#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pir s LEU 2 N 0.00 3.02 0.00 0.00 1.02 -1.26 -1.55 118.68 119.91 1pir s LEU 2 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.73 1pir s LEU 2 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 46.19 43.65 1pir s LEU 2 CO 0.00 -3.27 0.00 -2.67 0.02 0.00 0.00 176.35 170.43 1pir n TRP 3 N 16.06 0.00 0.78 0.29 4.27 -1.26 -4.85 117.44 132.73 1pir n TRP 3 Ca 0.43 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 54.11 1pir n TRP 3 Cb 0.45 0.00 0.40 0.00 -1.36 0.00 0.00 31.31 30.80 1pir n TRP 3 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 1pir n GLN 4 N -1.10 0.29 -0.35 -2.67 -0.06 -1.26 -1.70 117.38 110.53 1pir n GLN 4 Ca 0.00 0.10 0.06 0.00 -2.00 0.00 0.00 57.00 55.16 1pir n GLN 4 Cb 0.00 -1.50 0.21 0.00 -4.06 0.00 0.00 30.24 24.89 1pir n GLN 4 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 1pir h PHE 5 N 0.00 1.09 0.09 3.69 3.57 -1.85 -0.47 116.94 123.06 1pir h PHE 5 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pir h PHE 5 Cb 0.10 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1pir h PHE 5 CO 0.00 0.45 -0.05 0.00 -2.23 0.00 0.00 178.31 176.49 1pir h ARG 6 N 0.97 -0.12 -0.93 1.11 -0.00 -1.68 -1.78 114.38 111.95 1pir h ARG 6 Ca 0.47 0.01 0.22 0.00 -0.50 0.00 0.00 59.98 60.17 1pir h ARG 6 Cb 0.42 0.03 -0.17 0.00 0.00 0.00 0.00 29.97 30.24 1pir h ARG 6 CO -0.25 0.11 -0.11 0.45 0.00 0.00 0.00 179.97 180.17 1pir n SER 7 N -5.04 -0.23 0.15 7.04 2.88 -1.24 -2.55 113.62 114.62 1pir n SER 7 Ca -0.08 1.59 -0.12 0.00 -1.33 0.00 0.00 58.87 58.92 1pir n SER 7 Cb 0.16 -0.53 -0.07 0.00 -0.75 0.00 0.00 64.21 63.03 1pir n SER 7 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1pir h MET 8 N 0.00 -0.60 0.00 -1.46 -1.53 -0.72 -3.24 114.93 107.38 1pir h MET 8 Ca 0.50 0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.80 1pir h MET 8 Cb 0.90 0.14 0.00 0.00 -0.55 0.00 0.00 31.60 32.09 1pir h MET 8 CO -0.92 -0.40 0.00 -0.89 0.14 0.00 0.00 176.91 174.84 1pir n ILE 9 N -4.57 0.76 0.33 1.77 5.41 -0.70 -2.68 119.36 119.68 1pir n ILE 9 Ca -0.07 0.14 -0.14 0.00 1.00 0.00 0.00 62.75 63.67 1pir n ILE 9 Cb 0.31 -0.96 -0.07 0.00 -0.71 0.00 0.00 39.64 38.21 1pir n ILE 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1pir h LYS 10 N 0.00 -0.85 -0.36 0.38 1.79 -1.54 -2.91 116.57 113.08 1pir h LYS 10 Ca 0.00 0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.56 1pir h LYS 10 Cb 0.40 0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 31.20 1pir h LYS 10 CO 0.00 -0.55 -0.21 0.00 -1.08 0.00 0.00 179.45 177.61 1pir n ALA 12 N -3.54 2.52 -3.86 0.00 0.00 -1.12 -4.67 120.51 109.83 1pir n ALA 12 Ca 0.01 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 1pir n ALA 12 Cb 0.09 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 17.98 1pir n ALA 12 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pir s ILE 13 N -2.79 2.66 -0.54 0.00 1.01 -1.07 -4.41 121.20 116.06 1pir s ILE 13 Ca 0.21 -4.07 -0.29 0.00 0.00 0.00 0.00 60.65 56.50 1pir s ILE 13 Cb 0.19 -2.76 -0.11 0.00 0.01 0.00 0.00 42.46 39.80 1pir s ILE 13 CO 0.51 -1.01 2.42 -2.65 0.00 0.00 0.00 174.94 174.21 1pir n PRO 14 N 2.13 0.92 0.00 2.79 -0.02 -1.26 -4.07 135.00 135.49 1pir n PRO 14 Ca 0.19 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1pir n PRO 14 Cb 0.36 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 1pir n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pir n GLY 15 N 6.20 2.22 3.77 -1.23 0.00 -1.26 -5.06 105.19 109.82 1pir n GLY 15 Ca 0.43 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1pir n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pir s SER 16 N -4.00 6.64 -0.19 1.61 0.01 -1.26 -5.02 113.70 111.50 1pir s SER 16 Ca 0.00 2.55 -0.29 0.00 1.31 0.00 0.00 55.95 59.52 1pir s SER 16 Cb 0.00 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 1pir s SER 16 CO 0.00 -0.61 1.21 -1.00 0.41 0.00 0.00 173.24 173.25 1pir s HIS 17 N -1.24 2.95 0.12 2.43 3.76 -1.26 -4.86 115.29 117.19 1pir s HIS 17 Ca 0.52 1.10 0.00 0.00 -0.15 0.00 0.00 55.06 56.54 1pir s HIS 17 Cb -0.36 -3.48 0.00 0.00 1.11 0.00 0.00 32.58 29.85 1pir s HIS 17 CO 0.47 -1.43 0.00 -2.30 -0.85 0.00 0.00 174.74 170.63 1pir n PRO 18 N 6.59 0.75 0.00 8.40 -0.02 -1.26 -4.09 135.00 145.37 1pir n PRO 18 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1pir n PRO 18 Cb 0.45 -0.24 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 1pir n PRO 18 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pir n LEU 19 N 0.00 0.00 0.15 2.45 7.99 -1.26 -1.05 117.00 125.28 1pir n LEU 19 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.86 1pir n LEU 19 Cb 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.23 1pir n LEU 19 CO 0.00 0.00 0.73 0.24 -1.51 0.00 0.00 177.39 176.85 1pir h MET 20 N 0.00 -0.32 0.06 3.23 2.86 -2.01 -1.67 114.93 117.08 1pir h MET 20 Ca 0.00 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1pir h MET 20 Cb 0.00 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1pir h MET 20 CO 0.00 -0.13 -0.03 -0.44 1.06 0.00 0.00 176.91 177.37 1pir h ASP 21 N -0.44 -0.07 0.26 1.22 5.19 -1.67 -3.45 116.42 117.47 1pir h ASP 21 Ca -0.03 -0.48 -0.01 0.00 -0.62 0.00 0.00 57.03 55.88 1pir h ASP 21 Cb 0.33 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.86 1pir h ASP 21 CO 0.05 0.47 -0.13 -0.26 -3.12 0.00 0.00 179.24 176.26 1pir h PHE 22 N -0.63 -0.33 -0.53 4.55 0.04 -0.96 -3.38 116.94 115.70 1pir h PHE 22 Ca -0.01 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1pir h PHE 22 Cb 0.54 0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.77 1pir h PHE 22 CO 0.10 0.02 0.35 -0.97 -0.60 0.00 0.00 178.31 177.22 1pir h ASN 23 N -0.74 0.52 -1.00 2.17 -1.24 -1.56 -2.64 115.58 111.09 1pir h ASN 23 Ca -0.04 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 56.98 1pir h ASN 23 Cb 0.49 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 39.37 1pir h ASN 23 CO 0.06 0.36 0.66 0.78 -1.29 0.00 0.00 177.43 177.99 1pir h ASN 24 N 0.60 1.14 -4.08 1.15 2.35 -1.75 -3.48 115.58 111.51 1pir h ASN 24 Ca 0.22 -0.03 -0.48 0.00 -0.55 0.00 0.00 56.30 55.46 1pir h ASN 24 Cb 0.11 -0.28 0.15 0.00 0.05 0.00 0.00 38.32 38.35 1pir h ASN 24 CO -0.06 0.82 0.25 -0.72 -1.65 0.00 0.00 177.43 176.07 1pir s TYR 25 N -6.12 2.31 0.35 1.19 -0.85 -1.00 -4.40 117.35 108.84 1pir s TYR 25 Ca -0.13 1.27 0.00 0.00 -0.52 0.00 0.00 57.07 57.69 1pir s TYR 25 Cb 0.18 -3.16 0.00 0.00 0.38 0.00 0.00 41.96 39.36 1pir s TYR 25 CO 0.82 -2.39 0.00 0.41 -1.52 0.00 0.00 175.55 172.87 1pir n GLY 26 N -1.11 -2.79 0.07 5.49 0.00 -0.28 -4.83 105.19 101.75 1pir n GLY 26 Ca 0.07 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1pir n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pir n TYR 28 N -3.40 0.55 -1.02 0.00 4.11 -1.26 -4.94 117.16 111.20 1pir n TYR 28 Ca -0.02 -3.71 0.09 0.00 -0.00 0.00 0.00 57.90 54.26 1pir n TYR 28 Cb 0.96 -0.40 0.17 0.00 -0.00 0.00 0.00 39.34 40.07 1pir n TYR 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pir n GLY 30 N -1.14 0.83 3.19 0.00 0.00 -1.26 -5.04 105.19 101.78 1pir n GLY 30 Ca 0.17 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1pir n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pir s LEU 31 N 0.00 2.34 0.00 0.99 1.43 -1.26 -4.82 118.68 117.36 1pir s LEU 31 Ca 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1pir s LEU 31 Cb 0.00 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1pir s LEU 31 CO 0.00 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1pir n GLY 32 N 4.49 1.15 1.96 -3.19 0.00 -1.26 -5.00 105.19 103.33 1pir n GLY 32 Ca -0.20 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1pir n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pir n GLY 33 N 0.00 2.95 3.56 -0.02 0.00 -1.26 -4.96 105.19 105.45 1pir n GLY 33 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1pir n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pir s SER 34 N -0.07 4.65 0.00 1.61 1.04 -1.26 -4.78 113.70 114.90 1pir s SER 34 Ca 0.00 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1pir s SER 34 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1pir s SER 34 CO 0.00 -2.72 0.00 0.61 0.98 0.00 0.00 173.24 172.11 1pir n GLY 35 N 5.93 1.18 0.00 7.32 0.00 -1.26 -5.13 105.19 113.23 1pir n GLY 35 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1pir n GLY 35 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pir n THR 36 N 0.00 0.00 0.00 2.61 5.66 -1.26 -5.13 114.28 116.16 1pir n THR 36 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1pir n THR 36 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1pir n THR 36 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1pir n PRO 37 N 0.00 0.13 0.00 1.09 -0.02 -1.26 -4.64 135.00 130.30 1pir n PRO 37 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1pir n PRO 37 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1pir n PRO 37 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1pir n VAL 38 N 0.00 0.00 -3.96 -1.45 0.24 -1.23 -3.94 118.33 108.00 1pir n VAL 38 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 1pir n VAL 38 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 1pir n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1pir s ASP 39 N 1.97 6.13 0.00 -1.34 2.15 -1.26 -5.02 116.67 119.31 1pir s ASP 39 Ca 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1pir s ASP 39 Cb 0.00 -1.72 0.01 0.00 -0.30 0.00 0.00 42.92 40.91 1pir s ASP 39 CO 0.00 -0.10 0.08 -1.84 -0.17 0.00 0.00 175.17 173.14 1pir n GLU 40 N -1.39 0.04 0.00 4.34 0.00 -1.26 -2.67 120.64 119.70 1pir n GLU 40 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.20 1pir n GLU 40 Cb 0.57 -1.04 0.29 0.00 0.00 0.00 0.00 31.44 31.26 1pir n GLU 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1pir n LEU 41 N -0.54 0.55 0.22 -1.84 7.94 -1.05 -1.27 117.00 121.02 1pir n LEU 41 Ca 0.00 -0.02 0.09 0.00 -1.11 0.00 0.00 56.01 54.97 1pir n LEU 41 Cb 0.00 -0.24 0.46 0.00 0.53 0.00 0.00 43.42 44.17 1pir n LEU 41 CO 0.00 0.13 0.79 -0.78 -1.11 0.00 0.00 177.39 176.42 1pir h ASP 42 N 0.18 0.00 0.70 1.96 1.82 -1.84 -3.31 116.42 115.93 1pir h ASP 42 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1pir h ASP 42 Cb 0.50 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.51 1pir h ASP 42 CO 0.00 0.25 -0.07 -0.09 -1.61 0.00 0.00 179.24 177.72 1pir h ARG 43 N 0.00 0.00 0.00 0.28 1.12 -1.36 -0.42 114.38 114.00 1pir h ARG 43 Ca -0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 59.98 58.76 1pir h ARG 43 Cb 0.73 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.68 1pir h ARG 43 CO 0.03 0.07 -0.59 0.00 -3.11 0.00 0.00 179.97 176.36 1pir h GLU 46 N 1.06 -0.13 -0.12 0.00 4.57 -1.11 -0.90 114.58 117.95 1pir h GLU 46 Ca 0.24 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.38 1pir h GLU 46 Cb 0.25 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1pir h GLU 46 CO -0.01 -0.09 -0.09 1.15 -1.18 0.00 0.00 179.01 178.79 1pir h THR 47 N -0.13 1.34 -0.50 0.32 2.02 -1.66 -1.70 112.91 112.59 1pir h THR 47 Ca 0.20 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 1pir h THR 47 Cb 0.53 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 1pir h THR 47 CO -0.81 0.35 0.16 -0.74 0.37 0.00 0.00 175.52 174.84 1pir h HIS 48 N -0.09 0.75 -0.09 3.16 -0.00 -1.60 -0.87 115.15 116.41 1pir h HIS 48 Ca 0.02 -0.05 -0.15 0.00 -0.00 0.00 0.00 60.37 60.19 1pir h HIS 48 Cb 0.59 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 1pir h HIS 48 CO 0.08 0.61 -0.61 0.38 -0.00 0.00 0.00 177.93 178.39 1pir h ASP 49 N 0.73 0.37 1.55 3.26 3.04 -1.16 -1.67 116.42 122.53 1pir h ASP 49 Ca 0.17 -0.21 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 1pir h ASP 49 Cb 0.21 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 1pir h ASP 49 CO -0.01 0.89 -0.11 -1.13 -2.04 0.00 0.00 179.24 176.84 1pir h ASN 50 N 0.24 0.00 0.12 4.15 -1.24 -1.31 -1.00 115.58 116.54 1pir h ASN 50 Ca -0.01 -0.02 -0.23 0.00 0.71 0.00 0.00 56.30 56.75 1pir h ASN 50 Cb 1.13 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.20 1pir h ASN 50 CO 0.10 0.01 -0.98 0.00 -1.29 0.00 0.00 177.43 175.27 1pir h TYR 52 N -0.04 0.00 -0.16 0.00 -1.99 -1.38 -1.54 116.97 111.86 1pir h TYR 52 Ca -0.16 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.61 1pir h TYR 52 Cb 1.72 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.42 1pir h TYR 52 CO 0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 178.16 178.26 1pir h ARG 53 N 0.00 -0.02 0.00 4.88 2.47 -1.26 -2.76 114.38 117.69 1pir h ARG 53 Ca 0.11 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 1pir h ARG 53 Cb 0.46 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1pir h ARG 53 CO -0.00 -0.01 -0.05 -0.44 0.56 0.00 0.00 179.97 180.03 1pir h ASP 54 N -0.02 0.00 -0.51 7.04 3.32 -1.42 -2.92 116.42 121.91 1pir h ASP 54 Ca 0.08 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1pir h ASP 54 Cb 0.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1pir h ASP 54 CO -0.17 0.05 -0.13 0.00 -1.72 0.00 0.00 179.24 177.26 1pir h ALA 55 N 1.95 0.70 -0.45 3.45 0.00 -1.17 -3.22 119.26 120.52 1pir h ALA 55 Ca -0.00 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.64 1pir h ALA 55 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1pir h ALA 55 CO 0.01 0.63 0.31 1.57 0.00 0.00 0.00 179.25 181.76 1pir h LYS 56 N 0.85 0.23 0.00 0.00 2.10 -1.29 -2.52 116.57 115.94 1pir h LYS 56 Ca 0.13 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1pir h LYS 56 Cb 0.70 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1pir h LYS 56 CO 0.05 0.16 0.00 -1.71 -2.00 0.00 0.00 179.45 175.95 1pir n ASN 57 N -4.46 0.32 -4.60 7.07 5.15 -1.22 -4.65 115.26 112.87 1pir n ASN 57 Ca 0.07 0.58 -0.43 0.00 -0.60 0.00 0.00 54.58 54.20 1pir n ASN 57 Cb 0.34 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 38.91 1pir n ASN 57 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1pir s LEU 58 N -3.71 3.93 0.54 1.20 2.96 -0.95 -4.96 118.68 117.69 1pir s LEU 58 Ca 0.05 0.57 0.19 0.00 -0.22 0.00 0.00 54.13 54.73 1pir s LEU 58 Cb 0.09 -3.34 1.40 0.00 0.50 0.00 0.00 46.19 44.84 1pir s LEU 58 CO 0.31 -0.95 2.18 0.44 -1.32 0.00 0.00 176.35 177.00 1pir h ASP 59 N 8.62 0.00 0.39 3.68 3.32 -1.91 -3.20 116.42 127.32 1pir h ASP 59 Ca -0.23 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1pir h ASP 59 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1pir h ASP 59 CO 1.02 0.00 -0.19 0.28 -1.72 0.00 0.00 179.24 178.63 1pir h SER 60 N 0.00 -0.44 -3.65 6.45 0.02 -1.95 -3.39 113.55 110.59 1pir h SER 60 Ca 0.00 0.02 -0.67 0.00 -0.84 0.00 0.00 61.79 60.29 1pir h SER 60 Cb 0.00 0.11 -0.38 0.00 0.14 0.00 0.00 62.40 62.28 1pir h SER 60 CO -0.00 -0.20 -0.67 0.00 -1.14 0.00 0.00 176.83 174.82 1pir s LYS 62 N 1.00 3.61 -0.56 0.00 2.47 -1.21 -4.82 119.74 120.23 1pir s LYS 62 Ca 0.08 -0.07 -0.04 0.00 -1.56 0.00 0.00 55.97 54.38 1pir s LYS 62 Cb -0.20 -3.00 0.04 0.00 -1.46 0.00 0.00 37.83 33.21 1pir s LYS 62 CO -0.06 0.58 2.79 1.19 0.16 0.00 0.00 175.35 180.01 1pir n PHE 63 N 0.72 1.62 0.28 4.03 3.01 -1.26 -1.05 117.46 124.81 1pir n PHE 63 Ca -0.08 -2.05 0.17 0.00 1.01 0.00 0.00 57.45 56.51 1pir n PHE 63 Cb 0.52 -1.48 0.75 0.00 -0.01 0.00 0.00 39.48 39.26 1pir n PHE 63 CO 0.00 0.00 0.00 1.37 1.01 0.00 0.00 176.76 179.14 1pir h LEU 64 N 4.31 0.00 -8.21 4.37 8.10 -1.95 -3.42 115.31 118.51 1pir h LEU 64 Ca 0.43 0.00 -0.45 0.00 0.11 0.00 0.00 57.88 57.97 1pir h LEU 64 Cb 0.72 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.87 1pir h LEU 64 CO 0.92 0.02 1.11 0.68 -4.11 0.00 0.00 178.44 177.07 1pir s VAL 65 N -3.76 3.65 0.12 0.15 -7.23 -0.22 -4.93 120.40 108.18 1pir s VAL 65 Ca 0.00 -0.44 -0.19 0.00 -1.81 0.00 0.00 61.98 59.54 1pir s VAL 65 Cb 0.10 -4.49 -0.05 0.00 0.56 0.00 0.00 36.38 32.50 1pir s VAL 65 CO 0.53 -1.41 1.71 -0.78 -0.31 0.00 0.00 175.10 174.84 1pir h ASP 66 N 10.85 0.35 -1.65 4.85 3.58 -1.88 -3.40 116.42 129.11 1pir h ASP 66 Ca 0.09 -0.10 -0.28 0.00 0.42 0.00 0.00 57.03 57.15 1pir h ASP 66 Cb 1.02 -0.09 -0.27 0.00 1.72 0.00 0.00 39.33 41.71 1pir h ASP 66 CO 1.31 0.35 -0.63 0.20 -2.88 0.00 0.00 179.24 177.59 1pir s ASN 67 N -5.59 0.26 -1.25 2.28 0.01 -1.26 -5.00 114.94 104.39 1pir s ASN 67 Ca -0.13 -1.49 -0.05 0.00 -0.71 0.00 0.00 52.86 50.48 1pir s ASN 67 Cb 0.09 0.98 0.16 0.00 0.41 0.00 0.00 41.25 42.88 1pir s ASN 67 CO 0.71 -0.21 2.29 -0.81 -1.51 0.00 0.00 177.10 177.57 1pir n PRO 68 N 4.08 4.71 0.04 -0.60 -0.04 -1.26 -4.79 135.00 137.14 1pir n PRO 68 Ca 0.13 -3.67 0.12 0.00 -0.04 0.00 0.00 63.50 60.05 1pir n PRO 68 Cb 0.49 -2.59 0.27 0.00 -0.04 0.00 0.00 33.50 31.63 1pir n PRO 68 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pir n TYR 69 N 1.35 0.34 -0.12 0.54 4.01 -1.26 -4.69 117.16 117.33 1pir n TYR 69 Ca 0.59 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 58.43 1pir n TYR 69 Cb 0.25 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 1pir n TYR 69 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1pir n THR 70 N -1.85 0.00 -2.66 -0.72 5.66 -0.59 -4.37 114.28 109.75 1pir n THR 70 Ca 0.05 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.61 1pir n THR 70 Cb 0.39 0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1pir n THR 70 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1pir n GLU 71 N 0.00 3.25 0.00 1.09 1.02 -1.26 -1.79 120.64 122.94 1pir n GLU 71 Ca 0.00 -3.44 0.00 0.00 -0.02 0.00 0.00 57.16 53.70 1pir n GLU 71 Cb 0.00 -3.33 0.00 0.00 -0.02 0.00 0.00 31.44 28.09 1pir n GLU 71 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1pir n SER 72 N 7.28 0.00 -4.37 1.62 3.41 -1.26 -4.99 113.62 115.31 1pir n SER 72 Ca 0.45 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.86 1pir n SER 72 Cb 0.44 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1pir n SER 72 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1pir s TYR 73 N 0.00 1.82 0.00 7.33 -0.85 -0.74 -4.95 117.35 119.95 1pir s TYR 73 Ca 0.00 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 56.01 1pir s TYR 73 Cb 0.00 -0.84 0.00 0.00 0.38 0.00 0.00 41.96 41.50 1pir s TYR 73 CO 0.00 0.41 0.00 0.45 -1.52 0.00 0.00 175.55 174.89 1pir n SER 74 N -0.43 0.45 -3.98 -0.18 2.88 -1.26 -4.77 113.62 106.33 1pir n SER 74 Ca -0.07 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.35 1pir n SER 74 Cb 0.60 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.99 1pir n SER 74 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1pir s TYR 75 N -0.25 0.81 0.26 0.66 1.13 -1.26 -2.01 117.35 116.69 1pir s TYR 75 Ca 0.00 -1.08 0.09 0.00 -1.41 0.00 0.00 57.07 54.67 1pir s TYR 75 Cb 0.00 -0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.64 1pir s TYR 75 CO 0.00 -0.86 0.01 -1.12 -2.51 0.00 0.00 175.55 171.07 1pir s SER 76 N -3.11 4.62 0.00 -0.18 0.01 -1.16 -4.64 113.70 109.24 1pir s SER 76 Ca 0.31 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1pir s SER 76 Cb 0.03 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1pir s SER 76 CO 0.12 0.00 0.00 0.00 0.41 0.00 0.00 173.24 173.77 1pir n SER 78 N 0.00 0.00 0.00 0.00 2.88 -1.24 -4.45 113.62 110.82 1pir n SER 78 Ca 0.00 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 1pir n SER 78 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1pir n SER 78 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1pir n ASN 79 N 0.00 0.00 0.11 -3.46 2.85 -1.26 -4.78 115.26 108.71 1pir n ASN 79 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 1pir n ASN 79 Cb 0.21 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.16 1pir n ASN 79 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1pir h THR 80 N 0.00 0.67 -4.44 -0.44 1.35 -1.83 -3.44 112.91 104.78 1pir h THR 80 Ca 0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1pir h THR 80 Cb 0.00 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1pir h THR 80 CO 0.00 0.16 0.00 1.21 -0.25 0.00 0.00 175.52 176.64 1pir n GLU 81 N -5.02 -0.88 -2.78 4.72 4.07 -1.26 -4.23 120.64 115.26 1pir n GLU 81 Ca -0.08 -0.01 -0.40 0.00 -0.06 0.00 0.00 57.16 56.60 1pir n GLU 81 Cb 0.26 0.03 -0.06 0.00 -0.06 0.00 0.00 31.44 31.61 1pir n GLU 81 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1pir s ILE 82 N -2.68 4.22 0.00 6.31 1.01 -1.26 -3.59 121.20 125.21 1pir s ILE 82 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.67 1pir s ILE 82 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1pir s ILE 82 CO 0.00 0.46 0.00 1.07 0.00 0.00 0.00 174.94 176.47 1pir n THR 83 N 1.82 0.00 -3.70 2.92 5.66 -1.13 -4.87 114.28 114.97 1pir n THR 83 Ca -0.02 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.97 1pir n THR 83 Cb 0.48 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.25 1pir n THR 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pir n ASN 85 N -0.48 3.94 0.13 0.00 2.85 -0.85 -2.97 115.26 117.88 1pir n ASN 85 Ca -0.07 0.98 0.12 0.00 -0.11 0.00 0.00 54.58 55.49 1pir n ASN 85 Cb 0.62 -1.52 0.11 0.00 1.24 0.00 0.00 39.78 40.23 1pir n ASN 85 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1pir h SER 86 N 8.82 0.00 -0.31 1.20 0.87 -1.95 0.11 113.55 122.29 1pir h SER 86 Ca -0.47 -0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.13 1pir h SER 86 Cb 1.23 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1pir h SER 86 CO 0.94 0.02 0.95 2.29 -0.53 0.00 0.00 176.83 180.51 1pir n LYS 87 N -2.63 0.02 0.00 2.24 2.85 -1.26 -5.00 118.16 114.38 1pir n LYS 87 Ca 0.02 0.86 0.00 0.00 -1.05 0.00 0.00 58.31 58.14 1pir n LYS 87 Cb 0.51 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.63 1pir n LYS 87 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1pir n ASN 88 N -2.52 0.00 0.00 -5.58 5.15 0.37 -5.03 115.26 107.65 1pir n ASN 88 Ca 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1pir n ASN 88 Cb 1.05 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.30 1pir n ASN 88 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1pir n ASN 89 N 0.00 0.00 -0.03 1.20 2.85 -1.26 -4.85 115.26 113.17 1pir n ASN 89 Ca 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.45 1pir n ASN 89 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 1pir n ASN 89 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pir n ALA 90 N -3.00 0.24 -0.02 5.20 0.00 -1.26 -4.38 120.51 117.29 1pir n ALA 90 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 53.44 52.96 1pir n ALA 90 Cb 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.32 1pir n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pir h GLU 92 N 0.03 0.23 0.25 0.00 5.08 -1.92 -2.74 114.58 115.50 1pir h GLU 92 Ca -0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1pir h GLU 92 Cb 2.03 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 1pir h GLU 92 CO 0.07 0.15 -0.22 0.00 -1.00 0.00 0.00 179.01 178.01 1pir h ALA 93 N 1.59 -0.47 0.24 3.43 0.00 -1.76 -2.86 119.26 119.41 1pir h ALA 93 Ca 0.38 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1pir h ALA 93 Cb 0.64 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1pir h ALA 93 CO -0.50 -0.79 -0.31 0.35 0.00 0.00 0.00 179.25 177.99 1pir h PHE 94 N -0.49 -0.84 -0.28 0.00 3.04 -1.35 0.18 116.94 117.19 1pir h PHE 94 Ca -0.01 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.81 1pir h PHE 94 Cb 0.45 0.34 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1pir h PHE 94 CO -0.15 -0.44 -0.40 0.82 -2.02 0.00 0.00 178.31 176.13 1pir h ILE 95 N -0.61 1.29 0.00 1.41 1.08 -1.63 -2.09 117.51 116.97 1pir h ILE 95 Ca 0.00 -1.57 -0.05 0.00 -0.39 0.00 0.00 64.86 62.86 1pir h ILE 95 Cb 0.58 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 1pir h ILE 95 CO -0.11 0.50 -0.22 0.00 -0.69 0.00 0.00 178.15 177.63 1pir h ASN 97 N 0.00 0.00 0.14 0.00 -0.26 -0.58 0.14 115.58 115.02 1pir h ASN 97 Ca -0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1pir h ASN 97 Cb 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1pir h ASN 97 CO 0.03 0.24 -0.07 0.00 -1.06 0.00 0.00 177.43 176.57 1pir n ASP 99 N -4.88 0.32 0.19 0.00 2.03 -0.86 -2.19 116.55 111.15 1pir n ASP 99 Ca -0.06 0.63 -0.10 0.00 0.52 0.00 0.00 54.79 55.78 1pir n ASP 99 Cb 0.23 -0.66 -0.05 0.00 -0.72 0.00 0.00 41.12 39.91 1pir n ASP 99 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1pir h ARG 100 N 0.00 -0.52 -0.45 -0.67 0.11 -0.84 -3.10 114.38 108.91 1pir h ARG 100 Ca 0.00 0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.12 1pir h ARG 100 Cb 0.07 0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.25 1pir h ARG 100 CO 0.00 -0.28 0.30 -0.97 0.10 0.00 0.00 179.97 179.12 1pir h ASN 101 N -1.09 0.52 -0.00 0.08 -0.73 -1.52 0.11 115.58 112.94 1pir h ASN 101 Ca -0.05 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.10 1pir h ASN 101 Cb 0.48 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.94 1pir h ASN 101 CO 0.09 0.38 -0.00 0.00 -0.37 0.00 0.00 177.43 177.53 1pir n ALA 102 N -2.22 -0.00 0.29 1.57 0.00 -0.99 -0.51 120.51 118.65 1pir n ALA 102 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1pir n ALA 102 Cb 0.02 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 1pir n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pir h ALA 103 N -0.04 -0.78 -0.88 0.00 0.00 -0.77 -2.85 119.26 113.95 1pir h ALA 103 Ca 0.00 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.89 1pir h ALA 103 Cb 0.00 0.30 -0.16 0.00 0.00 0.00 0.00 17.79 17.93 1pir h ALA 103 CO -0.00 -0.76 -0.26 0.82 0.00 0.00 0.00 179.25 179.05 1pir h ILE 104 N -1.13 0.10 0.00 0.00 2.04 -1.20 -3.27 117.51 114.05 1pir h ILE 104 Ca -0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1pir h ILE 104 Cb 0.64 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1pir h ILE 104 CO 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 178.15 177.96 1pir h PHE 106 N 0.00 0.00 0.01 0.00 0.04 -1.56 0.11 116.94 115.55 1pir h PHE 106 Ca -0.01 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.48 1pir h PHE 106 Cb 1.12 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.23 1pir h PHE 106 CO 0.00 0.00 -1.57 1.03 -0.60 0.00 0.00 178.31 177.17 1pir h SER 107 N 0.00 0.02 -0.13 2.17 0.87 -1.47 -3.41 113.55 111.60 1pir h SER 107 Ca 0.00 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1pir h SER 107 Cb 0.10 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1pir h SER 107 CO 0.00 1.04 -0.12 0.11 -0.53 0.00 0.00 176.83 177.33 1pir h LYS 108 N 0.00 0.30 -6.80 2.24 1.57 -0.53 -3.47 116.57 109.89 1pir h LYS 108 Ca -0.23 -0.16 -0.49 0.00 -1.87 0.00 0.00 60.65 57.90 1pir h LYS 108 Cb 1.97 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.27 1pir h LYS 108 CO 0.09 0.70 0.38 0.00 -0.57 0.00 0.00 179.45 180.05 1pir s ALA 109 N -4.32 3.32 -0.35 3.86 0.00 0.35 -5.05 121.76 119.57 1pir s ALA 109 Ca -0.14 0.68 -0.32 0.00 0.00 0.00 0.00 51.96 52.18 1pir s ALA 109 Cb 0.05 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.79 1pir s ALA 109 CO 0.74 0.09 1.27 -2.30 0.00 0.00 0.00 175.76 175.57 1pir n PRO 110 N 1.20 0.00 -2.87 0.00 -0.02 -1.26 -4.83 135.00 127.21 1pir n PRO 110 Ca -0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.16 1pir n PRO 110 Cb 0.47 -1.04 -0.04 0.00 -0.02 0.00 0.00 33.50 32.87 1pir n PRO 110 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1pir s TYR 111 N 2.98 3.45 -0.62 6.00 6.14 -1.26 -2.51 117.35 131.52 1pir s TYR 111 Ca 0.77 1.12 -0.22 0.00 0.64 0.00 0.00 57.07 59.38 1pir s TYR 111 Cb -1.04 -2.49 0.07 0.00 0.42 0.00 0.00 41.96 38.91 1pir s TYR 111 CO 0.52 -0.09 0.91 -0.80 0.64 0.00 0.00 175.55 176.73 1pir s ASN 112 N -2.98 6.21 0.00 4.32 0.02 -1.26 -4.89 114.94 116.36 1pir s ASN 112 Ca 0.52 -0.90 0.15 0.00 -1.02 0.00 0.00 52.86 51.62 1pir s ASN 112 Cb -0.10 -2.40 0.71 0.00 0.02 0.00 0.00 41.25 39.47 1pir s ASN 112 CO 0.29 -1.34 1.48 2.29 0.02 0.00 0.00 177.10 179.85 1pir n LYS 113 N 7.44 1.35 0.11 -0.60 -0.00 -1.26 -4.28 118.16 120.92 1pir n LYS 113 Ca -0.03 -0.53 0.00 0.00 -0.00 0.00 0.00 58.31 57.74 1pir n LYS 113 Cb 0.46 -1.28 0.00 0.00 -0.00 0.00 0.00 35.03 34.21 1pir n LYS 113 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1pir n GLU 114 N -0.20 0.00 0.00 -1.58 0.28 -1.26 -4.46 120.64 113.42 1pir n GLU 114 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 1pir n GLU 114 Cb 0.17 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.04 1pir n GLU 114 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1pir n HIS 115 N -3.02 0.00 0.31 -1.84 8.25 -1.26 -4.64 115.22 113.02 1pir n HIS 115 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 1pir n HIS 115 Cb 0.00 -0.01 0.66 0.00 1.12 0.00 0.00 29.99 31.76 1pir n HIS 115 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1pir h LYS 116 N 0.10 0.00 -2.36 -0.41 3.64 -1.78 -0.66 116.57 115.10 1pir h LYS 116 Ca 0.00 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.96 1pir h LYS 116 Cb 0.06 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 31.52 1pir h LYS 116 CO 0.00 0.00 -0.70 1.21 -2.27 0.00 0.00 179.45 177.69 1pir s ASN 117 N -5.27 2.29 0.74 4.20 2.47 -1.26 -3.33 114.94 114.78 1pir s ASN 117 Ca 0.02 -1.14 -0.11 0.00 0.42 0.00 0.00 52.86 52.05 1pir s ASN 117 Cb 0.09 0.18 0.05 0.00 -1.45 0.00 0.00 41.25 40.12 1pir s ASN 117 CO 0.49 -0.38 1.11 -0.22 -3.72 0.00 0.00 177.10 174.38 1pir s LEU 118 N 2.06 2.74 0.09 3.21 2.96 -1.05 -5.03 118.68 123.65 1pir s LEU 118 Ca 0.11 0.85 -0.12 0.00 -0.22 0.00 0.00 54.13 54.75 1pir s LEU 118 Cb -0.15 -3.50 -0.19 0.00 0.50 0.00 0.00 46.19 42.85 1pir s LEU 118 CO -0.28 -1.61 1.24 0.44 -1.32 0.00 0.00 176.35 174.83 1pir h ASP 119 N -0.79 0.86 -0.03 3.68 3.32 -1.88 -3.50 116.42 118.10 1pir h ASP 119 Ca -0.45 -0.66 -0.09 0.00 0.02 0.00 0.00 57.03 55.85 1pir h ASP 119 Cb 1.30 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 40.61 1pir h ASP 119 CO 0.64 1.46 0.65 1.07 -1.72 0.00 0.00 179.24 181.33 1pir n THR 120 N -3.86 0.00 -0.12 0.35 5.66 -1.26 -4.62 114.28 110.43 1pir n THR 120 Ca -0.09 -0.26 -0.07 0.00 -3.05 0.00 0.00 64.05 60.58 1pir n THR 120 Cb 0.84 -0.97 0.14 0.00 -1.55 0.00 0.00 70.33 68.79 1pir n THR 120 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1pir n LYS 121 N 6.08 2.16 0.00 1.09 -0.00 -1.26 -4.80 118.16 121.43 1pir n LYS 121 Ca 0.21 -1.63 0.00 0.00 -0.00 0.00 0.00 58.31 56.89 1pir n LYS 121 Cb 0.44 -1.73 0.00 0.00 -0.00 0.00 0.00 35.03 33.74 1pir n LYS 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pir n LYS 122 N -0.13 0.00 -0.15 -1.58 4.01 -1.26 -4.97 118.16 114.07 1pir n LYS 122 Ca 0.26 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 58.16 1pir n LYS 122 Cb 1.00 0.00 0.28 0.00 -0.51 0.00 0.00 35.03 35.80 1pir n LYS 122 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1pir n TYR 123 N -2.13 0.40 -1.86 2.13 4.01 -1.26 -5.13 117.16 113.32 1pir n TYR 123 Ca 0.00 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1pir n TYR 123 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1pir n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40