#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 0.27 0.00 0.00 4.32 -1.26 -4.98 117.00 115.35 1pis n LEU 2 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 1pis n LEU 2 Cb 0.00 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1pis n LEU 2 CO 0.00 -0.26 0.00 -2.67 -1.22 0.00 0.00 177.39 173.24 1pis n TRP 3 N 2.50 -0.32 0.31 -1.77 4.27 -1.26 -4.92 117.44 116.25 1pis n TRP 3 Ca 0.18 0.00 0.20 0.00 -3.89 0.00 0.00 57.50 54.00 1pis n TRP 3 Cb -0.01 0.12 1.01 0.00 -1.36 0.00 0.00 31.31 31.06 1pis n TRP 3 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 1pis h GLN 4 N 0.00 0.00 -0.65 -2.67 5.75 -1.93 -2.29 115.11 113.32 1pis h GLN 4 Ca 0.00 0.00 0.13 0.00 -0.15 0.00 0.00 58.65 58.63 1pis h GLN 4 Cb 0.00 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 28.43 1pis h GLN 4 CO 0.00 0.00 -0.19 0.35 -2.65 0.00 0.00 178.83 176.34 1pis h PHE 5 N 0.00 -0.42 -0.57 3.99 3.57 -1.94 -1.42 116.94 120.15 1pis h PHE 5 Ca 0.00 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1pis h PHE 5 Cb 0.14 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 1pis h PHE 5 CO 0.00 -0.30 0.24 0.00 -2.23 0.00 0.00 178.31 176.02 1pis h ARG 6 N -0.02 0.43 -0.65 1.11 -0.00 -1.76 -1.35 114.38 112.14 1pis h ARG 6 Ca 0.31 -0.03 0.13 0.00 -0.50 0.00 0.00 59.98 59.89 1pis h ARG 6 Cb 0.49 -0.10 -0.12 0.00 0.00 0.00 0.00 29.97 30.24 1pis h ARG 6 CO -0.68 0.29 -0.21 1.03 0.00 0.00 0.00 179.97 180.39 1pis h SER 7 N 0.44 -0.77 -0.77 7.04 0.87 -1.65 -2.97 113.55 115.75 1pis h SER 7 Ca 0.27 0.21 0.18 0.00 -1.23 0.00 0.00 61.79 61.22 1pis h SER 7 Cb 0.28 0.46 -0.12 0.00 -0.44 0.00 0.00 62.40 62.58 1pis h SER 7 CO -0.25 -0.25 0.16 0.24 -0.53 0.00 0.00 176.83 176.21 1pis h MET 8 N -0.05 0.23 -0.53 2.24 2.86 -0.11 -2.89 114.93 116.67 1pis h MET 8 Ca 0.30 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1pis h MET 8 Cb 0.51 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1pis h MET 8 CO -0.69 0.15 0.00 0.44 1.06 0.00 0.00 176.91 177.87 1pis n ILE 9 N -5.20 0.89 -0.03 -1.22 -5.35 -1.08 -2.16 119.36 105.22 1pis n ILE 9 Ca 0.15 -0.67 -0.02 0.00 -0.27 0.00 0.00 62.75 61.94 1pis n ILE 9 Cb 0.50 0.12 -0.01 0.00 -1.74 0.00 0.00 39.64 38.52 1pis n ILE 9 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1pis n LYS 10 N 0.70 0.19 0.00 6.28 4.76 -1.09 -2.95 118.16 126.05 1pis n LYS 10 Ca 0.16 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 1pis n LYS 10 Cb 0.50 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 1pis n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pis n ALA 12 N -0.54 3.01 -3.67 0.00 0.00 -0.92 -4.60 120.51 113.78 1pis n ALA 12 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 53.44 52.73 1pis n ALA 12 Cb 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 1pis n ALA 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1pis n ILE 13 N -0.51 2.30 -1.68 0.00 2.08 -0.95 -4.49 119.36 116.11 1pis n ILE 13 Ca 0.13 -5.08 -0.38 0.00 0.56 0.00 0.00 62.75 57.98 1pis n ILE 13 Cb 0.35 -2.19 -0.03 0.00 -0.75 0.00 0.00 39.64 37.02 1pis n ILE 13 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 1pis s PRO 14 N -1.83 2.48 0.00 0.38 0.02 -1.26 -4.11 135.00 130.68 1pis s PRO 14 Ca 0.30 1.40 0.00 0.00 0.02 0.00 0.00 61.00 62.72 1pis s PRO 14 Cb 0.01 -4.48 0.00 0.00 0.02 0.00 0.00 34.50 30.05 1pis s PRO 14 CO -0.10 -2.85 0.00 0.41 -0.33 0.00 0.00 177.00 174.13 1pis n GLY 15 N 5.86 2.22 3.63 0.52 0.00 -1.26 -5.08 105.19 111.09 1pis n GLY 15 Ca 0.32 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.64 2.48 -0.23 1.61 0.01 -1.26 -5.05 113.70 107.63 1pis s SER 16 Ca 0.00 2.08 -0.02 0.00 1.31 0.00 0.00 55.95 59.32 1pis s SER 16 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.72 1pis s SER 16 CO 0.00 -3.36 -0.08 -1.00 0.41 0.00 0.00 173.24 169.21 1pis s HIS 17 N -2.60 2.98 0.21 2.43 3.76 -1.26 -4.84 115.29 115.96 1pis s HIS 17 Ca 0.67 -1.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 1pis s HIS 17 Cb -0.23 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.40 1pis s HIS 17 CO 0.59 -0.68 0.00 -2.30 -0.85 0.00 0.00 174.74 171.50 1pis n PRO 18 N 4.71 1.09 0.00 8.40 -0.02 -1.26 -3.56 135.00 144.35 1pis n PRO 18 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1pis n PRO 18 Cb 0.49 -0.41 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 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 0.11 2.45 7.99 -1.26 -0.86 117.00 125.43 1pis n LEU 19 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.87 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 0.81 0.24 -1.51 0.00 0.00 177.39 176.93 1pis h MET 20 N 0.00 -0.18 0.00 3.23 2.86 -2.01 -2.18 114.93 116.66 1pis h MET 20 Ca 0.00 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 1pis h MET 20 Cb 0.00 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1pis h MET 20 CO 0.00 -0.10 -0.76 -0.44 1.06 0.00 0.00 176.91 176.67 1pis h ASP 21 N -0.21 0.00 -0.66 1.22 3.32 -1.48 -3.44 116.42 115.17 1pis h ASP 21 Ca -0.02 -0.70 -0.01 0.00 0.02 0.00 0.00 57.03 56.32 1pis h ASP 21 Cb 0.17 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1pis h ASP 21 CO 0.03 1.30 0.37 -0.26 -1.72 0.00 0.00 179.24 178.96 1pis h PHE 22 N -1.00 0.90 -0.71 4.55 0.04 -1.05 -3.31 116.94 116.36 1pis h PHE 22 Ca -0.21 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.53 1pis h PHE 22 Cb 1.19 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 39.01 1pis h PHE 22 CO 0.17 0.63 0.39 -0.97 -0.60 0.00 0.00 178.31 177.93 1pis h ASN 23 N 0.91 0.88 -0.09 2.17 -1.24 -1.63 -3.13 115.58 113.45 1pis h ASN 23 Ca 0.23 -0.07 -0.08 0.00 0.71 0.00 0.00 56.30 57.09 1pis h ASN 23 Cb 0.02 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 1pis h ASN 23 CO -0.04 0.71 -0.18 0.78 -1.29 0.00 0.00 177.43 177.42 1pis h ASN 24 N 0.99 0.46 -3.78 1.15 2.35 -1.76 -3.48 115.58 111.51 1pis h ASN 24 Ca 0.25 -0.13 -0.45 0.00 -0.55 0.00 0.00 56.30 55.42 1pis h ASN 24 Cb 0.03 -0.12 0.17 0.00 0.05 0.00 0.00 38.32 38.44 1pis h ASN 24 CO -0.04 0.66 0.17 -0.72 -1.65 0.00 0.00 177.43 175.84 1pis s TYR 25 N -4.64 1.96 0.40 1.19 -0.85 -1.17 -4.25 117.35 109.99 1pis s TYR 25 Ca -0.07 0.96 0.00 0.00 -0.52 0.00 0.00 57.07 57.44 1pis s TYR 25 Cb 0.14 -3.26 0.00 0.00 0.38 0.00 0.00 41.96 39.22 1pis s TYR 25 CO 0.78 -3.08 0.00 0.41 -1.52 0.00 0.00 175.55 172.14 1pis n GLY 26 N -0.90 -2.13 0.10 5.49 0.00 -0.30 -4.84 105.19 102.62 1pis n GLY 26 Ca 0.05 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.48 1.55 -3.97 0.00 4.11 -1.26 -5.00 117.16 109.10 1pis n TYR 28 Ca -0.11 -3.84 -0.31 0.00 -0.00 0.00 0.00 57.90 53.64 1pis n TYR 28 Cb 1.03 -0.45 -0.14 0.00 -0.00 0.00 0.00 39.34 39.78 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 3.81 3.76 3.63 0.00 0.00 -1.26 -5.12 105.19 110.02 1pis n GLY 30 Ca 0.04 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 3.94 0.00 0.99 1.43 -1.26 -3.75 118.68 120.03 1pis s LEU 31 Ca 0.00 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 1pis s LEU 31 Cb 0.00 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1pis s LEU 31 CO 0.00 -1.46 0.00 0.61 0.23 0.00 0.00 176.35 175.73 1pis n GLY 32 N 5.06 1.26 2.36 -3.19 0.00 -1.26 -5.04 105.19 104.37 1pis n GLY 32 Ca 0.24 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.45 3.57 -0.02 0.00 -1.25 -4.94 105.19 103.00 1pis n GLY 33 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pis n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pis s SER 34 N -2.12 5.60 0.00 1.61 1.04 -1.26 -4.68 113.70 113.89 1pis s SER 34 Ca 0.00 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1pis s SER 34 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1pis s SER 34 CO 0.00 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.43 1pis n GLY 35 N 6.28 0.15 0.00 7.32 0.00 -1.26 -5.16 105.19 112.52 1pis n GLY 35 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -5.15 114.28 116.14 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 1.82 0.00 1.09 -0.02 -1.26 -4.66 135.00 131.97 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 -0.08 0.00 -3.74 -1.45 0.24 -1.24 -4.39 118.33 107.67 1pis n VAL 38 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.10 1pis n VAL 38 Cb 0.00 -0.61 -0.01 0.00 -1.47 0.00 0.00 33.84 31.75 1pis n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1pis s ASP 39 N 0.49 6.09 0.00 -1.34 2.15 -1.26 -5.05 116.67 117.75 1pis s ASP 39 Ca 0.00 -0.08 0.01 0.00 0.43 0.00 0.00 52.55 52.91 1pis s ASP 39 Cb 0.00 -1.52 0.04 0.00 -0.30 0.00 0.00 42.92 41.14 1pis s ASP 39 CO 0.00 -0.25 0.40 -1.84 -0.17 0.00 0.00 175.17 173.31 1pis n GLU 40 N -1.51 0.03 0.16 4.34 0.00 -1.26 -2.56 120.64 119.85 1pis n GLU 40 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.24 1pis n GLU 40 Cb 0.58 -1.35 0.22 0.00 0.00 0.00 0.00 31.44 30.88 1pis n GLU 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1pis h LEU 41 N 0.00 0.00 -1.29 -1.84 5.85 -1.82 -0.50 115.31 115.71 1pis h LEU 41 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1pis h LEU 41 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1pis h LEU 41 CO 0.00 0.01 -0.09 -0.78 -0.34 0.00 0.00 178.44 177.24 1pis h ASP 42 N 0.00 0.00 0.65 1.25 1.82 -1.83 -3.25 116.42 115.07 1pis h ASP 42 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1pis h ASP 42 Cb 0.91 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.92 1pis h ASP 42 CO 0.00 0.09 -0.09 -0.09 -1.61 0.00 0.00 179.24 177.54 1pis h ARG 43 N 0.00 0.00 0.00 0.28 1.12 -1.26 -1.43 114.38 113.10 1pis h ARG 43 Ca -0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.73 1pis h ARG 43 Cb 0.61 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.55 1pis h ARG 43 CO 0.01 0.09 -0.66 0.00 -3.11 0.00 0.00 179.97 176.29 1pis h GLU 46 N 0.93 0.05 0.22 0.00 4.57 -1.22 -0.14 114.58 118.99 1pis h GLU 46 Ca 0.28 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1pis h GLU 46 Cb -0.05 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1pis h GLU 46 CO -0.08 0.03 -0.11 1.15 -1.18 0.00 0.00 179.01 178.82 1pis h THR 47 N 0.05 0.78 0.00 0.32 2.02 -1.62 -2.92 112.91 111.54 1pis h THR 47 Ca 0.32 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1pis h THR 47 Cb 0.51 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1pis h THR 47 CO -0.61 0.17 0.00 1.57 0.37 0.00 0.00 175.52 177.02 1pis n HIS 48 N -5.01 0.00 -0.10 3.16 -0.00 -1.16 -1.22 115.22 110.89 1pis n HIS 48 Ca -0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.47 1pis n HIS 48 Cb 0.26 -0.03 -0.07 0.00 -0.00 0.00 0.00 29.99 30.16 1pis n HIS 48 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1pis n ASP 49 N -0.28 1.88 0.11 0.26 8.00 -0.07 -4.19 116.55 122.25 1pis n ASP 49 Ca 0.00 0.45 -0.03 0.00 0.71 0.00 0.00 54.79 55.93 1pis n ASP 49 Cb 0.06 -0.88 0.19 0.00 -0.02 0.00 0.00 41.12 40.47 1pis n ASP 49 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1pis h ASN 50 N -1.00 0.18 0.19 -2.24 -1.24 -1.28 0.11 115.58 110.30 1pis h ASN 50 Ca -0.27 -0.09 -0.13 0.00 0.71 0.00 0.00 56.30 56.52 1pis h ASN 50 Cb 1.09 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.08 1pis h ASN 50 CO -0.16 0.67 -0.49 0.00 -1.29 0.00 0.00 177.43 176.16 1pis h TYR 52 N 0.28 0.00 0.14 0.00 -1.99 -1.70 -2.47 116.97 111.23 1pis h TYR 52 Ca 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1pis h TYR 52 Cb 0.97 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.70 1pis h TYR 52 CO 0.03 0.34 -0.07 0.00 -0.00 0.00 0.00 178.16 178.46 1pis h ARG 53 N 0.00 -0.18 0.00 4.88 2.47 -0.72 -2.16 114.38 118.67 1pis h ARG 53 Ca -0.00 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1pis h ARG 53 Cb 0.63 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1pis h ARG 53 CO 0.04 -0.04 -0.12 -0.44 0.56 0.00 0.00 179.97 179.97 1pis h ASP 54 N -0.27 0.00 0.10 7.04 3.32 -1.52 -2.95 116.42 122.14 1pis h ASP 54 Ca -0.02 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 1pis h ASP 54 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1pis h ASP 54 CO 0.03 0.12 -0.62 0.00 -1.72 0.00 0.00 179.24 177.05 1pis h ALA 55 N 1.88 0.65 -0.18 3.45 0.00 -1.41 -3.33 119.26 120.32 1pis h ALA 55 Ca -0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 54.91 54.13 1pis h ALA 55 Cb 0.47 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1pis h ALA 55 CO 0.02 0.71 -0.03 0.36 0.00 0.00 0.00 179.25 180.30 1pis n LYS 56 N -3.92 1.85 -0.03 0.00 -0.00 -0.82 -3.99 118.16 111.26 1pis n LYS 56 Ca -0.04 -1.15 0.00 0.00 -0.00 0.00 0.00 58.31 57.12 1pis n LYS 56 Cb 0.64 -1.77 0.00 0.00 -0.00 0.00 0.00 35.03 33.90 1pis n LYS 56 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1pis n ASN 57 N 1.66 0.00 -4.41 -5.58 5.15 -1.25 -4.90 115.26 105.94 1pis n ASN 57 Ca 0.33 -0.42 -0.35 0.00 -0.60 0.00 0.00 54.58 53.54 1pis n ASN 57 Cb 0.71 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.83 1pis n ASN 57 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1pis s LEU 58 N 0.00 3.20 0.25 1.20 2.96 -1.26 -5.03 118.68 120.01 1pis s LEU 58 Ca 0.00 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1pis s LEU 58 Cb 0.00 -1.83 0.50 0.00 0.50 0.00 0.00 46.19 45.36 1pis s LEU 58 CO 0.00 0.01 1.69 -2.24 -1.32 0.00 0.00 176.35 174.49 1pis h ASP 59 N 7.89 0.07 0.23 3.68 2.03 -1.95 -2.78 116.42 125.59 1pis h ASP 59 Ca -0.38 0.15 0.01 0.00 -0.73 0.00 0.00 57.03 56.07 1pis h ASP 59 Cb 1.17 0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 39.83 1pis h ASP 59 CO 0.60 -0.02 -0.26 0.77 -1.03 0.00 0.00 179.24 179.30 1pis h SER 60 N 0.30 -0.70 -3.77 4.15 4.64 -1.95 -3.32 113.55 112.89 1pis h SER 60 Ca 0.44 0.07 -0.63 0.00 -0.47 0.00 0.00 61.79 61.19 1pis h SER 60 Cb 0.76 0.25 -0.40 0.00 -0.31 0.00 0.00 62.40 62.69 1pis h SER 60 CO -0.51 -0.37 -0.70 0.00 -0.87 0.00 0.00 176.83 174.38 1pis s LYS 62 N 0.57 3.32 0.00 0.00 2.47 -1.05 -4.70 119.74 120.35 1pis s LYS 62 Ca 0.14 -0.29 0.00 0.00 -1.56 0.00 0.00 55.97 54.26 1pis s LYS 62 Cb -0.22 -3.95 0.00 0.00 -1.46 0.00 0.00 37.83 32.20 1pis s LYS 62 CO -0.07 -1.07 0.00 1.19 0.16 0.00 0.00 175.35 175.56 1pis n PHE 63 N 6.46 -3.12 -3.01 4.03 3.72 -1.26 -4.96 117.46 119.31 1pis n PHE 63 Ca -0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 1pis n PHE 63 Cb 0.48 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.99 1pis n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1pis s LEU 64 N 0.00 5.40 -0.35 4.37 1.02 -1.26 -4.84 118.68 123.02 1pis s LEU 64 Ca 0.00 -2.15 -0.28 0.00 0.02 0.00 0.00 54.13 51.73 1pis s LEU 64 Cb 0.00 -2.36 -0.07 0.00 0.02 0.00 0.00 46.19 43.79 1pis s LEU 64 CO 0.00 -0.97 2.31 0.52 0.02 0.00 0.00 176.35 178.23 1pis n VAL 65 N 5.19 0.15 -1.41 -1.59 0.31 -1.26 -4.96 118.33 114.76 1pis n VAL 65 Ca 0.21 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1pis n VAL 65 Cb 0.48 -2.57 0.00 0.00 -0.91 0.00 0.00 33.84 30.85 1pis n VAL 65 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1pis n ASP 66 N 13.27 0.08 -3.07 4.52 2.03 -1.26 -4.98 116.55 127.14 1pis n ASP 66 Ca 0.34 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.47 1pis n ASP 66 Cb 0.46 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.83 1pis n ASP 66 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1pis n ASN 67 N 0.00 -1.06 -4.59 1.67 0.23 -1.26 -4.60 115.26 105.66 1pis n ASN 67 Ca 0.00 -2.81 -0.43 0.00 -0.53 0.00 0.00 54.58 50.81 1pis n ASN 67 Cb 0.00 0.22 -0.04 0.00 -2.08 0.00 0.00 39.78 37.89 1pis n ASN 67 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1pis s PRO 68 N -0.30 3.72 0.00 -0.53 0.04 -1.26 -4.88 135.00 131.79 1pis s PRO 68 Ca 0.33 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1pis s PRO 68 Cb 0.15 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1pis s PRO 68 CO -0.16 -1.10 0.00 0.66 0.04 0.00 0.00 177.00 176.45 1pis n TYR 69 N 7.05 0.00 -2.96 0.56 4.01 -1.26 -4.87 117.16 119.69 1pis n TYR 69 Ca 0.08 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.37 1pis n TYR 69 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.50 1pis n TYR 69 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1pis s THR 70 N 0.17 4.91 0.31 -0.72 -4.23 -1.26 -4.42 115.64 110.40 1pis s THR 70 Ca 0.00 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1pis s THR 70 Cb 0.00 -4.82 0.00 0.00 1.34 0.00 0.00 72.50 69.02 1pis s THR 70 CO 0.00 -1.53 0.00 -0.62 -0.54 0.00 0.00 174.62 171.93 1pis n GLU 71 N 6.00 0.00 -2.69 3.99 1.02 -1.26 -4.73 120.64 122.97 1pis n GLU 71 Ca 0.29 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.09 1pis n GLU 71 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.88 1pis n GLU 71 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pis n SER 72 N -3.45 5.96 -3.58 1.62 2.88 -1.26 -4.99 113.62 110.80 1pis n SER 72 Ca 0.00 -3.70 -0.13 0.00 -1.33 0.00 0.00 58.87 53.71 1pis n SER 72 Cb 0.00 -0.85 -0.06 0.00 -0.75 0.00 0.00 64.21 62.55 1pis n SER 72 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1pis s TYR 73 N -3.89 -0.51 0.00 0.66 1.13 -1.26 -4.70 117.35 108.77 1pis s TYR 73 Ca 0.45 1.00 0.00 0.00 -1.41 0.00 0.00 57.07 57.11 1pis s TYR 73 Cb 0.27 0.40 0.00 0.00 -1.10 0.00 0.00 41.96 41.53 1pis s TYR 73 CO -0.16 -0.40 0.00 -1.13 -2.51 0.00 0.00 175.55 171.35 1pis n SER 74 N 1.25 1.26 -0.18 -0.18 3.41 -1.26 -4.96 113.62 112.97 1pis n SER 74 Ca -0.13 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1pis n SER 74 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1pis n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pis n TYR 75 N 0.00 -0.03 -3.61 7.33 4.11 -1.26 -1.97 117.16 121.72 1pis n TYR 75 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.87 1pis n TYR 75 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.29 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 0.77 -0.90 0.36 9.48 0.01 -1.25 -4.43 113.70 117.74 1pis s SER 76 Ca 0.00 1.34 0.08 0.00 1.31 0.00 0.00 55.95 58.68 1pis s SER 76 Cb 0.00 1.72 -0.07 0.00 0.21 0.00 0.00 66.02 67.88 1pis s SER 76 CO 0.00 -0.20 -0.04 0.00 0.41 0.00 0.00 173.24 173.41 1pis n SER 78 N -0.83 0.00 0.00 0.00 7.64 -1.19 -4.88 113.62 114.36 1pis n SER 78 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1pis n SER 78 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1pis n SER 78 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1pis n ASN 79 N 0.00 0.00 -0.05 6.43 5.15 -1.26 -4.79 115.26 120.73 1pis n ASN 79 Ca 0.00 0.06 -0.22 0.00 -0.60 0.00 0.00 54.58 53.83 1pis n ASN 79 Cb 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 1pis n ASN 79 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1pis n THR 80 N -0.12 1.66 -3.61 -0.44 -2.24 -1.26 -4.81 114.28 103.46 1pis n THR 80 Ca 0.00 -0.36 -0.04 0.00 -2.27 0.00 0.00 64.05 61.38 1pis n THR 80 Cb 0.00 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 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 -3.94 -0.87 -3.46 -0.78 4.07 -1.26 -4.19 120.64 110.20 1pis n GLU 81 Ca -0.33 -0.40 -0.37 0.00 -0.06 0.00 0.00 57.16 56.00 1pis n GLU 81 Cb 0.87 0.51 -0.06 0.00 -0.06 0.00 0.00 31.44 32.70 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 -4.48 5.20 0.00 6.31 -1.09 -1.25 -3.15 121.20 122.74 1pis s ILE 82 Ca 0.04 0.75 0.00 0.00 -2.23 0.00 0.00 60.65 59.21 1pis s ILE 82 Cb -0.02 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1pis s ILE 82 CO 0.09 0.42 0.00 1.07 -1.23 0.00 0.00 174.94 175.30 1pis n THR 83 N 3.12 0.00 -3.95 2.92 5.66 -0.66 -4.87 114.28 116.50 1pis n THR 83 Ca -0.11 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.79 1pis n THR 83 Cb 0.52 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 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 -3.09 6.08 0.52 0.00 3.84 -0.83 -3.89 114.94 117.57 1pis s ASN 85 Ca 0.21 1.88 0.31 0.00 0.21 0.00 0.00 52.86 55.47 1pis s ASN 85 Cb -0.03 -2.52 1.32 0.00 -0.55 0.00 0.00 41.25 39.47 1pis s ASN 85 CO 0.13 -1.46 1.98 -1.28 -2.79 0.00 0.00 177.10 173.67 1pis h SER 86 N 12.16 0.00 0.00 -4.21 0.87 -1.92 0.33 113.55 120.78 1pis h SER 86 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1pis h SER 86 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1pis h SER 86 CO 0.98 0.08 0.60 0.07 -0.53 0.00 0.00 176.83 178.03 1pis h LYS 87 N 0.00 0.00 0.00 2.24 2.10 -2.04 -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 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 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 -2.55 0.00 0.00 7.07 5.15 0.11 -5.03 115.26 120.02 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 0.63 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 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 0.00 0.00 0.00 1.20 2.85 -1.26 -4.90 115.26 113.15 1pis n ASN 89 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1pis n ASN 89 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 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 0.02 0.08 5.20 0.00 -1.26 -4.40 120.51 117.14 1pis n ALA 90 Ca 0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.13 1pis n ALA 90 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 0.08 0.04 0.00 0.00 4.81 -1.90 -2.85 114.58 114.75 1pis h GLU 92 Ca -0.23 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.89 1pis h GLU 92 Cb 2.02 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.38 1pis h GLU 92 CO 0.18 0.03 -0.51 0.00 -0.73 0.00 0.00 179.01 177.98 1pis h ALA 93 N 1.86 0.94 0.31 2.92 0.00 -1.76 -3.10 119.26 120.43 1pis h ALA 93 Ca 0.49 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pis h ALA 93 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1pis h ALA 93 CO -0.83 0.64 -0.15 0.35 0.00 0.00 0.00 179.25 179.26 1pis h PHE 94 N 0.00 -0.39 -0.44 0.00 3.04 -1.14 -1.75 116.94 116.26 1pis h PHE 94 Ca -0.01 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1pis h PHE 94 Cb 1.04 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.66 1pis h PHE 94 CO 0.00 -0.24 0.28 0.82 -2.02 0.00 0.00 178.31 177.15 1pis h ILE 95 N -0.66 1.12 -0.81 1.41 1.08 -1.74 -2.05 117.51 115.87 1pis h ILE 95 Ca -0.04 -0.25 0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1pis h ILE 95 Cb 0.32 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.52 1pis h ILE 95 CO 0.07 0.12 0.53 0.00 -0.69 0.00 0.00 178.15 178.19 1pis h ASN 97 N 1.09 0.56 0.34 0.00 -0.73 -0.59 0.11 115.58 116.36 1pis h ASN 97 Ca 0.30 -0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.34 1pis h ASN 97 Cb -0.12 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.33 1pis h ASN 97 CO -0.07 0.62 -0.16 0.00 -0.37 0.00 0.00 177.43 177.45 1pis n ASP 99 N -5.19 0.59 0.04 0.00 2.03 -0.99 -2.28 116.55 110.76 1pis n ASP 99 Ca -0.10 0.74 -0.11 0.00 0.52 0.00 0.00 54.79 55.85 1pis n ASP 99 Cb 0.25 -0.83 -0.08 0.00 -0.72 0.00 0.00 41.12 39.74 1pis n ASP 99 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1pis h ARG 100 N 0.00 -0.19 0.16 -0.67 0.11 -0.77 -3.09 114.38 109.93 1pis h ARG 100 Ca 0.00 0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.09 1pis h ARG 100 Cb 0.09 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1pis h ARG 100 CO 0.00 0.25 -0.08 -0.97 0.10 0.00 0.00 179.97 179.28 1pis h ASN 101 N -0.86 -0.18 -0.11 0.08 -0.73 -1.38 -0.56 115.58 111.84 1pis h ASN 101 Ca -0.02 -0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.15 1pis h ASN 101 Cb 0.53 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 1pis h ASN 101 CO 0.03 -0.11 -0.05 0.00 -0.37 0.00 0.00 177.43 176.93 1pis n ALA 102 N -2.19 -0.04 0.02 1.57 0.00 -0.96 0.00 120.51 118.91 1pis n ALA 102 Ca -0.09 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1pis n ALA 102 Cb 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 0.10 -0.91 -0.69 0.00 0.00 -1.05 -3.14 119.26 113.56 1pis h ALA 103 Ca 0.03 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1pis h ALA 103 Cb 0.05 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.74 1pis h ALA 103 CO -0.11 -0.91 -0.29 0.82 0.00 0.00 0.00 179.25 178.76 1pis h ILE 104 N -0.07 0.17 0.00 0.00 2.04 -1.16 -3.18 117.51 115.32 1pis h ILE 104 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1pis h ILE 104 Cb 0.05 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1pis h ILE 104 CO 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 177.98 1pis h PHE 106 N 0.00 0.00 0.00 0.00 0.04 -1.52 -0.12 116.94 115.35 1pis h PHE 106 Ca -0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 1pis h PHE 106 Cb 0.40 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 1pis h PHE 106 CO 0.00 0.00 -1.66 0.45 -0.60 0.00 0.00 178.31 176.50 1pis n SER 107 N -2.84 0.80 0.02 2.17 2.88 -0.74 -4.53 113.62 111.37 1pis n SER 107 Ca 0.00 0.37 -0.13 0.00 -1.33 0.00 0.00 58.87 57.78 1pis n SER 107 Cb 0.22 0.11 -0.09 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.06 -6.80 -1.46 1.57 -0.79 -3.47 116.57 105.57 1pis h LYS 108 Ca -0.26 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.02 1pis h LYS 108 Cb 1.88 0.01 0.01 0.00 0.08 0.00 0.00 32.23 34.21 1pis h LYS 108 CO 0.06 0.36 0.44 0.00 -0.57 0.00 0.00 179.45 179.74 1pis s ALA 109 N -4.48 3.38 -0.38 3.86 0.00 -0.09 -5.02 121.76 119.02 1pis s ALA 109 Ca -0.15 0.82 -0.33 0.00 0.00 0.00 0.00 51.96 52.29 1pis s ALA 109 Cb 0.02 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 1pis s ALA 109 CO 0.65 -0.06 1.63 -2.30 0.00 0.00 0.00 175.76 175.68 1pis n PRO 110 N 1.24 0.00 -3.07 0.00 -0.02 -1.26 -4.79 135.00 127.10 1pis n PRO 110 Ca -0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.12 1pis n PRO 110 Cb 0.45 -1.14 -0.06 0.00 -0.02 0.00 0.00 33.50 32.73 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 4.58 3.52 -0.54 6.00 5.04 -1.26 -2.75 117.35 131.93 1pis s TYR 111 Ca 0.91 1.37 -0.27 0.00 -2.44 0.00 0.00 57.07 56.64 1pis s TYR 111 Cb -1.14 -2.63 0.03 0.00 0.35 0.00 0.00 41.96 38.57 1pis s TYR 111 CO 0.50 0.20 1.10 -0.80 -1.34 0.00 0.00 175.55 175.21 1pis s ASN 112 N -1.93 6.46 -0.87 4.32 0.02 -1.26 -4.90 114.94 116.77 1pis s ASN 112 Ca 0.49 0.07 0.00 0.00 -1.02 0.00 0.00 52.86 52.41 1pis s ASN 112 Cb -0.14 -2.52 0.34 0.00 0.02 0.00 0.00 41.25 38.96 1pis s ASN 112 CO 0.19 -1.34 1.68 2.29 0.02 0.00 0.00 177.10 179.95 1pis n LYS 113 N 7.99 4.31 0.00 -0.60 0.00 -1.26 -4.27 118.16 124.33 1pis n LYS 113 Ca 0.07 -4.42 0.00 0.00 -0.00 0.00 0.00 58.31 53.97 1pis n LYS 113 Cb 0.49 -2.37 0.00 0.00 -0.00 0.00 0.00 35.03 33.15 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 -0.23 0.00 -0.19 -1.58 0.00 -1.26 -4.81 120.64 112.56 1pis n GLU 114 Ca 0.46 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.65 1pis n GLU 114 Cb 0.30 0.00 0.12 0.00 0.00 0.00 0.00 31.44 31.86 1pis n GLU 114 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1pis n HIS 115 N -2.24 0.47 0.28 -1.84 8.25 -1.26 -4.70 115.22 114.19 1pis n HIS 115 Ca 0.00 -0.19 0.17 0.00 -0.26 0.00 0.00 57.72 57.44 1pis n HIS 115 Cb 0.00 -0.10 0.75 0.00 1.12 0.00 0.00 29.99 31.76 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 1.34 0.00 -2.25 -0.41 3.64 -1.88 -0.76 116.57 116.26 1pis h LYS 116 Ca 0.00 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.92 1pis h LYS 116 Cb 0.60 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.07 1pis h LYS 116 CO 0.07 0.03 -0.76 0.54 -2.27 0.00 0.00 179.45 177.06 1pis s ASN 117 N -5.70 2.01 0.76 4.20 4.22 -1.26 -3.05 114.94 116.12 1pis s ASN 117 Ca -0.00 -1.83 -0.10 0.00 -2.14 0.00 0.00 52.86 48.79 1pis s ASN 117 Cb 0.10 0.12 0.07 0.00 1.28 0.00 0.00 41.25 42.82 1pis s ASN 117 CO 0.53 -0.29 1.11 -0.22 -2.04 0.00 0.00 177.10 176.20 1pis s LEU 118 N 1.30 2.66 0.10 3.54 2.96 -1.17 -5.04 118.68 123.03 1pis s LEU 118 Ca 0.17 0.69 0.23 0.00 -0.22 0.00 0.00 54.13 55.00 1pis s LEU 118 Cb -0.19 -3.27 -0.01 0.00 0.50 0.00 0.00 46.19 43.22 1pis s LEU 118 CO -0.02 -1.73 0.96 0.47 -1.32 0.00 0.00 176.35 174.71 1pis n ASP 119 N -3.13 0.60 -2.47 3.68 8.00 -1.26 -5.03 116.55 116.94 1pis n ASP 119 Ca 0.08 0.04 -0.00 0.00 0.71 0.00 0.00 54.79 55.61 1pis n ASP 119 Cb 0.60 0.83 -0.00 0.00 -0.02 0.00 0.00 41.12 42.53 1pis n ASP 119 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1pis n THR 120 N -2.27 0.04 -0.33 -3.53 5.66 -1.26 -3.90 114.28 108.68 1pis n THR 120 Ca 0.00 -0.02 0.07 0.00 -3.05 0.00 0.00 64.05 61.05 1pis n THR 120 Cb 0.50 -1.48 0.26 0.00 -1.55 0.00 0.00 70.33 68.06 1pis n THR 120 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1pis h LYS 121 N 5.87 0.93 0.00 1.09 3.11 -1.99 -3.40 116.57 122.18 1pis h LYS 121 Ca 0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1pis h LYS 121 Cb 0.02 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.04 1pis h LYS 121 CO 0.47 0.62 0.00 1.63 -2.81 0.00 0.00 179.45 179.36 1pis n LYS 122 N -4.56 0.00 -0.38 1.90 4.01 -1.25 -4.72 118.16 113.15 1pis n LYS 122 Ca 0.17 0.49 0.07 0.00 -0.51 0.00 0.00 58.31 58.53 1pis n LYS 122 Cb 0.32 -1.21 0.25 0.00 -0.51 0.00 0.00 35.03 33.88 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 -1.97 0.94 -0.85 2.13 4.01 -1.26 -5.14 117.16 115.02 1pis n TYR 123 Ca 0.00 -0.40 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 1pis n TYR 123 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 1pis n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40