 -0.28 0.56 -0.07 -2.23 0.00 0.00 178.31 175.99 1rkw h LEU 183 N -0.41 0.66 -1.19 0.59 3.38 -1.23 0.36 115.31 117.47 1rkw h LEU 183 Ca -0.02 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rkw h LEU 183 Cb 0.36 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1rkw h LEU 183 CO -0.04 0.16 0.00 -1.13 0.09 0.00 0.00 178.44 177.52 1rkw h ASN 184 N 0.63 0.00 0.39 -0.43 -1.24 -0.59 -1.60 115.58 112.73 1rkw h ASN 184 Ca 0.60 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.61 1rkw h ASN 184 Cb 1.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.10 1rkw h ASN 184 CO -0.44 0.00 -0.93 0.61 -1.29 0.00 0.00 177.43 175.38 1rkw n GLY 185 N -0.52 -1.19 0.18 1.57 0.00 0.13 -4.08 105.19 101.29 1rkw n GLY 185 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.64 1rkw n GLY 185 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rkw h LEU 186 N 0.00 0.00 -0.42 0.99 3.38 -1.04 -3.52 115.31 114.70 1rkw h LEU 186 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rkw h LEU 186 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1rkw h LEU 186 CO 0.00 0.40 0.00 -1.54 0.09 0.00 0.00 178.44 177.39