#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 1.92 0.04 0.00 7.99 -1.26 -3.26 117.00 122.44 1pis n LEU 2 Ca 0.00 -0.90 -0.22 0.00 -0.01 0.00 0.00 56.01 54.88 1pis n LEU 2 Cb 0.00 -0.37 -0.14 0.00 -0.11 0.00 0.00 43.42 42.79 1pis n LEU 2 CO 0.00 0.35 -0.49 4.11 -1.51 0.00 0.00 177.39 179.85 1pis h TRP 3 N 1.82 0.60 0.00 -1.77 5.08 -2.01 -2.95 115.95 116.72 1pis h TRP 3 Ca 0.00 -0.44 0.00 0.00 1.08 0.00 0.00 58.89 59.53 1pis h TRP 3 Cb 0.46 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.60 1pis h TRP 3 CO 0.18 1.63 0.00 0.94 -1.28 0.00 0.00 178.44 179.91 1pis n GLN 4 N -3.74 0.99 -0.21 0.12 0.00 -1.26 -2.13 117.38 111.15 1pis n GLN 4 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.75 1pis n GLN 4 Cb 1.00 -1.36 0.24 0.00 0.00 0.00 0.00 30.24 30.12 1pis n GLN 4 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1pis h PHE 5 N 0.00 0.95 0.09 3.69 3.57 -1.82 -1.14 116.94 122.28 1pis h PHE 5 Ca 0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1pis h PHE 5 Cb 0.00 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1pis h PHE 5 CO 0.00 0.62 -0.15 0.00 -2.23 0.00 0.00 178.31 176.55 1pis h ARG 6 N 1.01 -0.28 -0.95 1.11 -0.00 -1.46 -1.31 114.38 112.50 1pis h ARG 6 Ca 0.27 0.02 0.21 0.00 -0.50 0.00 0.00 59.98 59.98 1pis h ARG 6 Cb -0.08 0.06 -0.18 0.00 0.00 0.00 0.00 29.97 29.78 1pis h ARG 6 CO -0.05 -0.19 -0.16 0.77 0.00 0.00 0.00 179.97 180.34 1pis h SER 7 N -0.29 -0.76 0.33 7.04 0.02 -1.67 -2.78 113.55 115.44 1pis h SER 7 Ca 0.02 0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1pis h SER 7 Cb 0.31 0.55 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 1pis h SER 7 CO -0.08 -0.32 -0.47 -0.03 -1.14 0.00 0.00 176.83 174.79 1pis h MET 8 N 0.01 -0.82 0.00 3.45 -1.53 -0.71 -3.15 114.93 112.17 1pis h MET 8 Ca 0.49 0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.80 1pis h MET 8 Cb 0.83 0.19 0.00 0.00 -0.55 0.00 0.00 31.60 32.06 1pis h MET 8 CO -0.95 -0.55 0.00 -0.89 0.14 0.00 0.00 176.91 174.66 1pis n ILE 9 N -5.52 0.00 0.01 1.77 5.41 -0.54 -2.88 119.36 117.61 1pis n ILE 9 Ca -0.10 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.63 1pis n ILE 9 Cb 0.42 -0.42 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 1pis n ILE 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1pis h LYS 10 N 0.00 -0.14 -0.12 0.38 1.79 -1.48 -3.19 116.57 113.81 1pis h LYS 10 Ca 0.00 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1pis h LYS 10 Cb 0.00 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1pis h LYS 10 CO 0.00 -0.09 -0.07 0.00 -1.08 0.00 0.00 179.45 178.21 1pis n ALA 12 N -3.02 2.54 -3.78 0.00 0.00 -1.18 -4.59 120.51 110.47 1pis n ALA 12 Ca 0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.64 1pis n ALA 12 Cb 0.03 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 1pis n ALA 12 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pis s ILE 13 N -1.86 3.55 -0.60 0.00 -1.09 -1.06 -4.55 121.20 115.59 1pis s ILE 13 Ca 0.34 -4.11 -0.26 0.00 -2.23 0.00 0.00 60.65 54.40 1pis s ILE 13 Cb 0.18 -3.26 -0.06 0.00 -1.58 0.00 0.00 42.46 37.74 1pis s ILE 13 CO 0.28 -1.04 2.21 -2.16 -1.23 0.00 0.00 174.94 173.01 1pis s PRO 14 N -1.42 2.22 0.00 2.79 0.04 -1.26 -4.24 135.00 133.12 1pis s PRO 14 Ca 0.26 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1pis s PRO 14 Cb -0.06 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1pis s PRO 14 CO -0.15 -3.29 0.00 0.41 0.04 0.00 0.00 177.00 174.01 1pis n GLY 15 N 6.09 2.24 3.66 0.56 0.00 -1.26 -5.10 105.19 111.38 1pis n GLY 15 Ca 0.34 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1pis n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pis n SER 16 N 0.15 1.13 -4.60 1.61 7.64 -1.26 -5.02 113.62 113.26 1pis n SER 16 Ca 0.00 0.76 -0.39 0.00 1.01 0.00 0.00 58.87 60.25 1pis n SER 16 Cb 0.00 -1.46 -0.10 0.00 -1.01 0.00 0.00 64.21 61.64 1pis n SER 16 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1pis s HIS 17 N -1.59 3.23 0.21 1.43 3.76 -1.26 -4.83 115.29 116.24 1pis s HIS 17 Ca 0.78 0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.96 1pis s HIS 17 Cb -0.37 -2.49 0.00 0.00 1.11 0.00 0.00 32.58 30.82 1pis s HIS 17 CO 0.46 -0.21 0.00 -2.30 -0.85 0.00 0.00 174.74 171.84 1pis n PRO 18 N 5.21 1.20 0.00 8.40 -0.02 -1.26 -3.84 135.00 144.69 1pis n PRO 18 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1pis n PRO 18 Cb 0.51 -0.42 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 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 -0.02 2.45 7.99 -1.26 -0.94 117.00 125.22 1pis n LEU 19 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.89 1pis n LEU 19 Cb 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.26 1pis n LEU 19 CO 0.00 0.00 0.93 0.24 -1.51 0.00 0.00 177.39 177.05 1pis h MET 20 N 0.00 0.18 0.06 3.23 2.86 -2.01 -1.57 114.93 117.67 1pis h MET 20 Ca 0.00 -0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.46 1pis h MET 20 Cb 0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1pis h MET 20 CO 0.00 0.12 -0.86 -0.44 1.06 0.00 0.00 176.91 176.79 1pis h ASP 21 N 0.18 0.20 0.74 1.22 3.32 -1.44 -3.44 116.42 117.20 1pis h ASP 21 Ca 0.05 -0.84 0.00 0.00 0.02 0.00 0.00 57.03 56.26 1pis h ASP 21 Cb -0.02 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1pis h ASP 21 CO -0.01 1.37 0.00 0.49 -1.72 0.00 0.00 179.24 179.37 1pis n PHE 22 N -4.27 0.30 -0.07 4.55 3.72 -0.12 -4.40 117.46 117.18 1pis n PHE 22 Ca -0.20 0.11 -0.06 0.00 -0.05 0.00 0.00 57.45 57.25 1pis n PHE 22 Cb 0.71 -0.68 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 1pis n PHE 22 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1pis h ASN 23 N 0.00 0.00 0.02 4.37 -1.24 -1.55 -3.39 115.58 113.80 1pis h ASN 23 Ca 0.00 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 56.85 1pis h ASN 23 Cb 0.37 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 1pis h ASN 23 CO 0.00 0.75 -0.01 0.78 -1.29 0.00 0.00 177.43 177.66 1pis h ASN 24 N -1.00 0.00 -3.95 1.15 4.21 -1.79 -3.47 115.58 110.73 1pis h ASN 24 Ca -0.04 0.00 -0.48 0.00 1.21 0.00 0.00 56.30 57.00 1pis h ASN 24 Cb 0.44 0.00 0.16 0.00 -1.12 0.00 0.00 38.32 37.80 1pis h ASN 24 CO -0.02 0.01 0.20 -0.72 -1.29 0.00 0.00 177.43 175.61 1pis s TYR 25 N -4.73 2.07 0.41 1.19 -0.85 -1.17 -4.44 117.35 109.82 1pis s TYR 25 Ca -0.05 1.28 0.00 0.00 -0.52 0.00 0.00 57.07 57.79 1pis s TYR 25 Cb 0.16 -3.18 0.00 0.00 0.38 0.00 0.00 41.96 39.32 1pis s TYR 25 CO 0.59 -2.72 0.00 0.41 -1.52 0.00 0.00 175.55 172.31 1pis n GLY 26 N -0.66 -2.23 0.07 5.49 0.00 -0.05 -4.81 105.19 102.99 1pis n GLY 26 Ca 0.07 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.65 3.68 -3.17 0.00 4.11 -1.26 -4.98 117.16 110.89 1pis n TYR 28 Ca -0.08 -3.50 -0.46 0.00 -0.00 0.00 0.00 57.90 53.87 1pis n TYR 28 Cb 0.35 -0.48 -0.03 0.00 -0.00 0.00 0.00 39.34 39.18 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 4.80 0.51 3.55 0.00 0.00 -1.26 -5.10 105.19 107.69 1pis n GLY 30 Ca 0.08 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 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 3.24 0.00 0.99 1.43 -1.26 -4.42 118.68 118.65 1pis s LEU 31 Ca 0.00 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1pis s LEU 31 Cb 0.00 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1pis s LEU 31 CO 0.00 -2.07 0.00 0.61 0.23 0.00 0.00 176.35 175.12 1pis n GLY 32 N 5.73 1.32 3.61 -3.19 0.00 -1.26 -5.03 105.19 106.38 1pis n GLY 32 Ca 0.15 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.46 3.56 -0.02 0.00 -1.26 -4.89 105.19 104.03 1pis n GLY 33 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 1.93 0.00 1.61 3.41 -1.26 -4.74 113.62 114.56 1pis n SER 34 Ca 0.00 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1pis n SER 34 Cb 0.00 -1.63 0.00 0.00 -0.26 0.00 0.00 64.21 62.32 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 6.55 0.84 0.00 5.00 0.00 -1.26 -5.17 105.19 111.15 1pis n GLY 35 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 3.43 0.00 1.09 -0.02 -1.26 -4.55 135.00 133.69 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 -3.74 -1.45 0.24 -1.25 -4.33 118.33 107.80 1pis n VAL 38 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 1pis n VAL 38 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 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 -0.24 6.36 0.00 -1.34 1.01 -1.26 -5.05 116.67 116.15 1pis s ASP 39 Ca 0.00 0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.59 1pis s ASP 39 Cb 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.95 1pis s ASP 39 CO 0.00 -0.06 0.19 -1.84 0.21 0.00 0.00 175.17 173.68 1pis n GLU 40 N -0.84 0.00 0.10 8.23 0.00 -1.26 -2.32 120.64 124.54 1pis n GLU 40 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.23 1pis n GLU 40 Cb 0.54 -1.20 0.29 0.00 0.00 0.00 0.00 31.44 31.07 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 -1.24 -1.84 5.85 -1.91 -0.31 115.31 115.86 1pis h LEU 41 Ca 0.00 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1pis h LEU 41 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1pis h LEU 41 CO 0.00 0.04 -0.37 -0.78 -0.34 0.00 0.00 178.44 177.00 1pis h ASP 42 N 0.00 0.00 0.26 1.25 1.82 -1.81 -3.29 116.42 114.65 1pis h ASP 42 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1pis h ASP 42 Cb 0.77 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.77 1pis h ASP 42 CO 0.00 0.37 -0.14 -0.09 -1.61 0.00 0.00 179.24 177.76 1pis h ARG 43 N 0.00 0.00 0.00 0.28 1.12 -1.32 -0.10 114.38 114.36 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 0.69 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.63 1pis h ARG 43 CO 0.05 0.14 -0.64 0.00 -3.11 0.00 0.00 179.97 176.40 1pis h GLU 46 N 0.75 -0.30 0.02 0.00 4.57 -0.93 -1.42 114.58 117.28 1pis h GLU 46 Ca 0.14 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1pis h GLU 46 Cb 0.49 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1pis h GLU 46 CO 0.02 -0.20 -0.01 1.15 -1.18 0.00 0.00 179.01 178.80 1pis h THR 47 N -0.31 1.18 -0.54 0.32 2.02 -1.60 -2.72 112.91 111.26 1pis h THR 47 Ca 0.15 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1pis h THR 47 Cb 0.56 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1pis h THR 47 CO -0.52 0.16 0.16 -0.74 0.37 0.00 0.00 175.52 174.95 1pis h HIS 48 N -0.30 0.83 -0.09 3.16 -0.00 -1.54 -1.04 115.15 116.17 1pis h HIS 48 Ca -0.00 -0.06 -0.11 0.00 -0.00 0.00 0.00 60.37 60.19 1pis h HIS 48 Cb 0.28 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 1pis h HIS 48 CO 0.02 0.68 -0.44 0.38 -0.00 0.00 0.00 177.93 178.56 1pis h ASP 49 N 0.79 0.23 0.84 3.26 3.04 -1.30 -1.62 116.42 121.66 1pis h ASP 49 Ca 0.18 -0.10 -0.21 0.00 -3.24 0.00 0.00 57.03 53.66 1pis h ASP 49 Cb 0.25 -0.06 -0.03 0.00 -1.04 0.00 0.00 39.33 38.44 1pis h ASP 49 CO -0.01 0.65 -1.25 -1.13 -2.04 0.00 0.00 179.24 175.46 1pis h ASN 50 N 0.18 0.00 -0.56 4.15 -1.24 -1.45 -0.99 115.58 115.67 1pis h ASN 50 Ca 0.01 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.01 1pis h ASN 50 Cb 0.86 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.88 1pis h ASN 50 CO 0.07 0.80 0.28 0.00 -1.29 0.00 0.00 177.43 177.29 1pis h TYR 52 N 0.76 0.58 -0.46 0.00 -1.99 -1.35 -1.50 116.97 113.01 1pis h TYR 52 Ca 0.19 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.99 1pis h TYR 52 Cb 0.10 -0.19 -0.05 0.00 2.00 0.00 0.00 36.73 38.59 1pis h TYR 52 CO -0.01 0.37 0.19 0.00 -0.00 0.00 0.00 178.16 178.71 1pis h ARG 53 N 0.62 0.36 0.00 4.88 2.47 -1.12 -1.21 114.38 120.39 1pis h ARG 53 Ca 0.17 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.79 1pis h ARG 53 Cb -0.05 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 1pis h ARG 53 CO -0.03 0.24 -0.37 -0.44 0.56 0.00 0.00 179.97 179.93 1pis h ASP 54 N 0.37 0.00 0.30 7.04 3.32 -1.34 -3.32 116.42 122.80 1pis h ASP 54 Ca 0.21 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.05 1pis h ASP 54 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1pis h ASP 54 CO -0.19 0.37 -0.84 0.00 -1.72 0.00 0.00 179.24 176.85 1pis h ALA 55 N 1.63 0.47 0.00 3.45 0.00 -1.06 -3.30 119.26 120.45 1pis h ALA 55 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1pis h ALA 55 Cb 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1pis h ALA 55 CO 0.05 0.80 0.00 0.36 0.00 0.00 0.00 179.25 180.45 1pis n LYS 56 N -3.78 0.64 -0.61 0.00 -0.00 -0.47 -4.04 118.16 109.90 1pis n LYS 56 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.23 1pis n LYS 56 Cb 0.78 -1.32 -0.02 0.00 -0.00 0.00 0.00 35.03 34.47 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 0.20 -0.32 -4.41 -5.58 5.15 -1.24 -4.95 115.26 104.10 1pis n ASN 57 Ca 0.00 -1.15 -0.36 0.00 -0.60 0.00 0.00 54.58 52.47 1pis n ASN 57 Cb 0.17 0.10 -0.13 0.00 -0.53 0.00 0.00 39.78 39.39 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 3.26 0.32 1.20 2.96 -1.24 -5.01 118.68 120.17 1pis s LEU 58 Ca 0.00 -0.25 0.10 0.00 -0.22 0.00 0.00 54.13 53.76 1pis s LEU 58 Cb 0.00 -1.85 0.92 0.00 0.50 0.00 0.00 46.19 45.76 1pis s LEU 58 CO 0.00 -0.00 1.71 -0.78 -1.32 0.00 0.00 176.35 175.96 1pis h ASP 59 N 7.98 0.62 -0.53 3.68 3.58 -1.96 -2.68 116.42 127.11 1pis h ASP 59 Ca -0.38 0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 1pis h ASP 59 Cb 1.17 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 1pis h ASP 59 CO 0.59 0.05 0.30 0.28 -2.88 0.00 0.00 179.24 177.58 1pis h SER 60 N 0.52 0.65 -3.07 2.28 0.02 -1.95 -3.39 113.55 108.61 1pis h SER 60 Ca 0.66 -0.08 -0.55 0.00 -0.84 0.00 0.00 61.79 60.97 1pis h SER 60 Cb 1.30 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 63.28 1pis h SER 60 CO -0.51 0.55 -0.76 0.00 -1.14 0.00 0.00 176.83 174.97 1pis s LYS 62 N 1.82 3.96 0.00 0.00 -0.14 -1.17 -4.39 119.74 119.82 1pis s LYS 62 Ca 0.07 0.45 0.00 0.00 -1.36 0.00 0.00 55.97 55.13 1pis s LYS 62 Cb -0.17 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 1pis s LYS 62 CO -0.25 0.60 0.73 1.19 -0.76 0.00 0.00 175.35 176.87 1pis n PHE 63 N 1.37 0.00 0.32 3.18 3.01 -1.26 -1.57 117.46 122.51 1pis n PHE 63 Ca -0.10 -0.33 0.16 0.00 1.01 0.00 0.00 57.45 58.19 1pis n PHE 63 Cb 0.52 -0.20 0.67 0.00 -0.01 0.00 0.00 39.48 40.46 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 1.05 0.00 -0.10 4.37 -0.00 -2.02 -3.34 115.31 115.28 1pis h LEU 64 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1pis h LEU 64 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1pis h LEU 64 CO 0.00 0.00 -0.00 -0.37 -0.00 0.00 0.00 178.44 178.07 1pis h VAL 65 N 0.00 1.26 -4.95 1.22 -1.51 -1.63 -3.49 116.25 107.14 1pis h VAL 65 Ca 0.00 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 1pis h VAL 65 Cb 0.40 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1pis h VAL 65 CO 0.00 0.23 -0.02 0.47 -1.23 0.00 0.00 177.57 177.02 1pis n ASP 66 N -4.81 -6.81 -3.56 4.19 8.00 -1.25 -5.06 116.55 107.25 1pis n ASP 66 Ca -0.06 -0.04 -0.27 0.00 0.71 0.00 0.00 54.79 55.13 1pis n ASP 66 Cb 0.20 -4.57 -0.11 0.00 -0.02 0.00 0.00 41.12 36.63 1pis n ASP 66 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1pis n ASN 67 N -1.58 0.81 0.01 -2.24 6.94 -1.26 -5.06 115.26 112.87 1pis n ASN 67 Ca 0.00 -2.69 -0.03 0.00 -0.02 0.00 0.00 54.58 51.84 1pis n ASN 67 Cb 0.49 -0.63 -0.02 0.00 -2.36 0.00 0.00 39.78 37.27 1pis n ASN 67 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1pis h PRO 68 N 5.48 -0.13 0.00 -0.53 0.13 -1.97 -3.49 132.00 131.50 1pis h PRO 68 Ca 0.22 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1pis h PRO 68 Cb 0.85 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1pis h PRO 68 CO 0.50 0.01 0.00 0.66 -0.23 0.00 0.00 178.00 178.94 1pis n TYR 69 N -4.86 0.00 -2.61 1.56 4.01 -1.26 -4.80 117.16 109.21 1pis n TYR 69 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1pis n TYR 69 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1pis n TYR 69 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1pis s THR 70 N 3.28 3.91 0.24 -0.72 2.01 -1.20 -4.65 115.64 118.50 1pis s THR 70 Ca 0.00 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1pis s THR 70 Cb 0.00 -4.82 0.00 0.00 0.01 0.00 0.00 72.50 67.69 1pis s THR 70 CO 0.00 -1.62 0.00 -0.62 -0.69 0.00 0.00 174.62 171.69 1pis n GLU 71 N 8.82 0.00 0.13 4.92 1.02 -1.26 -2.91 120.64 131.36 1pis n GLU 71 Ca 0.04 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.93 1pis n GLU 71 Cb 0.49 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.75 1pis n GLU 71 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1pis h SER 72 N 0.00 0.81 -4.29 1.62 0.87 -2.00 -3.49 113.55 107.08 1pis h SER 72 Ca 0.00 -0.92 -0.49 0.00 -1.23 0.00 0.00 61.79 59.14 1pis h SER 72 Cb 0.00 -0.26 0.04 0.00 -0.44 0.00 0.00 62.40 61.74 1pis h SER 72 CO 0.00 1.73 0.40 -0.72 -0.53 0.00 0.00 176.83 177.71 1pis s TYR 73 N -2.60 3.52 0.32 2.24 -0.85 -1.26 -5.11 117.35 113.62 1pis s TYR 73 Ca -0.10 1.37 0.01 0.00 -0.52 0.00 0.00 57.07 57.83 1pis s TYR 73 Cb 0.04 -2.76 -0.00 0.00 0.38 0.00 0.00 41.96 39.62 1pis s TYR 73 CO 0.93 -0.60 0.41 0.45 -1.52 0.00 0.00 175.55 175.22 1pis n SER 74 N -2.27 -1.12 -3.27 -0.18 2.88 -1.26 -4.97 113.62 103.43 1pis n SER 74 Ca 0.06 -2.85 -0.20 0.00 -1.33 0.00 0.00 58.87 54.56 1pis n SER 74 Cb 0.54 2.18 -0.08 0.00 -0.75 0.00 0.00 64.21 66.10 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 -0.55 -0.70 -4.50 0.66 4.11 -1.26 -1.53 117.16 113.38 1pis n TYR 75 Ca 0.02 -2.77 -0.24 0.00 -0.00 0.00 0.00 57.90 54.91 1pis n TYR 75 Cb 0.55 0.26 -0.10 0.00 -0.00 0.00 0.00 39.34 40.05 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 -3.33 3.49 0.11 9.48 0.01 -1.20 -4.68 113.70 117.58 1pis s SER 76 Ca 0.38 -1.14 -0.08 0.00 1.31 0.00 0.00 55.95 56.42 1pis s SER 76 Cb 0.02 -0.30 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 1pis s SER 76 CO 0.27 -0.15 0.19 0.00 0.41 0.00 0.00 173.24 173.96 1pis n SER 78 N -0.09 0.00 0.00 0.00 7.64 -1.13 -4.77 113.62 115.28 1pis n SER 78 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1pis n SER 78 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1pis n SER 78 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pis n ASN 79 N 0.00 0.00 -4.63 6.43 4.13 -1.26 -4.64 115.26 115.29 1pis n ASN 79 Ca 0.00 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.87 1pis n ASN 79 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 1pis n ASN 79 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1pis s THR 80 N 0.00 5.14 -0.41 3.41 -4.23 -1.26 -4.78 115.64 113.50 1pis s THR 80 Ca 0.00 0.75 0.07 0.00 -1.18 0.00 0.00 61.69 61.33 1pis s THR 80 Cb 0.00 -3.77 0.23 0.00 1.34 0.00 0.00 72.50 70.31 1pis s THR 80 CO 0.00 0.16 0.56 1.21 -0.54 0.00 0.00 174.62 176.00 1pis n GLU 81 N 5.15 0.64 -3.47 3.99 4.07 -1.26 -5.03 120.64 124.74 1pis n GLU 81 Ca -0.06 -2.95 -0.38 0.00 -0.06 0.00 0.00 57.16 53.71 1pis n GLU 81 Cb 0.50 -1.33 -0.06 0.00 -0.06 0.00 0.00 31.44 30.50 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 -0.64 4.98 0.00 6.31 1.01 -1.26 -2.82 121.20 128.78 1pis s ILE 82 Ca 0.34 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1pis s ILE 82 Cb 0.15 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1pis s ILE 82 CO -0.14 0.57 0.00 1.07 0.00 0.00 0.00 174.94 176.43 1pis n THR 83 N 1.77 0.00 -3.78 2.92 5.66 -1.20 -4.86 114.28 114.80 1pis n THR 83 Ca -0.13 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.78 1pis n THR 83 Cb 0.52 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.33 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 -3.02 6.10 0.08 0.00 3.84 -0.58 -3.24 114.94 118.12 1pis s ASN 85 Ca 0.16 0.98 0.17 0.00 0.21 0.00 0.00 52.86 54.38 1pis s ASN 85 Cb -0.05 -2.53 0.73 0.00 -0.55 0.00 0.00 41.25 38.85 1pis s ASN 85 CO 0.12 -1.60 1.54 -0.24 -2.79 0.00 0.00 177.10 174.12 1pis n SER 86 N 9.63 0.22 -0.59 -4.21 2.88 -1.26 -1.51 113.62 118.78 1pis n SER 86 Ca 0.19 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 1pis n SER 86 Cb 0.48 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1pis n SER 86 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1pis n LYS 87 N -1.74 0.00 -1.94 -1.46 2.85 -1.26 -5.00 118.16 109.61 1pis n LYS 87 Ca 0.03 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.87 1pis n LYS 87 Cb 0.19 -1.04 -0.03 0.00 -0.65 0.00 0.00 35.03 33.50 1pis n LYS 87 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1pis s ASN 88 N -0.62 6.58 0.00 -5.58 2.20 -0.57 -5.01 114.94 111.94 1pis s ASN 88 Ca 0.00 2.67 0.00 0.00 -0.94 0.00 0.00 52.86 54.59 1pis s ASN 88 Cb 0.00 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.64 1pis s ASN 88 CO 0.00 -0.79 0.00 -3.20 -2.94 0.00 0.00 177.10 170.17 1pis n ASN 89 N 3.21 0.00 0.00 3.54 2.85 -1.26 -4.84 115.26 118.76 1pis n ASN 89 Ca 0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1pis n ASN 89 Cb 0.39 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.41 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 0.00 0.09 5.20 0.00 -1.26 -4.35 120.51 117.18 1pis n ALA 90 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1pis n ALA 90 Cb 0.00 0.00 -0.13 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 0.13 0.65 -0.42 0.00 4.39 -1.97 -2.37 114.58 114.97 1pis h GLU 92 Ca -0.18 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1pis h GLU 92 Cb 1.85 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.34 1pis h GLU 92 CO 0.22 0.43 0.24 0.00 -1.16 0.00 0.00 179.01 178.74 1pis h ALA 93 N 1.50 1.63 0.35 3.43 0.00 -1.76 -2.93 119.26 121.48 1pis h ALA 93 Ca 0.42 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1pis h ALA 93 Cb 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pis h ALA 93 CO -0.31 0.32 -0.17 0.35 0.00 0.00 0.00 179.25 179.45 1pis h PHE 94 N 0.58 -0.44 -0.76 0.00 3.04 -1.09 -1.30 116.94 116.98 1pis h PHE 94 Ca 0.15 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.05 1pis h PHE 94 Cb 0.01 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 1pis h PHE 94 CO 0.00 -0.11 0.32 0.82 -2.02 0.00 0.00 178.31 177.32 1pis h ILE 95 N -0.79 1.25 0.00 1.41 1.08 -1.58 -1.80 117.51 117.08 1pis h ILE 95 Ca -0.05 -0.77 -0.03 0.00 -0.39 0.00 0.00 64.86 63.63 1pis h ILE 95 Cb 0.52 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 1pis h ILE 95 CO 0.08 0.31 -0.14 0.00 -0.69 0.00 0.00 178.15 177.72 1pis h ASN 97 N 0.00 0.00 0.00 0.00 -0.26 -0.56 -0.46 115.58 114.29 1pis h ASN 97 Ca -0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1pis h ASN 97 Cb 0.43 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 1pis h ASN 97 CO 0.02 0.00 -0.28 0.00 -1.06 0.00 0.00 177.43 176.11 1pis h ASP 99 N -1.00 0.00 0.30 0.00 1.82 -1.57 -1.72 116.42 114.25 1pis h ASP 99 Ca -0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 1pis h ASP 99 Cb 0.91 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.92 1pis h ASP 99 CO -0.04 0.00 -0.14 0.08 -1.61 0.00 0.00 179.24 177.52 1pis h ARG 100 N 0.00 -0.38 -0.41 0.28 0.11 -1.16 -2.67 114.38 110.15 1pis h ARG 100 Ca 0.00 0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1pis h ARG 100 Cb 0.61 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1pis h ARG 100 CO 0.00 -0.25 0.00 -1.71 0.10 0.00 0.00 179.97 178.11 1pis n ASN 101 N -3.78 0.41 -0.04 0.08 2.85 -1.05 -0.79 115.26 112.94 1pis n ASN 101 Ca -0.05 -1.21 -0.02 0.00 -0.11 0.00 0.00 54.58 53.18 1pis n ASN 101 Cb 0.16 -0.21 -0.01 0.00 1.24 0.00 0.00 39.78 40.96 1pis n ASN 101 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pis n ALA 102 N -0.03 0.24 0.02 5.20 0.00 -0.67 -4.16 120.51 121.10 1pis n ALA 102 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 1pis n ALA 102 Cb 0.10 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.49 0.04 -0.19 0.00 0.00 -0.68 -2.36 119.26 114.57 1pis h ALA 103 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1pis h ALA 103 Cb 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1pis h ALA 103 CO 0.00 -0.40 -0.12 0.82 0.00 0.00 0.00 179.25 179.55 1pis h ILE 104 N -0.08 0.65 0.00 0.00 2.04 -1.21 -3.31 117.51 115.61 1pis h ILE 104 Ca 0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 1pis h ILE 104 Cb 0.12 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1pis h ILE 104 CO -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 178.15 177.90 1pis h PHE 106 N 0.00 0.00 0.00 0.00 0.04 -1.51 -0.12 116.94 115.36 1pis h PHE 106 Ca -0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 1pis h PHE 106 Cb 0.49 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 1pis h PHE 106 CO 0.00 0.01 -1.67 0.45 -0.60 0.00 0.00 178.31 176.50 1pis n SER 107 N -3.49 0.67 0.14 2.17 2.88 -0.73 -4.56 113.62 110.70 1pis n SER 107 Ca -0.03 0.30 -0.12 0.00 -1.33 0.00 0.00 58.87 57.70 1pis n SER 107 Cb 0.10 0.36 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.39 -7.31 -1.46 1.57 -0.58 -3.47 116.57 104.93 1pis h LYS 108 Ca -0.24 0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 58.05 1pis h LYS 108 Cb 1.74 0.09 0.14 0.00 0.08 0.00 0.00 32.23 34.28 1pis h LYS 108 CO 0.05 -0.06 0.30 0.00 -0.57 0.00 0.00 179.45 179.18 1pis s ALA 109 N -4.31 2.12 0.00 3.86 0.00 -0.11 -5.08 121.76 118.24 1pis s ALA 109 Ca -0.13 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1pis s ALA 109 Cb 0.01 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1pis s ALA 109 CO 0.47 -1.91 0.00 -2.30 0.00 0.00 0.00 175.76 172.01 1pis n PRO 110 N -3.62 2.28 -3.71 0.00 -0.02 -1.26 -4.91 135.00 123.75 1pis n PRO 110 Ca 0.09 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.43 1pis n PRO 110 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.93 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 -0.26 -0.66 6.00 5.04 -1.26 -4.59 117.35 121.63 1pis s TYR 111 Ca 0.00 0.36 -0.19 0.00 -2.44 0.00 0.00 57.07 54.80 1pis s TYR 111 Cb 0.00 0.16 0.11 0.00 0.35 0.00 0.00 41.96 42.58 1pis s TYR 111 CO 0.00 -0.46 0.81 -0.80 -1.34 0.00 0.00 175.55 173.76 1pis s ASN 112 N -1.46 6.27 -0.11 4.32 0.01 -1.26 -4.88 114.94 117.83 1pis s ASN 112 Ca -0.11 -1.50 0.08 0.00 -0.71 0.00 0.00 52.86 50.61 1pis s ASN 112 Cb -0.03 -2.33 0.41 0.00 0.41 0.00 0.00 41.25 39.70 1pis s ASN 112 CO 0.04 -1.14 1.15 1.17 -1.51 0.00 0.00 177.10 176.80 1pis n LYS 113 N 6.47 2.85 0.02 -0.60 3.00 -1.26 -4.11 118.16 124.54 1pis n LYS 113 Ca -0.03 -1.56 0.00 0.00 -0.00 0.00 0.00 58.31 56.72 1pis n LYS 113 Cb 0.44 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.65 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 0.35 0.00 0.00 1.64 0.28 -1.26 -4.70 120.64 116.94 1pis n GLU 114 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1pis n GLU 114 Cb 0.68 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.55 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 -2.34 0.00 0.27 -1.84 8.25 -1.26 -4.60 115.22 113.69 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 -0.02 0.73 0.00 1.12 0.00 0.00 29.99 31.82 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 0.04 0.00 -2.47 -0.41 3.64 -1.84 -0.08 116.57 115.45 1pis h LYS 116 Ca 0.00 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.89 1pis h LYS 116 Cb 0.10 0.00 -0.37 0.00 -0.41 0.00 0.00 32.23 31.55 1pis h LYS 116 CO 0.00 0.11 -0.77 1.21 -2.27 0.00 0.00 179.45 177.73 1pis s ASN 117 N -5.99 2.63 0.73 4.20 2.47 -1.26 -3.04 114.94 114.67 1pis s ASN 117 Ca -0.02 -1.60 -0.10 0.00 0.42 0.00 0.00 52.86 51.56 1pis s ASN 117 Cb 0.12 -0.08 0.05 0.00 -1.45 0.00 0.00 41.25 39.89 1pis s ASN 117 CO 0.57 -0.35 1.08 -0.22 -3.72 0.00 0.00 177.10 174.46 1pis s LEU 118 N 1.64 2.79 0.02 3.21 2.96 -1.14 -5.04 118.68 123.11 1pis s LEU 118 Ca 0.14 0.81 0.23 0.00 -0.22 0.00 0.00 54.13 55.09 1pis s LEU 118 Cb -0.18 -3.47 0.21 0.00 0.50 0.00 0.00 46.19 43.25 1pis s LEU 118 CO -0.16 -1.55 1.19 0.47 -1.32 0.00 0.00 176.35 174.98 1pis n ASP 119 N -3.04 0.66 -2.31 3.68 8.00 -1.26 -5.02 116.55 117.26 1pis n ASP 119 Ca 0.07 -0.41 -0.03 0.00 0.71 0.00 0.00 54.79 55.13 1pis n ASP 119 Cb 0.59 0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 42.21 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 -1.63 0.74 -0.36 -3.53 5.66 -1.26 -3.67 114.28 110.23 1pis n THR 120 Ca 0.04 -0.35 0.08 0.00 -3.05 0.00 0.00 64.05 60.77 1pis n THR 120 Cb 0.36 -1.57 0.25 0.00 -1.55 0.00 0.00 70.33 67.82 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 4.98 0.94 0.00 1.09 3.11 -1.95 -3.40 116.57 121.34 1pis h LYS 121 Ca 0.04 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1pis h LYS 121 Cb 0.38 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1pis h LYS 121 CO 0.38 0.62 0.00 1.63 -2.81 0.00 0.00 179.45 179.27 1pis n LYS 122 N -4.63 0.00 -0.17 1.90 4.01 -1.24 -4.72 118.16 113.31 1pis n LYS 122 Ca 0.19 0.45 0.09 0.00 -0.51 0.00 0.00 58.31 58.53 1pis n LYS 122 Cb 0.38 -1.19 0.26 0.00 -0.51 0.00 0.00 35.03 33.96 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 -1.84 0.45 -0.93 2.13 4.01 -1.26 -5.15 117.16 114.58 1pis n TYR 123 Ca 0.00 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 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