#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 -0.08 0.00 4.77 -1.26 -4.78 117.00 115.66 1pis n LEU 2 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1pis n LEU 2 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1pis n LEU 2 CO 0.00 0.00 -1.00 -2.67 -1.33 0.00 0.00 177.39 172.39 1pis n TRP 3 N -0.45 0.00 0.31 -1.77 4.27 -1.26 -4.35 117.44 114.20 1pis n TRP 3 Ca 0.00 0.00 0.20 0.00 -3.89 0.00 0.00 57.50 53.81 1pis n TRP 3 Cb 0.00 -0.60 0.96 0.00 -1.36 0.00 0.00 31.31 30.31 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 -1.15 -2.67 5.75 -1.87 -1.83 115.11 113.33 1pis h GLN 4 Ca -0.35 0.00 0.33 0.00 -0.15 0.00 0.00 58.65 58.48 1pis h GLN 4 Cb 1.56 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 30.02 1pis h GLN 4 CO -0.05 0.00 0.75 0.35 -2.65 0.00 0.00 178.83 177.24 1pis h PHE 5 N 0.00 0.52 0.51 3.99 3.57 -1.95 -0.55 116.94 123.02 1pis h PHE 5 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1pis h PHE 5 Cb 0.23 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1pis h PHE 5 CO 0.00 -0.02 -0.24 0.00 -2.23 0.00 0.00 178.31 175.82 1pis h ARG 6 N 0.25 -0.66 -0.98 1.11 -0.00 -1.56 -2.17 114.38 110.37 1pis h ARG 6 Ca 0.65 0.04 0.35 0.00 -0.50 0.00 0.00 59.98 60.52 1pis h ARG 6 Cb 1.93 0.15 -0.10 0.00 0.00 0.00 0.00 29.97 31.94 1pis h ARG 6 CO -0.28 -0.36 0.62 0.45 0.00 0.00 0.00 179.97 180.40 1pis n SER 7 N -5.26 0.16 0.06 7.04 2.88 -1.15 -2.62 113.62 114.75 1pis n SER 7 Ca -0.10 1.04 -0.03 0.00 -1.33 0.00 0.00 58.87 58.44 1pis n SER 7 Cb 0.31 -0.51 -0.01 0.00 -0.75 0.00 0.00 64.21 63.25 1pis n SER 7 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1pis h MET 8 N 0.00 -0.19 0.00 -1.46 -1.53 -0.92 -3.16 114.93 107.68 1pis h MET 8 Ca 0.64 0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.91 1pis h MET 8 Cb 2.03 0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 33.13 1pis h MET 8 CO -0.36 -0.12 -0.02 0.82 0.14 0.00 0.00 176.91 177.36 1pis h ILE 9 N -0.43 0.17 0.16 1.77 2.04 -1.19 -1.74 117.51 118.28 1pis h ILE 9 Ca -0.02 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1pis h ILE 9 Cb 0.15 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1pis h ILE 9 CO 0.03 0.02 -0.08 0.11 0.00 0.00 0.00 178.15 178.24 1pis h LYS 10 N 0.00 -0.20 -0.94 2.37 6.56 -1.63 -1.59 116.57 121.14 1pis h LYS 10 Ca -0.00 0.01 0.13 0.00 -1.06 0.00 0.00 60.65 59.74 1pis h LYS 10 Cb 0.14 0.05 -0.15 0.00 -0.57 0.00 0.00 32.23 31.70 1pis h LYS 10 CO 0.00 -0.01 -0.43 0.00 -2.06 0.00 0.00 179.45 176.95 1pis n ALA 12 N -3.39 2.76 -3.91 0.00 0.00 -1.02 -4.68 120.51 110.28 1pis n ALA 12 Ca 0.08 -0.19 -0.28 0.00 0.00 0.00 0.00 53.44 53.05 1pis n ALA 12 Cb 0.37 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.01 2.85 -0.62 0.00 1.01 -0.60 -4.45 121.20 116.38 1pis s ILE 13 Ca 0.13 -4.13 -0.26 0.00 0.00 0.00 0.00 60.65 56.39 1pis s ILE 13 Cb 0.18 -2.89 -0.09 0.00 0.01 0.00 0.00 42.46 39.68 1pis s ILE 13 CO 0.59 -0.97 2.34 -2.84 0.00 0.00 0.00 174.94 174.06 1pis s PRO 14 N -1.27 2.00 0.00 2.79 0.01 -1.26 -4.23 135.00 133.04 1pis s PRO 14 Ca 0.24 0.94 0.00 0.00 0.01 0.00 0.00 61.00 62.19 1pis s PRO 14 Cb -0.08 -4.66 0.00 0.00 0.01 0.00 0.00 34.50 29.77 1pis s PRO 14 CO -0.14 -3.63 0.00 0.41 0.01 0.00 0.00 177.00 173.65 1pis n GLY 15 N 6.29 2.26 3.76 0.52 0.00 -1.26 -5.10 105.19 111.66 1pis n GLY 15 Ca 0.39 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 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 5.61 -0.31 1.61 0.01 -1.26 -5.02 113.70 110.34 1pis s SER 16 Ca 0.00 2.67 -0.20 0.00 1.31 0.00 0.00 55.95 59.73 1pis s SER 16 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 1pis s SER 16 CO 0.00 -1.33 0.63 -1.00 0.41 0.00 0.00 173.24 171.95 1pis s HIS 17 N -1.34 3.20 0.14 2.43 3.76 -1.26 -4.87 115.29 117.34 1pis s HIS 17 Ca 0.67 0.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.12 1pis s HIS 17 Cb -0.38 -3.02 0.00 0.00 1.11 0.00 0.00 32.58 30.29 1pis s HIS 17 CO 0.46 -0.50 0.00 -2.30 -0.85 0.00 0.00 174.74 171.55 1pis n PRO 18 N 5.91 0.88 0.00 8.40 -0.02 -1.26 -3.88 135.00 145.04 1pis n PRO 18 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1pis n PRO 18 Cb 0.49 -0.27 0.00 0.00 -0.02 0.00 0.00 33.50 33.70 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 0.09 2.45 7.99 -1.26 -0.99 117.00 125.28 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 -0.15 0.03 3.23 2.86 -2.01 -1.60 114.93 117.29 1pis h MET 20 Ca 0.00 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1pis h MET 20 Cb 0.00 0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.70 1pis h MET 20 CO 0.00 -0.05 -0.20 -0.44 1.06 0.00 0.00 176.91 177.28 1pis h ASP 21 N -0.20 0.13 0.79 1.22 5.19 -1.46 -3.43 116.42 118.65 1pis h ASP 21 Ca -0.02 -0.92 0.00 0.00 -0.62 0.00 0.00 57.03 55.47 1pis h ASP 21 Cb 0.16 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1pis h ASP 21 CO 0.03 1.04 0.00 0.49 -3.12 0.00 0.00 179.24 177.68 1pis n PHE 22 N -4.51 0.85 -0.03 4.55 3.72 -0.16 -4.59 117.46 117.28 1pis n PHE 22 Ca -0.11 0.33 -0.02 0.00 -0.05 0.00 0.00 57.45 57.60 1pis n PHE 22 Cb 0.54 -1.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.05 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 -1.14 4.37 -1.24 -1.56 -3.41 115.58 112.60 1pis h ASN 23 Ca 0.00 0.00 -0.72 0.00 0.71 0.00 0.00 56.30 56.29 1pis h ASN 23 Cb 0.39 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 39.33 1pis h ASN 23 CO 0.00 0.36 2.13 0.59 -1.29 0.00 0.00 177.43 179.22 1pis n ASN 24 N -3.38 4.82 -3.63 1.15 4.13 -1.26 -4.88 115.26 112.22 1pis n ASN 24 Ca -0.03 -2.96 -0.15 0.00 1.68 0.00 0.00 54.58 53.13 1pis n ASN 24 Cb 0.12 -1.63 -0.07 0.00 -1.54 0.00 0.00 39.78 36.66 1pis n ASN 24 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1pis s TYR 25 N 2.56 -0.69 0.30 3.10 6.14 -1.26 -3.33 117.35 124.17 1pis s TYR 25 Ca 0.47 1.58 0.00 0.00 0.64 0.00 0.00 57.07 59.75 1pis s TYR 25 Cb 0.05 0.28 0.00 0.00 0.42 0.00 0.00 41.96 42.71 1pis s TYR 25 CO 0.01 -0.41 0.00 0.41 0.64 0.00 0.00 175.55 176.20 1pis n GLY 26 N 2.28 -1.69 0.14 8.97 0.00 0.12 -4.76 105.19 110.25 1pis n GLY 26 Ca -0.15 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.63 1.66 0.86 0.00 4.11 -1.26 -4.91 117.16 113.99 1pis n TYR 28 Ca -0.21 -3.86 0.09 0.00 -0.00 0.00 0.00 57.90 53.92 1pis n TYR 28 Cb 1.09 -0.45 -0.07 0.00 -0.00 0.00 0.00 39.34 39.91 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 1.38 0.35 3.13 0.00 0.00 -1.26 -4.90 105.19 103.88 1pis n GLY 30 Ca 0.05 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 4.11 0.00 0.99 1.43 -1.26 -4.83 118.68 119.12 1pis s LEU 31 Ca 0.00 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.59 1pis s LEU 31 Cb 0.00 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1pis s LEU 31 CO 0.00 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.89 1pis n GLY 32 N 4.54 1.18 2.96 -3.19 0.00 -1.26 -5.03 105.19 104.38 1pis n GLY 32 Ca -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 1.98 3.56 -0.02 0.00 -1.26 -4.94 105.19 104.51 1pis n GLY 33 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 1.79 0.00 1.61 3.41 -1.26 -4.75 113.62 114.42 1pis n SER 34 Ca 0.00 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1pis n SER 34 Cb 0.00 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.33 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 6.65 0.64 0.00 5.00 0.00 -1.26 -5.16 105.19 111.06 1pis n GLY 35 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.48 2.61 5.66 -1.26 -5.14 114.28 115.67 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 0.36 0.00 1.09 -0.02 -1.26 -4.64 135.00 130.53 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 -1.16 0.00 -3.62 -1.45 0.24 -1.18 -4.35 118.33 106.81 1pis n VAL 38 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1pis n VAL 38 Cb 0.00 -0.83 -0.02 0.00 -1.47 0.00 0.00 33.84 31.52 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 -0.40 6.35 0.00 -1.34 2.15 -1.26 -5.03 116.67 117.14 1pis s ASP 39 Ca 0.00 0.39 0.01 0.00 0.43 0.00 0.00 52.55 53.37 1pis s ASP 39 Cb 0.00 -2.00 0.04 0.00 -0.30 0.00 0.00 42.92 40.65 1pis s ASP 39 CO 0.00 -0.13 0.34 -1.84 -0.17 0.00 0.00 175.17 173.37 1pis n GLU 40 N -1.12 0.03 0.12 4.34 0.00 -1.26 -2.22 120.64 120.53 1pis n GLU 40 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.23 1pis n GLU 40 Cb 0.55 -1.29 0.21 0.00 0.00 0.00 0.00 31.44 30.90 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 -1.41 -1.84 5.85 -1.91 -0.02 115.31 115.98 1pis h LEU 41 Ca 0.00 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 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 0.03 -0.25 -0.78 -0.34 0.00 0.00 178.44 177.11 1pis h ASP 42 N 0.00 0.00 0.50 1.25 1.82 -1.77 -3.22 116.42 115.00 1pis h ASP 42 Ca 0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.59 1pis h ASP 42 Cb 0.85 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.85 1pis h ASP 42 CO 0.00 0.25 -0.22 -0.09 -1.61 0.00 0.00 179.24 177.56 1pis h ARG 43 N 0.00 0.00 0.00 0.28 1.12 -1.28 0.15 114.38 114.65 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 0.03 0.22 -0.67 0.00 -3.11 0.00 0.00 179.97 176.44 1pis h GLU 46 N 1.14 -0.34 0.27 0.00 4.57 -0.64 0.13 114.58 119.71 1pis h GLU 46 Ca 0.25 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1pis h GLU 46 Cb 0.26 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1pis h GLU 46 CO -0.01 -0.23 -0.13 1.15 -1.18 0.00 0.00 179.01 178.61 1pis h THR 47 N -0.35 0.76 -0.60 0.32 2.02 -1.53 -1.85 112.91 111.67 1pis h THR 47 Ca 0.12 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 1pis h THR 47 Cb 0.56 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1pis h THR 47 CO -0.44 0.04 0.01 -0.74 0.37 0.00 0.00 175.52 174.76 1pis h HIS 48 N -0.46 1.14 -0.01 3.16 -0.00 -1.48 -1.93 115.15 115.57 1pis h HIS 48 Ca -0.04 -0.19 -0.08 0.00 -0.00 0.00 0.00 60.37 60.07 1pis h HIS 48 Cb 0.34 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1pis h HIS 48 CO -0.03 1.00 -0.35 0.38 -0.00 0.00 0.00 177.93 178.92 1pis h ASP 49 N 0.96 0.02 1.14 3.26 3.04 -1.00 -0.88 116.42 122.95 1pis h ASP 49 Ca 0.17 -0.01 -0.16 0.00 -3.24 0.00 0.00 57.03 53.80 1pis h ASP 49 Cb 0.54 -0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.80 1pis h ASP 49 CO 0.03 0.37 -0.90 -1.13 -2.04 0.00 0.00 179.24 175.57 1pis h ASN 50 N 0.01 0.00 1.29 4.15 -1.24 -1.31 0.10 115.58 118.58 1pis h ASN 50 Ca -0.00 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 1pis h ASN 50 Cb 0.63 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 1pis h ASN 50 CO 0.05 0.67 -0.38 0.00 -1.29 0.00 0.00 177.43 176.48 1pis h TYR 52 N 0.00 0.00 -0.16 0.00 -1.99 -1.19 -2.08 116.97 111.54 1pis h TYR 52 Ca -0.00 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.75 1pis h TYR 52 Cb 1.12 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.82 1pis h TYR 52 CO 0.00 0.51 -0.01 0.00 -0.00 0.00 0.00 178.16 178.65 1pis h ARG 53 N 0.00 0.04 0.00 4.88 2.47 -1.00 -2.13 114.38 118.64 1pis h ARG 53 Ca -0.01 -0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 1pis h ARG 53 Cb 1.13 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.43 1pis h ARG 53 CO 0.07 0.03 -0.33 -0.44 0.56 0.00 0.00 179.97 179.85 1pis h ASP 54 N 0.04 0.00 -0.05 7.04 3.32 -1.55 -3.13 116.42 122.09 1pis h ASP 54 Ca 0.08 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1pis h ASP 54 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1pis h ASP 54 CO -0.14 0.33 -0.28 0.00 -1.72 0.00 0.00 179.24 177.44 1pis h ALA 55 N 1.67 1.07 -0.24 3.45 0.00 -1.28 -3.24 119.26 120.68 1pis h ALA 55 Ca -0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1pis h ALA 55 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1pis h ALA 55 CO 0.04 0.57 -0.17 1.57 0.00 0.00 0.00 179.25 181.26 1pis h LYS 56 N 0.43 0.42 0.00 0.00 2.10 -1.33 -3.29 116.57 114.89 1pis h LYS 56 Ca 0.06 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1pis h LYS 56 Cb 0.70 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1pis h LYS 56 CO 0.05 0.59 0.00 -1.71 -2.00 0.00 0.00 179.45 176.38 1pis n ASN 57 N -4.18 0.09 -4.62 7.07 2.85 -1.20 -4.69 115.26 110.56 1pis n ASN 57 Ca -0.00 0.52 -0.43 0.00 -0.11 0.00 0.00 54.58 54.56 1pis n ASN 57 Cb 0.34 -0.54 -0.02 0.00 1.24 0.00 0.00 39.78 40.80 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 -3.19 3.80 0.29 1.20 2.96 -1.24 -4.98 118.68 117.52 1pis s LEU 58 Ca 0.07 1.02 0.04 0.00 -0.22 0.00 0.00 54.13 55.04 1pis s LEU 58 Cb 0.10 -3.54 0.68 0.00 0.50 0.00 0.00 46.19 43.93 1pis s LEU 58 CO 0.29 -1.14 1.76 -2.24 -1.32 0.00 0.00 176.35 173.71 1pis h ASP 59 N 9.36 0.67 0.18 3.68 2.03 -1.94 -2.81 116.42 127.59 1pis h ASP 59 Ca -0.25 0.10 -0.01 0.00 -0.73 0.00 0.00 57.03 56.14 1pis h ASP 59 Cb 1.09 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1pis h ASP 59 CO 1.06 0.23 -0.09 0.28 -1.03 0.00 0.00 179.24 179.68 1pis h SER 60 N 0.68 -0.21 -3.17 4.15 0.02 -1.95 -3.39 113.55 109.68 1pis h SER 60 Ca 0.55 -0.06 -0.58 0.00 -0.84 0.00 0.00 61.79 60.85 1pis h SER 60 Cb 0.85 0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.05 1pis h SER 60 CO -0.39 -0.07 -0.76 0.00 -1.14 0.00 0.00 176.83 174.47 1pis s LYS 62 N 1.57 4.36 0.00 0.00 -0.14 -1.07 -4.66 119.74 119.81 1pis s LYS 62 Ca 0.10 1.05 0.00 0.00 -1.36 0.00 0.00 55.97 55.76 1pis s LYS 62 Cb -0.17 -3.53 0.00 0.00 -1.68 0.00 0.00 37.83 32.44 1pis s LYS 62 CO -0.24 -0.21 0.00 1.19 -0.76 0.00 0.00 175.35 175.33 1pis n PHE 63 N 4.74 0.00 -3.90 3.18 3.72 -1.26 -4.94 117.46 119.00 1pis n PHE 63 Ca 0.03 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 1pis n PHE 63 Cb 0.50 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.91 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 4.61 -0.24 4.37 1.02 -1.26 -4.94 118.68 122.25 1pis s LEU 64 Ca 0.00 -2.84 -0.28 0.00 0.02 0.00 0.00 54.13 51.02 1pis s LEU 64 Cb 0.00 -1.70 -0.05 0.00 0.02 0.00 0.00 46.19 44.46 1pis s LEU 64 CO 0.00 -0.29 2.24 0.52 0.02 0.00 0.00 176.35 178.84 1pis n VAL 65 N 3.38 0.31 -0.42 -1.59 0.31 -1.26 -4.94 118.33 114.12 1pis n VAL 65 Ca 0.05 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1pis n VAL 65 Cb 0.35 -2.54 0.00 0.00 -0.91 0.00 0.00 33.84 30.74 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 11.89 0.00 -3.20 4.52 2.03 -1.26 -5.09 116.55 125.44 1pis n ASP 66 Ca 0.31 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.48 1pis n ASP 66 Cb 0.44 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.79 1pis n ASP 66 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1pis s ASN 67 N 0.82 0.27 -0.67 1.67 0.01 -1.26 -4.72 114.94 111.07 1pis s ASN 67 Ca 0.00 -1.92 -0.22 0.00 -0.71 0.00 0.00 52.86 50.01 1pis s ASN 67 Cb 0.00 0.81 0.08 0.00 0.41 0.00 0.00 41.25 42.55 1pis s ASN 67 CO 0.00 -0.17 0.94 -2.16 -1.51 0.00 0.00 177.10 174.20 1pis s PRO 68 N 0.98 3.13 0.00 -0.60 0.04 -1.26 -4.97 135.00 132.31 1pis s PRO 68 Ca 0.24 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.34 1pis s PRO 68 Cb -0.06 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1pis s PRO 68 CO -0.08 -1.78 0.00 0.66 0.04 0.00 0.00 177.00 175.84 1pis n TYR 69 N 7.49 0.00 1.24 0.56 4.01 -1.26 -4.88 117.16 124.32 1pis n TYR 69 Ca -0.03 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.84 1pis n TYR 69 Cb 0.45 0.00 0.40 0.00 -0.31 0.00 0.00 39.34 39.89 1pis n TYR 69 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1pis n THR 70 N 0.00 0.00 -1.93 -0.72 -2.24 -1.26 -4.13 114.28 104.00 1pis n THR 70 Ca 0.00 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 1pis n THR 70 Cb 0.00 0.30 -0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1pis n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pis n GLU 71 N -0.78 3.60 0.01 -0.78 1.02 -1.26 -3.89 120.64 118.55 1pis n GLU 71 Ca 0.12 -3.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.22 1pis n GLU 71 Cb 0.34 -2.95 0.00 0.00 -0.02 0.00 0.00 31.44 28.80 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 4.06 -0.12 -4.24 1.62 2.88 -1.26 -4.99 113.62 111.57 1pis n SER 72 Ca 0.54 0.10 -0.14 0.00 -1.33 0.00 0.00 58.87 58.04 1pis n SER 72 Cb 0.33 0.24 -0.10 0.00 -0.75 0.00 0.00 64.21 63.93 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 -2.00 1.21 0.00 0.66 -0.85 -1.25 -4.80 117.35 110.32 1pis s TYR 73 Ca 0.00 -0.89 0.00 0.00 -0.52 0.00 0.00 57.07 55.66 1pis s TYR 73 Cb 0.00 -0.67 0.00 0.00 0.38 0.00 0.00 41.96 41.67 1pis s TYR 73 CO 0.00 -0.07 0.00 0.45 -1.52 0.00 0.00 175.55 174.41 1pis n SER 74 N -0.21 0.45 -2.42 -0.18 2.88 -1.26 -4.88 113.62 107.99 1pis n SER 74 Ca -0.09 -0.77 -0.11 0.00 -1.33 0.00 0.00 58.87 56.58 1pis n SER 74 Cb 0.62 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.98 -4.39 0.66 4.11 -1.26 -2.24 117.16 113.06 1pis n TYR 75 Ca 0.00 -1.71 -0.20 0.00 -0.00 0.00 0.00 57.90 56.00 1pis n TYR 75 Cb 0.00 0.33 -0.10 0.00 -0.00 0.00 0.00 39.34 39.57 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 -2.53 2.48 0.17 9.48 0.01 -1.22 -4.69 113.70 117.40 1pis s SER 76 Ca 0.22 -1.18 -0.08 0.00 1.31 0.00 0.00 55.95 56.22 1pis s SER 76 Cb -0.00 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 1pis s SER 76 CO 0.16 -0.37 0.26 0.00 0.41 0.00 0.00 173.24 173.70 1pis n SER 78 N -0.21 0.00 0.00 0.00 7.64 -1.16 -4.84 113.62 115.05 1pis n SER 78 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1pis n SER 78 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 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 -0.06 6.43 5.15 -1.26 -4.79 115.26 120.73 1pis n ASN 79 Ca 0.00 0.08 -0.22 0.00 -0.60 0.00 0.00 54.58 53.84 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 -0.23 1.64 -2.46 -0.44 -2.24 -1.26 -4.79 114.28 104.51 1pis n THR 80 Ca 0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1pis n THR 80 Cb 0.00 -1.87 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 -3.95 -0.51 -3.39 -0.78 4.07 -1.26 -4.18 120.64 110.64 1pis n GLU 81 Ca -0.34 -0.25 -0.38 0.00 -0.06 0.00 0.00 57.16 56.13 1pis n GLU 81 Cb 0.87 0.45 -0.06 0.00 -0.06 0.00 0.00 31.44 32.64 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 -2.92 5.08 0.00 6.31 1.01 -1.26 -2.98 121.20 126.44 1pis s ILE 82 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.58 1pis s ILE 82 Cb 0.00 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1pis s ILE 82 CO 0.00 0.45 0.00 1.07 0.00 0.00 0.00 174.94 176.46 1pis n THR 83 N 2.74 0.00 -3.59 2.92 5.66 -1.19 -4.81 114.28 115.99 1pis n THR 83 Ca -0.10 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.84 1pis n THR 83 Cb 0.52 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.32 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 -2.53 5.73 0.41 0.00 3.04 -0.95 -3.40 114.94 117.25 1pis s ASN 85 Ca 0.12 0.08 0.29 0.00 0.04 0.00 0.00 52.86 53.39 1pis s ASN 85 Cb -0.03 -2.54 1.25 0.00 -1.54 0.00 0.00 41.25 38.38 1pis s ASN 85 CO 0.08 -2.07 1.86 -1.28 -3.04 0.00 0.00 177.10 172.66 1pis h SER 86 N 12.57 0.00 0.00 -4.21 0.87 -1.93 -2.28 113.55 118.57 1pis h SER 86 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1pis h SER 86 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1pis h SER 86 CO 1.23 0.00 0.00 2.29 -0.53 0.00 0.00 176.83 179.82 1pis n LYS 87 N -2.63 0.02 -2.69 2.24 2.85 -1.26 -4.98 118.16 111.71 1pis n LYS 87 Ca 0.01 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.84 1pis n LYS 87 Cb 0.23 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.10 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 1.52 7.05 -0.03 -5.58 2.20 -0.86 -5.02 114.94 114.21 1pis s ASN 88 Ca 0.00 1.30 -0.02 0.00 -0.94 0.00 0.00 52.86 53.20 1pis s ASN 88 Cb 0.00 -2.52 -0.04 0.00 -2.00 0.00 0.00 41.25 36.69 1pis s ASN 88 CO 0.00 -0.66 0.11 0.21 -2.94 0.00 0.00 177.10 173.82 1pis s ASN 89 N 1.26 5.94 0.19 3.54 3.84 -1.26 -4.80 114.94 123.65 1pis s ASN 89 Ca 0.43 0.26 0.05 0.00 0.21 0.00 0.00 52.86 53.81 1pis s ASN 89 Cb -0.15 -1.79 0.58 0.00 -0.55 0.00 0.00 41.25 39.34 1pis s ASN 89 CO 0.07 0.31 0.91 0.00 -2.79 0.00 0.00 177.10 175.60 1pis n ALA 90 N 1.36 0.41 0.17 1.71 0.00 -1.26 -0.69 120.51 122.22 1pis n ALA 90 Ca -0.14 0.61 -0.13 0.00 0.00 0.00 0.00 53.44 53.77 1pis n ALA 90 Cb 0.53 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.77 0.06 0.12 0.00 4.11 -1.70 -3.41 114.58 113.00 1pis h GLU 92 Ca -0.05 -0.02 -0.33 0.00 0.07 0.00 0.00 59.36 59.04 1pis h GLU 92 Cb 0.51 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1pis h GLU 92 CO 0.08 0.27 -1.73 0.00 0.07 0.00 0.00 179.01 177.70 1pis h ALA 93 N 1.73 0.35 0.11 1.06 0.00 -0.91 -3.02 119.26 118.57 1pis h ALA 93 Ca 0.01 -1.24 -0.01 0.00 0.00 0.00 0.00 54.91 53.68 1pis h ALA 93 Cb 0.41 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1pis h ALA 93 CO 0.03 1.21 -0.05 0.35 0.00 0.00 0.00 179.25 180.79 1pis h PHE 94 N 0.07 -0.13 -0.44 0.00 3.04 -1.75 -1.91 116.94 115.82 1pis h PHE 94 Ca -0.32 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.54 1pis h PHE 94 Cb 2.04 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 40.58 1pis h PHE 94 CO 0.07 0.21 -0.07 0.82 -2.02 0.00 0.00 178.31 177.32 1pis h ILE 95 N -0.49 1.25 0.00 1.41 1.08 -1.79 -2.07 117.51 116.90 1pis h ILE 95 Ca -0.01 -1.09 -0.05 0.00 -0.39 0.00 0.00 64.86 63.32 1pis h ILE 95 Cb 0.40 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1pis h ILE 95 CO 0.02 0.37 -0.24 0.00 -0.69 0.00 0.00 178.15 177.62 1pis h ASN 97 N 0.00 0.29 0.04 0.00 -1.24 -0.96 -1.20 115.58 112.50 1pis h ASN 97 Ca -0.00 -0.15 -0.10 0.00 0.71 0.00 0.00 56.30 56.75 1pis h ASN 97 Cb 0.76 -0.08 0.01 0.00 0.73 0.00 0.00 38.32 39.74 1pis h ASN 97 CO 0.03 0.79 -0.42 0.00 -1.29 0.00 0.00 177.43 176.54 1pis h ASP 99 N -0.50 0.00 0.25 0.00 1.82 -1.54 -1.66 116.42 114.77 1pis h ASP 99 Ca -0.06 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1pis h ASP 99 Cb 1.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1pis h ASP 99 CO 0.08 0.00 -0.12 -0.09 -1.61 0.00 0.00 179.24 177.50 1pis h ARG 100 N 0.00 -0.32 -0.71 0.28 2.43 -1.18 -2.10 114.38 112.78 1pis h ARG 100 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1pis h ARG 100 Cb 0.42 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1pis h ARG 100 CO 0.00 -0.21 0.00 -1.71 -1.51 0.00 0.00 179.97 176.54 1pis n ASN 101 N -2.98 0.71 -0.06 -3.80 2.85 -1.05 -1.02 115.26 109.91 1pis n ASN 101 Ca -0.04 -1.60 -0.04 0.00 -0.11 0.00 0.00 54.58 52.79 1pis n ASN 101 Cb 0.13 -0.35 -0.01 0.00 1.24 0.00 0.00 39.78 40.78 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 0.37 0.10 5.20 0.00 -0.65 -4.15 120.51 121.41 1pis n ALA 102 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 52.94 1pis n ALA 102 Cb 0.18 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.18 -0.22 -0.23 0.00 0.00 -0.35 -2.44 119.26 114.84 1pis h ALA 103 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1pis h ALA 103 Cb 0.42 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1pis h ALA 103 CO 0.00 -0.53 -0.11 0.82 0.00 0.00 0.00 179.25 179.43 1pis h ILE 104 N -0.40 0.65 0.00 0.00 2.04 -1.43 -3.33 117.51 115.04 1pis h ILE 104 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1pis h ILE 104 Cb 0.31 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1pis h ILE 104 CO 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 178.15 177.94 1pis h PHE 106 N 0.00 0.00 0.00 0.00 0.04 -1.54 0.30 116.94 115.74 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 0.46 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.58 1pis h PHE 106 CO 0.00 0.02 -1.35 1.03 -0.60 0.00 0.00 178.31 177.42 1pis h SER 107 N 0.00 0.00 0.06 2.17 0.87 -1.46 -3.41 113.55 111.78 1pis h SER 107 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1pis h SER 107 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1pis h SER 107 CO 0.00 0.81 -0.03 0.11 -0.53 0.00 0.00 176.83 177.20 1pis h LYS 108 N 0.00 -0.08 -7.16 2.24 1.57 -0.43 -3.47 116.57 109.24 1pis h LYS 108 Ca -0.16 0.01 -0.51 0.00 -1.87 0.00 0.00 60.65 58.12 1pis h LYS 108 Cb 1.76 0.02 0.09 0.00 0.08 0.00 0.00 32.23 34.18 1pis h LYS 108 CO 0.08 0.48 0.39 0.00 -0.57 0.00 0.00 179.45 179.83 1pis s ALA 109 N -3.68 2.55 0.00 3.86 0.00 0.02 -5.08 121.76 119.42 1pis s ALA 109 Ca -0.15 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1pis s ALA 109 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1pis s ALA 109 CO 0.61 -1.11 0.00 -2.30 0.00 0.00 0.00 175.76 172.96 1pis n PRO 110 N -2.06 2.03 -3.60 0.00 -0.02 -1.26 -4.91 135.00 125.19 1pis n PRO 110 Ca 0.11 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.46 1pis n PRO 110 Cb 0.52 0.00 -0.06 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 -0.60 -0.20 6.00 5.04 -1.26 -4.44 117.35 121.89 1pis s TYR 111 Ca 0.00 1.32 0.01 0.00 -2.44 0.00 0.00 57.07 55.97 1pis s TYR 111 Cb 0.00 0.36 0.03 0.00 0.35 0.00 0.00 41.96 42.70 1pis s TYR 111 CO 0.00 -0.38 -0.17 -0.80 -1.34 0.00 0.00 175.55 172.86 1pis s ASN 112 N -0.25 3.45 0.00 4.32 -0.87 -1.26 -5.04 114.94 115.28 1pis s ASN 112 Ca -0.02 -0.84 -0.00 0.00 -1.57 0.00 0.00 52.86 50.43 1pis s ASN 112 Cb -0.03 -1.48 -0.00 0.00 -0.02 0.00 0.00 41.25 39.72 1pis s ASN 112 CO 0.01 -0.05 1.36 2.29 -2.57 0.00 0.00 177.10 178.14 1pis n LYS 113 N 4.58 0.68 0.09 -0.60 2.85 -1.26 -3.70 118.16 120.80 1pis n LYS 113 Ca -0.19 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 1pis n LYS 113 Cb 0.48 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.69 1pis n LYS 113 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1pis n GLU 114 N 1.68 0.00 0.00 -1.58 -0.58 -1.26 -4.53 120.64 114.36 1pis n GLU 114 Ca 0.00 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.81 1pis n GLU 114 Cb 0.34 0.00 0.35 0.00 -0.57 0.00 0.00 31.44 31.56 1pis n GLU 114 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1pis n HIS 115 N -3.03 0.00 0.10 -0.32 8.25 -1.26 -4.32 115.22 114.64 1pis n HIS 115 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1pis n HIS 115 Cb 0.00 -0.30 0.07 0.00 1.12 0.00 0.00 29.99 30.88 1pis n HIS 115 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1pis n LYS 116 N -1.30 0.00 -3.24 -0.41 4.81 -1.24 -0.70 118.16 116.08 1pis n LYS 116 Ca 0.06 0.46 -0.03 0.00 -0.87 0.00 0.00 58.31 57.93 1pis n LYS 116 Cb 0.12 -1.51 -0.02 0.00 0.02 0.00 0.00 35.03 33.63 1pis n LYS 116 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1pis s ASN 117 N -3.03 -0.92 0.67 3.14 2.47 -1.21 -4.27 114.94 111.79 1pis s ASN 117 Ca 0.01 -0.84 -0.06 0.00 0.42 0.00 0.00 52.86 52.39 1pis s ASN 117 Cb 0.02 1.65 0.04 0.00 -1.45 0.00 0.00 41.25 41.52 1pis s ASN 117 CO 0.06 -0.21 0.98 -0.22 -3.72 0.00 0.00 177.10 173.99 1pis s LEU 118 N 1.88 2.94 0.06 3.21 2.96 -1.09 -5.03 118.68 123.61 1pis s LEU 118 Ca 0.15 0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 54.48 1pis s LEU 118 Cb -0.07 -3.25 -0.28 0.00 0.50 0.00 0.00 46.19 43.09 1pis s LEU 118 CO -0.09 -1.44 1.11 0.44 -1.32 0.00 0.00 176.35 175.05 1pis h ASP 119 N -0.47 0.77 0.00 3.68 3.32 -1.87 -3.50 116.42 118.34 1pis h ASP 119 Ca -0.45 -0.74 0.00 0.00 0.02 0.00 0.00 57.03 55.87 1pis h ASP 119 Cb 1.30 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1pis h ASP 119 CO 0.60 1.56 0.41 1.07 -1.72 0.00 0.00 179.24 181.16 1pis n THR 120 N -3.73 0.00 -0.51 0.35 5.66 -1.26 -4.61 114.28 110.19 1pis n THR 120 Ca -0.13 -0.41 -0.10 0.00 -3.05 0.00 0.00 64.05 60.36 1pis n THR 120 Cb 1.01 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.96 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 3.13 2.45 0.02 1.09 -0.00 -1.26 -4.78 118.16 118.81 1pis n LYS 121 Ca 0.00 -2.16 0.00 0.00 -0.00 0.00 0.00 58.31 56.15 1pis n LYS 121 Cb 0.21 -1.90 0.00 0.00 -0.00 0.00 0.00 35.03 33.34 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 -0.33 0.00 -0.85 -1.58 4.01 -1.26 -4.96 118.16 113.18 1pis n LYS 122 Ca 0.36 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 58.20 1pis n LYS 122 Cb 1.21 -0.01 0.35 0.00 -0.51 0.00 0.00 35.03 36.07 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 -2.66 1.96 -0.90 2.13 4.01 -1.26 -5.12 117.16 115.32 1pis n TYR 123 Ca 0.00 -0.89 0.00 0.00 -0.16 0.00 0.00 57.90 56.85 1pis n TYR 123 Cb 0.00 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 38.51 1pis n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40