#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pis n LEU 2 N 0.00 0.00 -0.09 0.00 4.32 -1.26 -3.63 117.00 116.34 1pis n LEU 2 Ca 0.00 0.37 0.25 0.00 -0.02 0.00 0.00 56.01 56.61 1pis n LEU 2 Cb 0.00 -0.37 0.72 0.00 -1.62 0.00 0.00 43.42 42.15 1pis n LEU 2 CO 0.00 -0.22 1.23 4.11 -1.22 0.00 0.00 177.39 181.29 1pis h TRP 3 N 0.00 0.00 0.00 -1.77 5.08 -1.95 -1.13 115.95 116.18 1pis h TRP 3 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1pis h TRP 3 Cb 0.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.31 1pis h TRP 3 CO 0.00 0.00 0.00 0.37 -1.28 0.00 0.00 178.44 177.53 1pis h GLN 4 N 0.00 0.00 -0.76 0.12 5.75 -1.87 -2.59 115.11 115.77 1pis h GLN 4 Ca 0.35 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.93 1pis h GLN 4 Cb 1.50 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.99 1pis h GLN 4 CO -0.00 0.00 0.42 0.35 -2.65 0.00 0.00 178.83 176.95 1pis h PHE 5 N 0.00 0.76 0.00 3.99 3.57 -1.45 -1.15 116.94 122.67 1pis h PHE 5 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pis h PHE 5 Cb 0.10 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1pis h PHE 5 CO 0.00 0.32 0.00 0.00 -2.23 0.00 0.00 178.31 176.40 1pis h ARG 6 N 0.72 0.00 0.02 1.11 -0.00 -1.72 -1.32 114.38 113.19 1pis h ARG 6 Ca 0.36 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.84 1pis h ARG 6 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.29 1pis h ARG 6 CO -0.24 0.00 -0.01 1.03 0.00 0.00 0.00 179.97 180.76 1pis h SER 7 N 0.00 -0.02 -0.76 7.04 0.87 -1.61 -3.40 113.55 115.67 1pis h SER 7 Ca 0.00 -0.62 0.17 0.00 -1.23 0.00 0.00 61.79 60.12 1pis h SER 7 Cb 0.22 0.01 -0.14 0.00 -0.44 0.00 0.00 62.40 62.05 1pis h SER 7 CO 0.00 0.62 -0.03 0.24 -0.53 0.00 0.00 176.83 177.13 1pis h MET 8 N -0.67 0.08 0.00 2.24 2.86 -0.06 -3.08 114.93 116.29 1pis h MET 8 Ca -0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1pis h MET 8 Cb 0.63 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1pis h MET 8 CO 0.00 0.05 -0.45 0.82 1.06 0.00 0.00 176.91 178.39 1pis h ILE 9 N 0.08 0.00 0.22 -1.22 2.04 -1.69 -2.86 117.51 114.09 1pis h ILE 9 Ca 0.41 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1pis h ILE 9 Cb 0.71 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1pis h ILE 9 CO -0.70 0.00 -0.11 0.11 0.00 0.00 0.00 178.15 177.46 1pis h LYS 10 N 0.00 -0.29 0.00 2.37 1.79 -1.74 -1.98 116.57 116.72 1pis h LYS 10 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1pis h LYS 10 Cb 0.91 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1pis h LYS 10 CO 0.00 -0.19 0.00 0.00 -1.08 0.00 0.00 179.45 178.18 1pis h ALA 12 N 0.00 0.91 -3.13 0.00 0.00 -1.33 -3.41 119.26 112.30 1pis h ALA 12 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1pis h ALA 12 Cb 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.37 1pis h ALA 12 CO 0.00 0.00 -0.61 0.42 0.00 0.00 0.00 179.25 179.06 1pis s ILE 13 N -3.14 2.67 -0.63 0.00 1.01 -0.76 -4.47 121.20 115.88 1pis s ILE 13 Ca 0.09 -3.91 -0.26 0.00 0.00 0.00 0.00 60.65 56.56 1pis s ILE 13 Cb 0.11 -2.79 -0.11 0.00 0.01 0.00 0.00 42.46 39.68 1pis s ILE 13 CO 0.64 -0.96 2.46 -2.65 0.00 0.00 0.00 174.94 174.43 1pis n PRO 14 N 2.35 0.78 0.00 2.79 -0.02 -1.26 -3.93 135.00 135.71 1pis n PRO 14 Ca 0.16 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1pis n PRO 14 Cb 0.35 -3.10 0.00 0.00 -0.02 0.00 0.00 33.50 30.72 1pis n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pis n GLY 15 N 6.18 2.26 3.77 -1.23 0.00 -1.26 -5.09 105.19 109.83 1pis n GLY 15 Ca 0.44 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1pis n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pis s SER 16 N -4.00 6.53 -0.16 1.61 0.01 -1.25 -5.02 113.70 111.42 1pis s SER 16 Ca 0.00 2.77 -0.28 0.00 1.31 0.00 0.00 55.95 59.75 1pis s SER 16 Cb 0.00 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1pis s SER 16 CO 0.00 -0.71 0.97 -1.00 0.41 0.00 0.00 173.24 172.91 1pis s HIS 17 N -1.17 3.44 0.23 2.43 3.76 -1.26 -4.81 115.29 117.91 1pis s HIS 17 Ca 0.52 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 56.89 1pis s HIS 17 Cb -0.41 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.12 1pis s HIS 17 CO 0.55 -0.30 0.00 -2.30 -0.85 0.00 0.00 174.74 171.83 1pis n PRO 18 N 5.45 1.39 0.00 8.40 -0.02 -1.26 -3.85 135.00 145.11 1pis n PRO 18 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1pis n PRO 18 Cb 0.48 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.49 1pis n PRO 18 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pis n LEU 19 N 0.00 0.00 0.12 2.45 7.99 -1.26 -1.00 117.00 125.30 1pis n LEU 19 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.86 1pis n LEU 19 Cb 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.23 1pis n LEU 19 CO 0.00 0.00 0.74 0.24 -1.51 0.00 0.00 177.39 176.86 1pis h MET 20 N 0.00 -0.25 0.12 3.23 2.86 -2.03 -3.19 114.93 115.67 1pis h MET 20 Ca 0.00 0.02 -0.22 0.00 -2.06 0.00 0.00 59.70 57.44 1pis h MET 20 Cb 0.00 0.06 0.02 0.00 0.06 0.00 0.00 31.60 31.74 1pis h MET 20 CO 0.00 -0.07 -0.92 -0.44 1.06 0.00 0.00 176.91 176.55 1pis h ASP 21 N -0.38 0.61 0.00 1.22 5.19 -1.58 -3.48 116.42 118.00 1pis h ASP 21 Ca -0.03 -0.88 0.00 0.00 -0.62 0.00 0.00 57.03 55.51 1pis h ASP 21 Cb 0.29 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1pis h ASP 21 CO 0.04 1.43 0.00 0.49 -3.12 0.00 0.00 179.24 178.08 1pis n PHE 22 N -4.04 -0.15 0.00 4.55 3.72 -0.17 -4.67 117.46 116.69 1pis n PHE 22 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1pis n PHE 22 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 1pis n PHE 22 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1pis n ASN 23 N 0.00 0.00 -0.08 4.37 5.15 -1.25 -4.12 115.26 119.32 1pis n ASN 23 Ca 0.00 0.00 0.22 0.00 -0.60 0.00 0.00 54.58 54.20 1pis n ASN 23 Cb 0.00 0.00 0.67 0.00 -0.53 0.00 0.00 39.78 39.92 1pis n ASN 23 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1pis h ASN 24 N 0.00 0.06 -4.28 1.20 4.21 -1.85 -3.46 115.58 111.46 1pis h ASN 24 Ca 0.00 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 57.00 1pis h ASN 24 Cb 0.00 -0.01 0.16 0.00 -1.12 0.00 0.00 38.32 37.36 1pis h ASN 24 CO 0.00 0.03 0.28 -0.72 -1.29 0.00 0.00 177.43 175.73 1pis s TYR 25 N -5.06 2.10 0.31 1.19 1.13 -1.18 -4.46 117.35 111.38 1pis s TYR 25 Ca -0.05 1.67 0.00 0.00 -1.41 0.00 0.00 57.07 57.28 1pis s TYR 25 Cb 0.21 -3.21 0.00 0.00 -1.10 0.00 0.00 41.96 37.85 1pis s TYR 25 CO 0.75 -2.31 0.00 0.41 -2.51 0.00 0.00 175.55 171.89 1pis n GLY 26 N -0.44 -2.40 0.10 5.49 0.00 0.06 -4.74 105.19 103.27 1pis n GLY 26 Ca 0.11 -1.24 -0.03 0.00 0.00 0.00 0.00 46.02 44.86 1pis n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pis n TYR 28 N -3.32 0.37 -3.52 0.00 4.11 -1.26 -5.01 117.16 108.52 1pis n TYR 28 Ca 0.01 -3.76 -0.42 0.00 -0.00 0.00 0.00 57.90 53.73 1pis n TYR 28 Cb 0.83 -0.41 -0.06 0.00 -0.00 0.00 0.00 39.34 39.71 1pis n TYR 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pis n GLY 30 N 3.89 1.79 3.22 0.00 0.00 -1.26 -5.09 105.19 107.73 1pis n GLY 30 Ca 0.08 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1pis n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pis s LEU 31 N 0.00 3.39 0.00 0.99 2.01 -1.26 -4.79 118.68 119.02 1pis s LEU 31 Ca 0.00 -0.91 0.00 0.00 0.01 0.00 0.00 54.13 53.23 1pis s LEU 31 Cb 0.00 -1.70 0.00 0.00 0.01 0.00 0.00 46.19 44.50 1pis s LEU 31 CO 0.00 -0.16 0.00 0.61 1.01 0.00 0.00 176.35 177.81 1pis n GLY 32 N 4.69 1.08 2.25 -3.19 0.00 -1.26 -5.01 105.19 103.75 1pis n GLY 32 Ca -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1pis n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pis n GLY 33 N 0.00 1.93 0.00 -0.02 0.00 -1.26 -5.02 105.19 100.82 1pis n GLY 33 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1pis n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pis n SER 34 N 1.57 0.00 0.00 1.61 3.41 -1.26 -4.79 113.62 114.16 1pis n SER 34 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pis n SER 34 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pis n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pis n GLY 35 N 0.00 2.30 0.00 5.00 0.00 -1.26 -4.70 105.19 106.53 1pis n GLY 35 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1pis n GLY 35 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pis n THR 36 N 0.00 0.00 0.00 2.61 5.66 -1.26 -5.12 114.28 116.16 1pis n THR 36 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1pis n THR 36 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1pis n THR 36 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1pis n PRO 37 N 0.00 2.08 0.00 1.09 -0.02 -1.26 -4.65 135.00 132.24 1pis n PRO 37 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1pis n PRO 37 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1pis n PRO 37 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1pis n VAL 38 N 0.00 0.00 -3.62 -1.45 0.24 -1.24 -4.04 118.33 108.21 1pis n VAL 38 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1pis n VAL 38 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 1pis n VAL 38 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1pis s ASP 39 N 1.07 6.27 0.00 -1.34 1.11 -1.26 -5.03 116.67 117.49 1pis s ASP 39 Ca 0.00 0.25 0.01 0.00 0.18 0.00 0.00 52.55 52.99 1pis s ASP 39 Cb 0.00 -1.90 0.04 0.00 1.07 0.00 0.00 42.92 42.13 1pis s ASP 39 CO 0.00 -0.22 0.25 -1.84 1.18 0.00 0.00 175.17 174.54 1pis n GLU 40 N -1.63 0.16 0.01 8.23 0.00 -1.26 -2.55 120.64 123.60 1pis n GLU 40 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.22 1pis n GLU 40 Cb 0.57 -1.07 0.33 0.00 0.00 0.00 0.00 31.44 31.26 1pis n GLU 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1pis n LEU 41 N -0.57 0.41 0.16 -1.84 7.94 -1.26 -1.41 117.00 120.43 1pis n LEU 41 Ca 0.01 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 1pis n LEU 41 Cb 0.00 -0.30 0.24 0.00 0.53 0.00 0.00 43.42 43.89 1pis n LEU 41 CO 0.00 0.07 0.58 -0.78 -1.11 0.00 0.00 177.39 176.15 1pis h ASP 42 N 0.00 0.00 0.36 1.96 1.82 -1.81 -3.34 116.42 115.41 1pis h ASP 42 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1pis h ASP 42 Cb 0.53 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.54 1pis h ASP 42 CO 0.00 0.53 -0.02 -0.09 -1.61 0.00 0.00 179.24 178.05 1pis h ARG 43 N 0.00 0.00 0.00 0.28 1.12 -1.35 -1.82 114.38 112.61 1pis h ARG 43 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1pis h ARG 43 Cb 0.95 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.91 1pis h ARG 43 CO 0.07 0.02 0.00 0.00 -3.11 0.00 0.00 179.97 176.95 1pis n GLU 46 N -4.70 -0.23 -0.01 0.00 0.00 -0.89 -1.26 120.64 113.55 1pis n GLU 46 Ca -0.04 1.53 -0.10 0.00 0.00 0.00 0.00 57.16 58.54 1pis n GLU 46 Cb 0.22 -2.27 -0.08 0.00 0.00 0.00 0.00 31.44 29.31 1pis n GLU 46 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1pis h THR 47 N 0.00 1.08 -0.29 6.31 2.02 -1.74 -3.14 112.91 117.14 1pis h THR 47 Ca 0.34 -1.52 0.08 0.00 0.77 0.00 0.00 66.41 66.09 1pis h THR 47 Cb 0.59 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1pis h THR 47 CO -0.99 0.32 0.21 -0.74 0.37 0.00 0.00 175.52 174.70 1pis h HIS 48 N -0.90 0.00 -0.09 3.16 -0.00 -1.65 -1.77 115.15 113.90 1pis h HIS 48 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 60.13 1pis h HIS 48 Cb 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.02 1pis h HIS 48 CO 0.14 0.00 -0.86 0.38 -0.00 0.00 0.00 177.93 177.59 1pis h ASP 49 N 0.00 0.84 1.22 3.26 3.04 -1.29 -2.18 116.42 121.31 1pis h ASP 49 Ca 0.14 -0.59 -0.08 0.00 -3.24 0.00 0.00 57.03 53.25 1pis h ASP 49 Cb 0.56 -0.25 -0.01 0.00 -1.04 0.00 0.00 39.33 38.59 1pis h ASP 49 CO -0.00 1.39 -0.38 -1.13 -2.04 0.00 0.00 179.24 177.07 1pis h ASN 50 N 0.44 0.00 -0.34 4.15 -1.24 -1.48 -0.27 115.58 116.84 1pis h ASN 50 Ca -0.07 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.87 1pis h ASN 50 Cb 1.49 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.53 1pis h ASN 50 CO 0.17 0.38 -0.06 0.00 -1.29 0.00 0.00 177.43 176.64 1pis h TYR 52 N 0.44 0.49 -0.40 0.00 -1.99 -1.37 -1.86 116.97 112.28 1pis h TYR 52 Ca 0.09 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.86 1pis h TYR 52 Cb 0.55 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 39.08 1pis h TYR 52 CO 0.05 0.30 0.21 0.00 -0.00 0.00 0.00 178.16 178.71 1pis h ARG 53 N 0.52 0.41 0.00 4.88 2.47 -1.05 -2.38 114.38 119.22 1pis h ARG 53 Ca 0.16 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1pis h ARG 53 Cb 0.01 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 1pis h ARG 53 CO -0.04 0.27 0.00 -0.44 0.56 0.00 0.00 179.97 180.32 1pis h ASP 54 N 0.42 0.00 -0.12 7.04 3.32 -1.26 -3.13 116.42 122.70 1pis h ASP 54 Ca 0.17 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.99 1pis h ASP 54 Cb 0.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.62 1pis h ASP 54 CO -0.11 0.00 -0.82 0.00 -1.72 0.00 0.00 179.24 176.60 1pis h ALA 55 N 2.08 0.25 -0.00 3.45 0.00 -1.08 -3.18 119.26 120.78 1pis h ALA 55 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1pis h ALA 55 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1pis h ALA 55 CO 0.00 0.66 0.00 1.57 0.00 0.00 0.00 179.25 181.48 1pis h LYS 56 N 0.47 0.00 0.00 0.00 5.09 -1.42 -2.96 116.57 117.75 1pis h LYS 56 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.67 1pis h LYS 56 Cb 1.45 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.78 1pis h LYS 56 CO 0.17 0.00 0.00 -1.71 -2.09 0.00 0.00 179.45 175.82 1pis n ASN 57 N -4.50 0.00 -4.62 7.07 2.85 -1.19 -4.76 115.26 110.12 1pis n ASN 57 Ca -0.03 -0.21 -0.43 0.00 -0.11 0.00 0.00 54.58 53.80 1pis n ASN 57 Cb 0.09 -0.25 -0.02 0.00 1.24 0.00 0.00 39.78 40.85 1pis n ASN 57 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1pis s LEU 58 N -2.49 3.77 0.40 1.20 2.96 -1.12 -4.96 118.68 118.44 1pis s LEU 58 Ca 0.28 0.81 0.07 0.00 -0.22 0.00 0.00 54.13 55.07 1pis s LEU 58 Cb 0.19 -3.55 0.84 0.00 0.50 0.00 0.00 46.19 44.17 1pis s LEU 58 CO 0.40 -1.12 2.05 -0.78 -1.32 0.00 0.00 176.35 175.59 1pis h ASP 59 N 8.99 0.50 0.29 3.68 3.58 -1.92 -3.14 116.42 128.40 1pis h ASP 59 Ca -0.23 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 1pis h ASP 59 Cb 1.07 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1pis h ASP 59 CO 1.08 0.36 -0.24 0.77 -2.88 0.00 0.00 179.24 178.33 1pis h SER 60 N 0.59 -0.64 -3.62 2.28 4.64 -1.96 -3.36 113.55 111.48 1pis h SER 60 Ca 0.17 0.05 -0.68 0.00 -0.47 0.00 0.00 61.79 60.86 1pis h SER 60 Cb -0.05 0.20 -0.37 0.00 -0.31 0.00 0.00 62.40 61.87 1pis h SER 60 CO -0.04 -0.34 -0.66 0.00 -0.87 0.00 0.00 176.83 174.93 1pis s LYS 62 N 1.02 4.02 0.00 0.00 2.47 -1.19 -4.80 119.74 121.26 1pis s LYS 62 Ca 0.08 0.52 0.00 0.00 -1.56 0.00 0.00 55.97 55.01 1pis s LYS 62 Cb -0.21 -3.23 0.00 0.00 -1.46 0.00 0.00 37.83 32.94 1pis s LYS 62 CO -0.06 0.67 1.50 1.19 0.16 0.00 0.00 175.35 178.81 1pis n PHE 63 N 1.81 0.00 0.36 4.03 3.01 -1.26 -1.54 117.46 123.87 1pis n PHE 63 Ca -0.13 -0.75 0.13 0.00 1.01 0.00 0.00 57.45 57.72 1pis n PHE 63 Cb 0.52 -0.39 0.55 0.00 -0.01 0.00 0.00 39.48 40.15 1pis n PHE 63 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1pis h LEU 64 N 2.39 0.00 0.13 4.37 4.07 -1.98 -3.38 115.31 120.91 1pis h LEU 64 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1pis h LEU 64 Cb 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1pis h LEU 64 CO 0.00 0.00 -0.06 -0.37 -1.08 0.00 0.00 178.44 176.93 1pis h VAL 65 N 0.00 1.02 -5.38 1.22 -1.51 -1.61 -3.49 116.25 106.50 1pis h VAL 65 Ca 0.00 -0.67 -0.28 0.00 -1.23 0.00 0.00 66.70 64.52 1pis h VAL 65 Cb 0.39 1.43 0.17 0.00 -2.13 0.00 0.00 31.29 31.16 1pis h VAL 65 CO 0.00 0.16 -0.75 0.47 -1.23 0.00 0.00 177.57 176.21 1pis n ASP 66 N -5.02 -3.64 -3.44 4.19 8.00 -1.26 -5.03 116.55 110.35 1pis n ASP 66 Ca -0.09 -0.61 -0.27 0.00 0.71 0.00 0.00 54.79 54.53 1pis n ASP 66 Cb 0.21 -4.88 -0.10 0.00 -0.02 0.00 0.00 41.12 36.33 1pis n ASP 66 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1pis s ASN 67 N -3.94 1.77 0.00 -2.24 0.01 -1.26 -5.09 114.94 104.18 1pis s ASN 67 Ca 0.16 -3.10 0.00 0.00 -0.71 0.00 0.00 52.86 49.21 1pis s ASN 67 Cb -0.02 -0.54 0.00 0.00 0.41 0.00 0.00 41.25 41.10 1pis s ASN 67 CO 0.69 -0.17 0.00 -0.81 -1.51 0.00 0.00 177.10 175.30 1pis n PRO 68 N 2.81 0.00 -0.09 -0.60 -0.04 -1.26 -4.43 135.00 131.40 1pis n PRO 68 Ca 0.28 0.24 0.10 0.00 -0.04 0.00 0.00 63.50 64.08 1pis n PRO 68 Cb 0.46 -0.72 0.14 0.00 -0.04 0.00 0.00 33.50 33.34 1pis n PRO 68 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pis n TYR 69 N -1.32 0.23 0.10 0.54 4.01 -1.26 -4.79 117.16 114.67 1pis n TYR 69 Ca 0.00 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1pis n TYR 69 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1pis n TYR 69 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1pis n THR 70 N 1.19 0.00 0.17 -0.72 5.66 -1.24 -4.39 114.28 114.95 1pis n THR 70 Ca 0.14 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.16 1pis n THR 70 Cb 0.52 -0.25 0.30 0.00 -1.55 0.00 0.00 70.33 69.35 1pis n THR 70 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1pis h GLU 71 N 0.00 0.00 -0.16 1.09 5.08 -1.87 -3.16 114.58 115.56 1pis h GLU 71 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1pis h GLU 71 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1pis h GLU 71 CO 0.00 0.45 -0.77 1.03 -1.00 0.00 0.00 179.01 178.72 1pis h SER 72 N 0.00 0.96 -2.93 1.42 0.87 -1.87 -3.49 113.55 108.51 1pis h SER 72 Ca -0.00 -0.62 -0.49 0.00 -1.23 0.00 0.00 61.79 59.44 1pis h SER 72 Cb 0.81 -0.28 -0.14 0.00 -0.44 0.00 0.00 62.40 62.35 1pis h SER 72 CO 0.06 1.42 -0.72 -0.72 -0.53 0.00 0.00 176.83 176.34 1pis s TYR 73 N -3.77 1.89 0.00 2.24 1.13 -1.19 -4.97 117.35 112.68 1pis s TYR 73 Ca -0.10 -0.56 0.00 0.00 -1.41 0.00 0.00 57.07 54.99 1pis s TYR 73 Cb 0.09 -0.93 0.00 0.00 -1.10 0.00 0.00 41.96 40.02 1pis s TYR 73 CO 0.91 0.40 0.00 0.45 -2.51 0.00 0.00 175.55 174.80 1pis n SER 74 N -0.49 0.57 0.00 -0.18 2.88 -1.26 -4.80 113.62 110.34 1pis n SER 74 Ca -0.07 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.79 1pis n SER 74 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1pis n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pis n TYR 75 N 0.00 0.00 -3.63 0.66 4.11 -1.26 -1.87 117.16 115.17 1pis n TYR 75 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.86 1pis n TYR 75 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.28 1pis n TYR 75 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1pis s SER 76 N 1.01 -0.75 0.38 9.48 0.01 -1.25 -4.34 113.70 118.24 1pis s SER 76 Ca 0.00 1.18 0.05 0.00 1.31 0.00 0.00 55.95 58.49 1pis s SER 76 Cb 0.00 1.38 -0.07 0.00 0.21 0.00 0.00 66.02 67.54 1pis s SER 76 CO 0.00 -0.18 0.03 0.00 0.41 0.00 0.00 173.24 173.50 1pis n SER 78 N -0.88 0.00 0.00 0.00 2.88 -1.21 -4.86 113.62 109.55 1pis n SER 78 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1pis n SER 78 Cb 0.67 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1pis n SER 78 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1pis n ASN 79 N 0.00 0.00 -0.13 -3.46 2.85 -1.26 -4.80 115.26 108.45 1pis n ASN 79 Ca 0.00 0.25 -0.27 0.00 -0.11 0.00 0.00 54.58 54.46 1pis n ASN 79 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 1pis n ASN 79 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1pis n THR 80 N -0.39 1.53 -3.52 -0.44 -2.24 -1.26 -4.75 114.28 103.20 1pis n THR 80 Ca 0.00 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 1pis n THR 80 Cb 0.00 -1.80 -0.01 0.00 -2.10 0.00 0.00 70.33 66.42 1pis n THR 80 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1pis n GLU 81 N -4.04 -0.88 -3.32 -0.78 4.07 -1.26 -4.18 120.64 110.25 1pis n GLU 81 Ca -0.50 -0.21 -0.38 0.00 -0.06 0.00 0.00 57.16 56.00 1pis n GLU 81 Cb 0.90 -0.44 -0.06 0.00 -0.06 0.00 0.00 31.44 31.78 1pis n GLU 81 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1pis s ILE 82 N -4.12 4.91 0.00 6.31 -1.09 -1.24 -3.35 121.20 122.62 1pis s ILE 82 Ca 0.09 1.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 1pis s ILE 82 Cb -0.05 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1pis s ILE 82 CO 0.29 0.50 0.00 1.07 -1.23 0.00 0.00 174.94 175.57 1pis n THR 83 N 2.23 0.00 -3.89 2.92 5.66 -0.78 -4.88 114.28 115.55 1pis n THR 83 Ca -0.10 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.82 1pis n THR 83 Cb 0.51 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.27 1pis n THR 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pis s ASN 85 N -2.99 6.49 0.53 0.00 3.84 -0.78 -3.81 114.94 118.22 1pis s ASN 85 Ca 0.15 2.62 0.31 0.00 0.21 0.00 0.00 52.86 56.16 1pis s ASN 85 Cb -0.04 -2.55 1.26 0.00 -0.55 0.00 0.00 41.25 39.37 1pis s ASN 85 CO 0.09 -0.99 1.95 -1.28 -2.79 0.00 0.00 177.10 174.08 1pis h SER 86 N 9.23 0.00 0.00 -4.21 0.87 -1.93 0.25 113.55 117.77 1pis h SER 86 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1pis h SER 86 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1pis h SER 86 CO 0.94 0.05 0.54 0.07 -0.53 0.00 0.00 176.83 177.91 1pis h LYS 87 N 0.00 0.00 0.00 2.24 2.10 -2.03 -3.48 116.57 115.39 1pis h LYS 87 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pis h LYS 87 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1pis h LYS 87 CO 0.01 0.00 0.00 -1.71 -2.00 0.00 0.00 179.45 175.75 1pis n ASN 88 N -2.32 0.00 -0.58 7.07 5.15 0.86 -5.03 115.26 120.42 1pis n ASN 88 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1pis n ASN 88 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1pis n ASN 88 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1pis n ASN 89 N 0.01 0.00 -0.04 1.20 2.85 -1.26 -4.87 115.26 113.15 1pis n ASN 89 Ca 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 1pis n ASN 89 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 1pis n ASN 89 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pis n ALA 90 N -3.00 0.34 0.05 5.20 0.00 -1.26 -4.34 120.51 117.51 1pis n ALA 90 Ca 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 1pis n ALA 90 Cb 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.32 1pis n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pis h GLU 92 N 0.05 -0.02 -0.67 0.00 5.08 -1.93 -2.96 114.58 114.12 1pis h GLU 92 Ca -0.19 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.31 1pis h GLU 92 Cb 1.96 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.18 1pis h GLU 92 CO 0.15 -0.01 0.46 0.00 -1.00 0.00 0.00 179.01 178.60 1pis h ALA 93 N 1.19 2.21 0.29 3.43 0.00 -1.76 -2.40 119.26 122.23 1pis h ALA 93 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1pis h ALA 93 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pis h ALA 93 CO -0.24 -0.39 -0.14 0.35 0.00 0.00 0.00 179.25 178.83 1pis h PHE 94 N 0.30 -0.36 -0.14 0.00 3.04 -1.33 -2.59 116.94 115.86 1pis h PHE 94 Ca 0.33 -0.01 -0.12 0.00 3.98 0.00 0.00 57.97 62.15 1pis h PHE 94 Cb 0.85 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.47 1pis h PHE 94 CO -0.00 -0.14 -0.45 0.82 -2.02 0.00 0.00 178.31 176.52 1pis h ILE 95 N -1.06 1.32 0.00 1.41 5.03 -1.61 -2.28 117.51 120.32 1pis h ILE 95 Ca -0.04 -1.62 0.00 0.00 -0.12 0.00 0.00 64.86 63.08 1pis h ILE 95 Cb 0.39 1.71 0.00 0.00 -3.03 0.00 0.00 36.82 35.89 1pis h ILE 95 CO 0.07 0.49 0.00 0.00 -0.68 0.00 0.00 178.15 178.03 1pis h ASN 97 N 0.00 0.74 0.69 0.00 -1.24 -1.00 -1.02 115.58 113.76 1pis h ASN 97 Ca 0.00 -0.82 -0.03 0.00 0.71 0.00 0.00 56.30 56.16 1pis h ASN 97 Cb 0.26 -0.24 0.01 0.00 0.73 0.00 0.00 38.32 39.08 1pis h ASN 97 CO 0.00 1.65 -0.33 0.00 -1.29 0.00 0.00 177.43 177.45 1pis h ASP 99 N -1.02 0.00 0.25 0.00 3.58 -1.54 -2.28 116.42 115.42 1pis h ASP 99 Ca -0.09 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 1pis h ASP 99 Cb 0.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1pis h ASP 99 CO 0.16 0.00 -0.12 0.08 -2.88 0.00 0.00 179.24 176.48 1pis h ARG 100 N 0.00 -0.32 -0.05 0.28 0.11 -1.19 -3.10 114.38 110.11 1pis h ARG 100 Ca 0.00 0.02 0.03 0.00 0.10 0.00 0.00 59.98 60.13 1pis h ARG 100 Cb 0.17 0.07 -0.03 0.00 1.11 0.00 0.00 29.97 31.29 1pis h ARG 100 CO 0.00 0.04 -0.12 -0.97 0.10 0.00 0.00 179.97 179.02 1pis h ASN 101 N -0.88 -0.35 -0.14 0.08 -0.73 -1.25 -0.67 115.58 111.64 1pis h ASN 101 Ca -0.03 0.06 0.01 0.00 1.87 0.00 0.00 56.30 58.21 1pis h ASN 101 Cb 0.51 0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.24 1pis h ASN 101 CO 0.06 -0.16 -0.08 0.00 -0.37 0.00 0.00 177.43 176.87 1pis n ALA 102 N -2.43 -0.09 0.26 1.57 0.00 -0.89 0.15 120.51 119.09 1pis n ALA 102 Ca -0.05 0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1pis n ALA 102 Cb 0.17 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 1pis n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pis h ALA 103 N 0.02 -1.12 -0.46 0.00 0.00 -1.08 -2.97 119.26 113.64 1pis h ALA 103 Ca 0.02 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1pis h ALA 103 Cb 0.06 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1pis h ALA 103 CO -0.13 -1.10 -0.02 0.82 0.00 0.00 0.00 179.25 178.82 1pis h ILE 104 N -0.76 0.62 0.00 0.00 2.04 -1.07 -3.25 117.51 115.10 1pis h ILE 104 Ca -0.06 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 1pis h ILE 104 Cb 0.61 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1pis h ILE 104 CO 0.05 0.02 -0.26 0.00 0.00 0.00 0.00 178.15 177.96 1pis h PHE 106 N 0.00 0.00 0.00 0.00 0.04 -1.55 -0.14 116.94 115.29 1pis h PHE 106 Ca -0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.50 1pis h PHE 106 Cb 0.60 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.71 1pis h PHE 106 CO 0.00 0.00 -1.78 0.45 -0.60 0.00 0.00 178.31 176.38 1pis n SER 107 N -2.89 0.67 0.15 2.17 2.88 -0.72 -4.62 113.62 111.26 1pis n SER 107 Ca -0.01 0.31 -0.12 0.00 -1.33 0.00 0.00 58.87 57.72 1pis n SER 107 Cb 0.15 0.27 -0.07 0.00 -0.75 0.00 0.00 64.21 63.80 1pis n SER 107 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1pis h LYS 108 N 0.00 -0.42 -7.33 -1.46 1.57 -0.73 -3.47 116.57 104.73 1pis h LYS 108 Ca -0.30 0.03 -0.49 0.00 -1.87 0.00 0.00 60.65 58.02 1pis h LYS 108 Cb 1.92 0.10 0.15 0.00 0.08 0.00 0.00 32.23 34.47 1pis h LYS 108 CO 0.06 -0.09 0.26 0.00 -0.57 0.00 0.00 179.45 179.11 1pis s ALA 109 N -4.40 1.63 0.00 3.86 0.00 -0.11 -5.07 121.76 117.68 1pis s ALA 109 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1pis s ALA 109 Cb 0.01 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1pis s ALA 109 CO 0.47 -2.29 0.00 -2.30 0.00 0.00 0.00 175.76 171.64 1pis n PRO 110 N -3.84 1.88 -3.74 0.00 -0.02 -1.26 -4.91 135.00 123.11 1pis n PRO 110 Ca 0.07 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.42 1pis n PRO 110 Cb 0.55 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.94 1pis n PRO 110 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1pis s TYR 111 N 0.00 -0.27 -0.68 6.00 6.14 -1.26 -4.60 117.35 122.68 1pis s TYR 111 Ca 0.00 0.50 -0.21 0.00 0.64 0.00 0.00 57.07 57.99 1pis s TYR 111 Cb 0.00 0.13 0.08 0.00 0.42 0.00 0.00 41.96 42.59 1pis s TYR 111 CO 0.00 -0.37 0.94 -0.80 0.64 0.00 0.00 175.55 175.96 1pis s ASN 112 N -0.98 6.23 -0.14 4.32 0.02 -1.26 -4.87 114.94 118.26 1pis s ASN 112 Ca -0.10 -1.20 0.07 0.00 -1.02 0.00 0.00 52.86 50.61 1pis s ASN 112 Cb -0.04 -2.40 0.45 0.00 0.02 0.00 0.00 41.25 39.28 1pis s ASN 112 CO 0.04 -1.34 1.20 1.17 0.02 0.00 0.00 177.10 178.19 1pis n LYS 113 N 7.33 3.09 0.01 -0.60 3.00 -1.26 -4.18 118.16 125.54 1pis n LYS 113 Ca -0.01 -1.73 0.00 0.00 -0.00 0.00 0.00 58.31 56.56 1pis n LYS 113 Cb 0.45 -1.91 0.00 0.00 0.00 0.00 0.00 35.03 33.57 1pis n LYS 113 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1pis n GLU 114 N 0.31 0.00 0.00 1.64 0.28 -1.26 -4.72 120.64 116.89 1pis n GLU 114 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1pis n GLU 114 Cb 0.79 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.66 1pis n GLU 114 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1pis n HIS 115 N -2.24 0.00 0.27 -1.84 8.25 -1.26 -4.66 115.22 113.73 1pis n HIS 115 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1pis n HIS 115 Cb 0.00 -0.03 0.72 0.00 1.12 0.00 0.00 29.99 31.80 1pis n HIS 115 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1pis h LYS 116 N 0.05 0.00 -2.39 -0.41 3.64 -1.85 0.27 116.57 115.88 1pis h LYS 116 Ca 0.00 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.91 1pis h LYS 116 Cb 0.13 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 31.59 1pis h LYS 116 CO 0.00 0.10 -0.75 1.21 -2.27 0.00 0.00 179.45 177.74 1pis s ASN 117 N -5.94 2.40 0.77 4.20 2.47 -1.26 -3.09 114.94 114.49 1pis s ASN 117 Ca -0.01 -1.53 -0.12 0.00 0.42 0.00 0.00 52.86 51.61 1pis s ASN 117 Cb 0.12 0.03 0.05 0.00 -1.45 0.00 0.00 41.25 40.00 1pis s ASN 117 CO 0.57 -0.34 1.13 -0.22 -3.72 0.00 0.00 177.10 174.51 1pis s LEU 118 N 1.67 2.65 0.09 3.21 2.96 -1.08 -5.04 118.68 123.14 1pis s LEU 118 Ca 0.14 1.00 -0.09 0.00 -0.22 0.00 0.00 54.13 54.96 1pis s LEU 118 Cb -0.18 -3.63 -0.22 0.00 0.50 0.00 0.00 46.19 42.67 1pis s LEU 118 CO -0.16 -1.70 1.18 0.44 -1.32 0.00 0.00 176.35 174.79 1pis h ASP 119 N -0.91 0.65 -0.00 3.68 3.32 -1.87 -3.50 116.42 117.79 1pis h ASP 119 Ca -0.46 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 55.98 1pis h ASP 119 Cb 1.29 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1pis h ASP 119 CO 0.64 1.42 0.54 1.07 -1.72 0.00 0.00 179.24 181.18 1pis n THR 120 N -3.71 0.00 -0.54 0.35 5.66 -1.26 -4.60 114.28 110.18 1pis n THR 120 Ca -0.10 -0.49 -0.10 0.00 -3.05 0.00 0.00 64.05 60.31 1pis n THR 120 Cb 0.94 -0.05 0.18 0.00 -1.55 0.00 0.00 70.33 69.86 1pis n THR 120 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1pis n LYS 121 N 3.64 2.51 0.01 1.09 -0.00 -1.26 -4.79 118.16 119.36 1pis n LYS 121 Ca 0.01 -2.21 0.00 0.00 -0.00 0.00 0.00 58.31 56.11 1pis n LYS 121 Cb 0.26 -1.92 0.00 0.00 -0.00 0.00 0.00 35.03 33.37 1pis n LYS 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pis n LYS 122 N -0.34 0.00 -0.23 -1.58 4.01 -1.26 -4.97 118.16 113.79 1pis n LYS 122 Ca 0.36 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 58.27 1pis n LYS 122 Cb 1.23 -0.01 0.27 0.00 -0.51 0.00 0.00 35.03 36.00 1pis n LYS 122 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1pis n TYR 123 N -2.60 0.61 -1.88 2.13 4.01 -1.26 -5.14 117.16 113.03 1pis n TYR 123 Ca 0.00 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 1pis n TYR 123 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1pis n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40