#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 -0.07 0.00 4.77 -1.26 -4.80 117.00 115.64 1pis n LEU 2 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 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 -0.93 -2.67 -1.33 0.00 0.00 177.39 172.46 1pis n TRP 3 N -0.48 0.00 0.30 -1.77 4.27 -1.26 -4.30 117.44 114.20 1pis n TRP 3 Ca 0.00 0.00 0.19 0.00 -3.89 0.00 0.00 57.50 53.80 1pis n TRP 3 Cb 0.00 -0.55 0.90 0.00 -1.36 0.00 0.00 31.31 30.30 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 -0.88 -2.67 5.75 -1.87 -1.16 115.11 114.28 1pis h GLN 4 Ca -0.31 0.00 0.19 0.00 -0.15 0.00 0.00 58.65 58.38 1pis h GLN 4 Cb 1.55 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.99 1pis h GLN 4 CO -0.03 0.00 0.42 0.35 -2.65 0.00 0.00 178.83 176.92 1pis h PHE 5 N 0.00 0.72 0.00 3.99 3.57 -1.95 0.09 116.94 123.36 1pis h PHE 5 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1pis h PHE 5 Cb 0.30 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1pis h PHE 5 CO 0.00 0.05 0.00 0.00 -2.23 0.00 0.00 178.31 176.13 1pis h ARG 6 N 0.50 0.00 -0.34 1.11 -0.00 -1.39 -1.70 114.38 112.55 1pis h ARG 6 Ca 0.53 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.89 1pis h ARG 6 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.87 1pis h ARG 6 CO -0.46 0.00 -0.24 0.77 0.00 0.00 0.00 179.97 180.04 1pis h SER 7 N 0.00 0.80 0.33 7.04 0.02 -1.50 -3.40 113.55 116.85 1pis h SER 7 Ca 0.00 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1pis h SER 7 Cb 0.51 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1pis h SER 7 CO 0.00 1.07 -0.32 -0.03 -1.14 0.00 0.00 176.83 176.41 1pis h MET 8 N 0.54 -0.62 0.00 3.45 -1.53 -0.17 -3.27 114.93 113.33 1pis h MET 8 Ca 0.07 0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.36 1pis h MET 8 Cb 0.80 0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 32.00 1pis h MET 8 CO 0.07 -0.42 -0.02 0.82 0.14 0.00 0.00 176.91 177.50 1pis h ILE 9 N -0.65 0.13 0.74 1.77 2.04 -1.58 -2.53 117.51 117.45 1pis h ILE 9 Ca -0.04 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1pis h ILE 9 Cb 0.56 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1pis h ILE 9 CO -0.03 0.02 -0.43 0.11 0.00 0.00 0.00 178.15 177.83 1pis h LYS 10 N 0.00 -1.05 -0.80 2.37 1.79 -1.77 -2.61 116.57 114.50 1pis h LYS 10 Ca -0.00 0.07 0.09 0.00 -2.18 0.00 0.00 60.65 58.63 1pis h LYS 10 Cb 0.22 0.24 -0.11 0.00 -1.58 0.00 0.00 32.23 31.00 1pis h LYS 10 CO 0.00 -0.70 -0.42 0.00 -1.08 0.00 0.00 179.45 177.25 1pis n ALA 12 N -3.46 2.57 -3.86 0.00 0.00 -1.19 -4.66 120.51 109.92 1pis n ALA 12 Ca 0.04 -0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 1pis n ALA 12 Cb 0.24 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.24 1.43 -1.55 0.00 5.41 -0.99 -4.54 119.36 117.88 1pis n ILE 13 Ca 0.13 -4.77 -0.34 0.00 1.00 0.00 0.00 62.75 58.77 1pis n ILE 13 Cb 0.27 -2.15 -0.04 0.00 -0.71 0.00 0.00 39.64 37.01 1pis n ILE 13 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1pis n PRO 14 N 2.01 0.94 0.00 0.38 -0.02 -1.26 -3.97 135.00 133.08 1pis n PRO 14 Ca 0.21 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1pis n PRO 14 Cb 0.36 -3.36 0.00 0.00 -0.02 0.00 0.00 33.50 30.48 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 6.10 2.27 3.76 -1.23 0.00 -1.26 -5.09 105.19 109.74 1pis n GLY 15 Ca 0.40 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 5.80 -0.16 1.61 0.01 -1.25 -5.03 113.70 110.68 1pis s SER 16 Ca 0.00 2.51 -0.22 0.00 1.31 0.00 0.00 55.95 59.55 1pis s SER 16 Cb 0.00 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1pis s SER 16 CO 0.00 -1.19 0.66 -1.00 0.41 0.00 0.00 173.24 172.13 1pis s HIS 17 N -1.43 3.44 0.33 2.43 3.76 -1.26 -4.83 115.29 117.72 1pis s HIS 17 Ca 0.67 1.05 0.00 0.00 -0.15 0.00 0.00 55.06 56.63 1pis s HIS 17 Cb -0.34 -2.81 0.00 0.00 1.11 0.00 0.00 32.58 30.54 1pis s HIS 17 CO 0.41 -0.09 0.00 -2.30 -0.85 0.00 0.00 174.74 171.90 1pis n PRO 18 N 4.66 1.47 0.00 8.40 -0.02 -1.26 -3.84 135.00 144.41 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 0.50 -0.66 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 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 -0.05 2.45 7.99 -1.26 -1.12 117.00 125.00 1pis n LEU 19 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.90 1pis n LEU 19 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 1pis n LEU 19 CO 0.00 0.00 0.96 0.24 -1.51 0.00 0.00 177.39 177.08 1pis h MET 20 N 0.00 0.29 0.05 3.23 2.86 -1.91 -0.87 114.93 118.57 1pis h MET 20 Ca 0.00 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1pis h MET 20 Cb 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1pis h MET 20 CO 0.00 0.19 -0.54 -0.44 1.06 0.00 0.00 176.91 177.18 1pis h ASP 21 N 0.29 0.16 0.00 1.22 5.19 -1.46 -3.42 116.42 118.40 1pis h ASP 21 Ca 0.08 -0.90 0.00 0.00 -0.62 0.00 0.00 57.03 55.59 1pis h ASP 21 Cb -0.03 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1pis h ASP 21 CO -0.02 1.24 0.00 0.49 -3.12 0.00 0.00 179.24 177.83 1pis n PHE 22 N -4.39 0.00 -4.17 4.55 3.72 -0.28 -4.67 117.46 112.22 1pis n PHE 22 Ca -0.16 -0.07 -0.23 0.00 -0.05 0.00 0.00 57.45 56.94 1pis n PHE 22 Cb 0.64 -0.11 -0.17 0.00 -0.94 0.00 0.00 39.48 38.91 1pis n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1pis s ASN 23 N 0.03 1.55 -0.53 4.37 2.47 -0.34 -4.55 114.94 117.94 1pis s ASN 23 Ca 0.00 -0.21 -0.01 0.00 0.42 0.00 0.00 52.86 53.06 1pis s ASN 23 Cb 0.00 -0.65 0.00 0.00 -1.45 0.00 0.00 41.25 39.15 1pis s ASN 23 CO 0.00 -0.06 0.45 0.59 -3.72 0.00 0.00 177.10 174.36 1pis n ASN 24 N 4.33 -2.35 -3.98 -4.21 3.02 -1.26 -4.92 115.26 105.89 1pis n ASN 24 Ca -0.19 -0.26 -0.20 0.00 -0.03 0.00 0.00 54.58 53.89 1pis n ASN 24 Cb 0.51 -2.50 -0.16 0.00 -0.61 0.00 0.00 39.78 37.02 1pis n ASN 24 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1pis s TYR 25 N -3.15 0.91 0.20 3.10 1.13 -1.26 -3.57 117.35 114.70 1pis s TYR 25 Ca 0.04 -0.24 0.00 0.00 -1.41 0.00 0.00 57.07 55.47 1pis s TYR 25 Cb -0.02 -0.68 0.00 0.00 -1.10 0.00 0.00 41.96 40.16 1pis s TYR 25 CO 0.32 -0.12 0.00 0.41 -2.51 0.00 0.00 175.55 173.64 1pis n GLY 26 N 3.46 -1.96 0.13 5.49 0.00 -0.17 -4.61 105.19 107.54 1pis n GLY 26 Ca -0.20 -1.33 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.60 2.14 -3.69 0.00 4.11 -1.26 -4.99 117.16 109.88 1pis n TYR 28 Ca -0.17 -3.91 -0.35 0.00 -0.00 0.00 0.00 57.90 53.47 1pis n TYR 28 Cb 1.07 -0.46 -0.08 0.00 -0.00 0.00 0.00 39.34 39.87 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 2.60 2.53 3.24 0.00 0.00 -1.26 -5.02 105.19 107.28 1pis n GLY 30 Ca 0.17 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 4.13 0.00 0.99 2.01 -1.26 -4.78 118.68 119.77 1pis s LEU 31 Ca 0.00 -1.16 0.00 0.00 0.01 0.00 0.00 54.13 52.98 1pis s LEU 31 Cb 0.00 -1.81 0.00 0.00 0.01 0.00 0.00 46.19 44.39 1pis s LEU 31 CO 0.00 -0.29 0.00 0.61 1.01 0.00 0.00 176.35 177.68 1pis n GLY 32 N 4.75 1.07 3.09 -3.19 0.00 -1.26 -4.99 105.19 104.65 1pis n GLY 32 Ca -0.13 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 1.29 3.56 -0.02 0.00 -1.26 -4.93 105.19 103.82 1pis n GLY 33 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.11 4.20 0.00 1.61 1.04 -1.26 -4.73 113.70 111.45 1pis s SER 34 Ca 0.00 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1pis s SER 34 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1pis s SER 34 CO 0.00 -3.46 0.00 0.61 0.98 0.00 0.00 173.24 171.37 1pis n GLY 35 N 6.58 0.87 0.00 7.32 0.00 -1.26 -5.16 105.19 113.53 1pis n GLY 35 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.36 2.61 5.66 -1.26 -5.13 114.28 115.81 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 0.63 0.00 1.09 -0.02 -1.26 -4.64 135.00 130.80 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 -0.73 0.00 -3.30 -1.45 0.24 -1.16 -4.25 118.33 107.68 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 -0.64 -0.00 0.00 -1.47 0.00 0.00 33.84 31.73 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 -0.44 6.00 0.00 -1.34 1.01 -1.26 -5.01 116.67 115.63 1pis s ASP 39 Ca 0.00 0.14 0.03 0.00 0.71 0.00 0.00 52.55 53.43 1pis s ASP 39 Cb 0.00 -1.55 0.18 0.00 1.01 0.00 0.00 42.92 42.56 1pis s ASP 39 CO 0.00 -0.49 0.51 -1.84 0.21 0.00 0.00 175.17 173.56 1pis n GLU 40 N -1.83 0.19 -0.01 8.23 0.00 -1.26 -2.67 120.64 123.28 1pis n GLU 40 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.28 1pis n GLU 40 Cb 0.57 -1.26 0.49 0.00 0.00 0.00 0.00 31.44 31.25 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 -0.76 1.58 0.06 -1.84 7.94 -1.07 -1.19 117.00 121.73 1pis n LEU 41 Ca 0.02 -0.55 -0.13 0.00 -1.11 0.00 0.00 56.01 54.25 1pis n LEU 41 Cb 0.01 -0.01 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1pis n LEU 41 CO 0.02 0.27 0.22 -0.78 -1.11 0.00 0.00 177.39 176.01 1pis h ASP 42 N 2.43 0.52 -0.32 1.96 1.82 -1.76 -3.40 116.42 117.67 1pis h ASP 42 Ca 0.00 -0.40 0.08 0.00 -0.39 0.00 0.00 57.03 56.32 1pis h ASP 42 Cb 0.52 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1pis h ASP 42 CO 0.00 1.19 0.22 -0.09 -1.61 0.00 0.00 179.24 178.95 1pis h ARG 43 N 0.24 0.08 -0.28 0.28 1.12 -1.36 -0.34 114.38 114.12 1pis h ARG 43 Ca -0.07 -0.00 -0.11 0.00 -1.11 0.00 0.00 59.98 58.69 1pis h ARG 43 Cb 1.52 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.45 1pis h ARG 43 CO 0.16 0.05 -0.29 0.00 -3.11 0.00 0.00 179.97 176.78 1pis h GLU 46 N 0.00 0.38 -0.00 0.00 -0.00 -0.85 -2.74 114.58 111.38 1pis h GLU 46 Ca -0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.36 59.30 1pis h GLU 46 Cb 0.54 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.20 1pis h GLU 46 CO 0.04 0.25 -0.12 1.15 -0.00 0.00 0.00 179.01 180.33 1pis h THR 47 N 0.40 1.57 0.00 -1.06 2.02 -1.59 -3.29 112.91 110.96 1pis h THR 47 Ca 0.25 -1.85 -0.02 0.00 0.77 0.00 0.00 66.41 65.56 1pis h THR 47 Cb 0.26 2.77 -0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1pis h THR 47 CO -0.24 0.49 -0.11 -0.74 0.37 0.00 0.00 175.52 175.29 1pis h HIS 48 N -0.62 0.00 -0.28 3.16 -0.00 -1.58 -1.30 115.15 114.53 1pis h HIS 48 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.26 1pis h HIS 48 Cb 0.87 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.28 1pis h HIS 48 CO 0.18 0.11 -0.20 0.38 -0.00 0.00 0.00 177.93 178.41 1pis h ASP 49 N 0.00 0.66 0.95 3.26 2.03 -1.63 -2.60 116.42 119.10 1pis h ASP 49 Ca -0.00 -0.44 -0.13 0.00 -0.73 0.00 0.00 57.03 55.73 1pis h ASP 49 Cb 0.26 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 38.55 1pis h ASP 49 CO 0.01 0.96 -0.62 -1.13 -1.03 0.00 0.00 179.24 177.44 1pis h ASN 50 N 0.37 0.00 0.50 4.15 -1.24 -1.58 -0.17 115.58 117.62 1pis h ASN 50 Ca 0.05 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.93 1pis h ASN 50 Cb 0.74 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 1pis h ASN 50 CO 0.05 0.62 -0.61 0.00 -1.29 0.00 0.00 177.43 176.21 1pis h TYR 52 N 0.08 0.45 -0.02 0.00 -1.99 -1.39 -1.90 116.97 112.20 1pis h TYR 52 Ca -0.01 -0.08 0.02 0.00 2.00 0.00 0.00 58.73 60.66 1pis h TYR 52 Cb 1.09 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 39.68 1pis h TYR 52 CO 0.01 0.60 -0.12 0.00 -0.00 0.00 0.00 178.16 178.65 1pis h ARG 53 N 0.37 -0.19 0.00 4.88 2.47 -1.02 -1.73 114.38 119.17 1pis h ARG 53 Ca 0.06 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1pis h ARG 53 Cb 0.59 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 1pis h ARG 53 CO 0.04 -0.12 -0.21 -0.44 0.56 0.00 0.00 179.97 179.80 1pis h ASP 54 N -0.19 0.00 0.59 7.04 3.32 -1.51 -3.05 116.42 122.61 1pis h ASP 54 Ca 0.05 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.92 1pis h ASP 54 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1pis h ASP 54 CO -0.13 0.21 -0.80 0.00 -1.72 0.00 0.00 179.24 176.80 1pis h ALA 55 N 1.79 0.64 -0.24 3.45 0.00 -1.19 -3.26 119.26 120.46 1pis h ALA 55 Ca -0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 1pis h ALA 55 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1pis h ALA 55 CO 0.03 0.89 -0.34 1.57 0.00 0.00 0.00 179.25 181.40 1pis h LYS 56 N 0.09 0.52 0.00 0.00 2.10 -1.30 -3.31 116.57 114.67 1pis h LYS 56 Ca -0.03 -0.24 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1pis h LYS 56 Cb 1.39 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 1pis h LYS 56 CO 0.12 0.80 0.00 -1.71 -2.00 0.00 0.00 179.45 176.65 1pis n ASN 57 N -4.06 0.00 -4.65 7.07 5.15 -1.16 -4.74 115.26 112.86 1pis n ASN 57 Ca -0.01 -0.89 -0.43 0.00 -0.60 0.00 0.00 54.58 52.65 1pis n ASN 57 Cb 0.47 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.70 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 -1.78 4.08 0.24 1.20 2.96 -1.23 -4.98 118.68 119.17 1pis s LEU 58 Ca 0.27 1.29 -0.06 0.00 -0.22 0.00 0.00 54.13 55.41 1pis s LEU 58 Cb 0.13 -3.49 0.44 0.00 0.50 0.00 0.00 46.19 43.77 1pis s LEU 58 CO 0.21 -0.67 1.68 -0.78 -1.32 0.00 0.00 176.35 175.47 1pis h ASP 59 N 7.56 -0.06 -0.81 3.68 3.58 -1.94 -2.62 116.42 125.81 1pis h ASP 59 Ca -0.20 0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.46 1pis h ASP 59 Cb 1.06 0.22 -0.05 0.00 1.72 0.00 0.00 39.33 42.29 1pis h ASP 59 CO 0.97 -0.06 0.53 0.28 -2.88 0.00 0.00 179.24 178.08 1pis h SER 60 N 0.23 0.80 -2.43 2.28 0.02 -1.97 -3.39 113.55 109.10 1pis h SER 60 Ca 0.40 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.90 1pis h SER 60 Cb 0.69 -0.17 -0.36 0.00 0.14 0.00 0.00 62.40 62.69 1pis h SER 60 CO -0.53 0.53 -0.74 0.00 -1.14 0.00 0.00 176.83 174.95 1pis s LYS 62 N 1.87 3.93 0.00 0.00 -0.14 -1.16 -4.48 119.74 119.77 1pis s LYS 62 Ca 0.12 0.42 0.00 0.00 -1.36 0.00 0.00 55.97 55.15 1pis s LYS 62 Cb -0.17 -3.10 0.00 0.00 -1.68 0.00 0.00 37.83 32.88 1pis s LYS 62 CO -0.23 0.60 1.14 1.19 -0.76 0.00 0.00 175.35 177.29 1pis n PHE 63 N 1.34 0.00 0.31 3.18 3.01 -1.26 -1.39 117.46 122.64 1pis n PHE 63 Ca -0.10 -0.57 0.17 0.00 1.01 0.00 0.00 57.45 57.96 1pis n PHE 63 Cb 0.52 -0.31 0.73 0.00 -0.01 0.00 0.00 39.48 40.41 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 1.82 0.00 -0.97 4.37 4.07 -2.00 -3.32 115.31 119.28 1pis h LEU 64 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1pis h LEU 64 Cb 0.85 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.57 1pis h LEU 64 CO 0.00 0.00 -0.03 -0.37 -1.08 0.00 0.00 178.44 176.96 1pis h VAL 65 N 0.00 1.24 -5.68 1.22 -1.51 -1.57 -3.49 116.25 106.46 1pis h VAL 65 Ca 0.00 -1.00 -0.12 0.00 -1.23 0.00 0.00 66.70 64.36 1pis h VAL 65 Cb 0.37 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1pis h VAL 65 CO 0.00 0.35 -0.49 -0.90 -1.23 0.00 0.00 177.57 175.30 1pis n ASP 66 N -4.22 -7.17 -2.91 4.19 5.75 -1.25 -5.05 116.55 105.90 1pis n ASP 66 Ca 0.02 0.02 -0.06 0.00 -0.01 0.00 0.00 54.79 54.75 1pis n ASP 66 Cb 0.30 -4.38 -0.01 0.00 -1.03 0.00 0.00 41.12 36.00 1pis n ASP 66 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pis s ASN 67 N -2.66 -1.07 -0.09 -1.12 2.20 -1.26 -5.10 114.94 105.85 1pis s ASN 67 Ca 0.14 -1.75 -0.13 0.00 -0.94 0.00 0.00 52.86 50.18 1pis s ASN 67 Cb -0.03 1.61 -0.10 0.00 -2.00 0.00 0.00 41.25 40.73 1pis s ASN 67 CO 0.79 -0.09 0.46 1.55 -2.94 0.00 0.00 177.10 176.88 1pis h PRO 68 N 5.40 -0.13 0.00 3.55 0.13 -1.96 -3.49 132.00 135.50 1pis h PRO 68 Ca 0.08 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1pis h PRO 68 Cb 1.10 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1pis h PRO 68 CO 0.07 0.19 0.00 0.66 -0.23 0.00 0.00 178.00 178.69 1pis n TYR 69 N -4.84 0.00 1.14 1.56 4.01 -1.26 -4.87 117.16 112.90 1pis n TYR 69 Ca -0.05 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.81 1pis n TYR 69 Cb 0.19 0.00 0.36 0.00 -0.31 0.00 0.00 39.34 39.58 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 0.17 -2.01 -0.72 -2.24 -1.26 -4.54 114.28 103.68 1pis n THR 70 Ca 0.00 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 1pis n THR 70 Cb 0.00 0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.58 3.51 0.00 -0.78 1.02 -1.26 -3.97 120.64 119.74 1pis n GLU 71 Ca 0.17 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 1pis n GLU 71 Cb 0.41 -2.99 0.00 0.00 -0.02 0.00 0.00 31.44 28.84 1pis n GLU 71 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1pis n SER 72 N 4.27 -0.04 -4.62 1.62 3.41 -1.26 -4.91 113.62 112.08 1pis n SER 72 Ca 0.50 0.35 -0.24 0.00 -0.26 0.00 0.00 58.87 59.22 1pis n SER 72 Cb 0.34 0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 64.60 1pis n SER 72 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1pis s TYR 73 N -2.00 2.57 0.08 7.33 -0.85 -1.25 -4.95 117.35 118.27 1pis s TYR 73 Ca 0.00 -0.35 0.01 0.00 -0.52 0.00 0.00 57.07 56.22 1pis s TYR 73 Cb 0.00 -1.33 -0.01 0.00 0.38 0.00 0.00 41.96 41.01 1pis s TYR 73 CO 0.00 0.55 0.05 0.45 -1.52 0.00 0.00 175.55 175.08 1pis n SER 74 N -0.90 0.19 -3.22 -0.18 2.88 -1.26 -4.93 113.62 106.20 1pis n SER 74 Ca -0.05 -1.49 -0.18 0.00 -1.33 0.00 0.00 58.87 55.82 1pis n SER 74 Cb 0.61 0.33 -0.06 0.00 -0.75 0.00 0.00 64.21 64.34 1pis n SER 74 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1pis s TYR 75 N -2.18 1.54 0.38 0.66 1.13 -1.26 -2.12 117.35 115.50 1pis s TYR 75 Ca 0.08 -1.56 0.08 0.00 -1.41 0.00 0.00 57.07 54.26 1pis s TYR 75 Cb 0.00 -0.48 -0.07 0.00 -1.10 0.00 0.00 41.96 40.31 1pis s TYR 75 CO 0.05 -1.00 -0.04 -1.12 -2.51 0.00 0.00 175.55 170.93 1pis s SER 76 N -3.34 3.77 0.11 -0.18 0.01 -1.24 -4.68 113.70 108.16 1pis s SER 76 Ca 0.37 -1.28 -0.14 0.00 1.31 0.00 0.00 55.95 56.21 1pis s SER 76 Cb 0.01 -0.37 0.02 0.00 0.21 0.00 0.00 66.02 65.89 1pis s SER 76 CO 0.26 -0.33 0.33 0.00 0.41 0.00 0.00 173.24 173.91 1pis n SER 78 N -0.16 0.00 0.00 0.00 7.64 -1.15 -4.85 113.62 115.09 1pis n SER 78 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 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 -0.02 6.43 5.15 -1.26 -4.77 115.26 120.79 1pis n ASN 79 Ca 0.00 0.10 -0.22 0.00 -0.60 0.00 0.00 54.58 53.87 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 -0.19 1.73 -2.68 -0.44 -2.24 -1.26 -4.80 114.28 104.40 1pis n THR 80 Ca 0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1pis n THR 80 Cb 0.00 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 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 -3.70 -0.63 -3.40 -0.78 4.07 -1.26 -4.09 120.64 110.84 1pis n GLU 81 Ca -0.32 -0.31 -0.38 0.00 -0.06 0.00 0.00 57.16 56.09 1pis n GLU 81 Cb 0.97 0.56 -0.06 0.00 -0.06 0.00 0.00 31.44 32.84 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 -3.34 5.16 0.00 6.31 1.01 -1.26 -2.95 121.20 126.14 1pis s ILE 82 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1pis s ILE 82 Cb 0.00 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1pis s ILE 82 CO 0.00 0.41 0.00 1.07 0.00 0.00 0.00 174.94 176.42 1pis n THR 83 N 3.15 0.00 -3.92 2.92 5.66 -1.23 -4.84 114.28 116.02 1pis n THR 83 Ca -0.10 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.79 1pis n THR 83 Cb 0.52 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.29 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 -3.03 6.12 0.55 0.00 3.84 -0.90 -3.63 114.94 117.89 1pis s ASN 85 Ca 0.23 0.62 0.36 0.00 0.21 0.00 0.00 52.86 54.27 1pis s ASN 85 Cb -0.02 -2.54 1.64 0.00 -0.55 0.00 0.00 41.25 39.77 1pis s ASN 85 CO 0.16 -1.65 2.06 -1.28 -2.79 0.00 0.00 177.10 173.61 1pis h SER 86 N 11.40 0.00 0.00 -4.21 0.87 -1.95 -2.80 113.55 116.86 1pis h SER 86 Ca -0.28 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.28 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 1.13 0.00 0.03 2.29 -0.53 0.00 0.00 176.83 179.75 1pis n LYS 87 N -2.98 0.18 0.12 2.24 2.85 -1.26 -4.90 118.16 114.41 1pis n LYS 87 Ca -0.00 -0.01 0.12 0.00 -1.05 0.00 0.00 58.31 57.36 1pis n LYS 87 Cb 0.22 -1.43 0.47 0.00 -0.65 0.00 0.00 35.03 33.64 1pis n LYS 87 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1pis n ASN 88 N 2.01 0.69 0.00 -5.58 6.94 -1.06 -5.01 115.26 113.25 1pis n ASN 88 Ca 0.01 0.64 0.00 0.00 -0.02 0.00 0.00 54.58 55.21 1pis n ASN 88 Cb 0.09 -0.80 0.00 0.00 -2.36 0.00 0.00 39.78 36.71 1pis n ASN 88 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1pis n ASN 89 N -2.24 0.00 0.00 0.53 2.85 -1.26 -2.06 115.26 113.09 1pis n ASN 89 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1pis n ASN 89 Cb 0.27 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.29 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 1.76 0.00 -0.05 5.20 0.00 -1.26 -4.32 120.51 121.84 1pis n ALA 90 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 1pis n ALA 90 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.15 0.00 0.05 0.00 5.08 -1.89 -3.15 114.58 114.83 1pis h GLU 92 Ca -0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1pis h GLU 92 Cb 0.98 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 1pis h GLU 92 CO 0.08 0.00 -2.06 0.00 -1.00 0.00 0.00 179.01 176.03 1pis n ALA 93 N -2.08 1.05 -0.01 3.43 0.00 -0.87 -4.25 120.51 117.78 1pis n ALA 93 Ca -0.02 -0.77 -0.08 0.00 0.00 0.00 0.00 53.44 52.57 1pis n ALA 93 Cb 0.21 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.19 1pis n ALA 93 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1pis h PHE 94 N -0.28 -0.08 -0.99 0.00 3.04 -1.41 0.12 116.94 117.33 1pis h PHE 94 Ca -0.49 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.52 1pis h PHE 94 Cb 1.81 0.03 -0.06 0.00 2.56 0.00 0.00 35.95 40.29 1pis h PHE 94 CO 0.05 0.38 0.64 0.82 -2.02 0.00 0.00 178.31 178.18 1pis h ILE 95 N -0.96 1.10 -0.92 1.41 5.03 -1.81 -1.63 117.51 119.73 1pis h ILE 95 Ca -0.01 -0.40 0.03 0.00 -0.12 0.00 0.00 64.86 64.36 1pis h ILE 95 Cb 0.50 -0.18 -0.05 0.00 -3.03 0.00 0.00 36.82 34.06 1pis h ILE 95 CO 0.02 0.21 0.60 0.00 -0.68 0.00 0.00 178.15 178.30 1pis h ASN 97 N 1.19 0.74 0.06 0.00 -0.26 0.04 0.53 115.58 117.88 1pis h ASN 97 Ca 0.36 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1pis h ASN 97 Cb -0.04 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.03 1pis h ASN 97 CO -0.11 0.73 -0.03 0.00 -1.06 0.00 0.00 177.43 176.97 1pis n ASP 99 N -4.99 0.34 0.16 0.00 2.03 -0.88 -2.07 116.55 111.15 1pis n ASP 99 Ca -0.08 0.66 -0.07 0.00 0.52 0.00 0.00 54.79 55.81 1pis n ASP 99 Cb 0.18 -0.70 -0.03 0.00 -0.72 0.00 0.00 41.12 39.84 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 -0.46 -0.59 -0.67 0.11 -0.81 -2.98 114.38 108.98 1pis h ARG 100 Ca 0.00 0.03 0.05 0.00 0.10 0.00 0.00 59.98 60.16 1pis h ARG 100 Cb 0.02 0.10 -0.05 0.00 1.11 0.00 0.00 29.97 31.15 1pis h ARG 100 CO 0.00 -0.31 0.31 -0.97 0.10 0.00 0.00 179.97 179.10 1pis h ASN 101 N -0.97 0.45 -0.17 0.08 -0.73 -1.46 0.20 115.58 112.99 1pis h ASN 101 Ca -0.05 0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.17 1pis h ASN 101 Cb 0.37 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 1pis h ASN 101 CO 0.08 0.30 -0.10 0.00 -0.37 0.00 0.00 177.43 177.34 1pis n ALA 102 N -2.35 -0.11 0.18 1.57 0.00 -0.88 -0.38 120.51 118.55 1pis n ALA 102 Ca 0.06 0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 1pis n ALA 102 Cb 0.16 0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.11 -0.47 -0.58 0.00 0.00 -0.84 -3.03 119.26 114.23 1pis h ALA 103 Ca 0.03 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1pis h ALA 103 Cb 0.07 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 1pis h ALA 103 CO -0.16 -0.60 -0.05 0.82 0.00 0.00 0.00 179.25 179.26 1pis h ILE 104 N -0.80 0.48 0.00 0.00 2.04 -1.20 -3.30 117.51 114.74 1pis h ILE 104 Ca -0.05 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1pis h ILE 104 Cb 0.52 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1pis h ILE 104 CO 0.08 0.01 -0.27 0.00 0.00 0.00 0.00 178.15 177.97 1pis h PHE 106 N 0.00 0.00 0.10 0.00 0.04 -1.60 0.67 116.94 116.15 1pis h PHE 106 Ca -0.00 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.47 1pis h PHE 106 Cb 1.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1pis h PHE 106 CO 0.00 0.04 -1.49 1.03 -0.60 0.00 0.00 178.31 177.29 1pis h SER 107 N 0.00 0.33 -0.30 2.17 0.87 -1.50 -3.41 113.55 111.70 1pis h SER 107 Ca -0.00 -0.45 -0.10 0.00 -1.23 0.00 0.00 61.79 60.01 1pis h SER 107 Cb 0.24 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1pis h SER 107 CO 0.00 1.38 -0.19 0.11 -0.53 0.00 0.00 176.83 177.60 1pis h LYS 108 N 0.06 0.66 -6.76 2.24 1.57 -0.66 -3.47 116.57 110.21 1pis h LYS 108 Ca -0.22 -0.31 -0.49 0.00 -1.87 0.00 0.00 60.65 57.76 1pis h LYS 108 Cb 1.99 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.27 1pis h LYS 108 CO 0.15 0.90 0.35 0.00 -0.57 0.00 0.00 179.45 180.28 1pis s ALA 109 N -4.53 3.33 -0.39 3.86 0.00 0.19 -5.04 121.76 119.18 1pis s ALA 109 Ca -0.13 0.61 -0.24 0.00 0.00 0.00 0.00 51.96 52.20 1pis s ALA 109 Cb 0.09 -3.20 -0.12 0.00 0.00 0.00 0.00 23.12 19.88 1pis s ALA 109 CO 0.81 0.21 1.39 -2.30 0.00 0.00 0.00 175.76 175.87 1pis n PRO 110 N 1.39 0.00 -3.03 0.00 -0.02 -1.26 -4.78 135.00 127.30 1pis n PRO 110 Ca -0.02 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.11 1pis n PRO 110 Cb 0.47 -0.90 -0.06 0.00 -0.02 0.00 0.00 33.50 32.99 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 4.17 3.57 -0.40 6.00 5.04 -1.26 -2.60 117.35 131.87 1pis s TYR 111 Ca 0.75 1.44 -0.24 0.00 -2.44 0.00 0.00 57.07 56.58 1pis s TYR 111 Cb -0.86 -2.67 0.02 0.00 0.35 0.00 0.00 41.96 38.80 1pis s TYR 111 CO 0.37 0.23 0.85 -0.80 -1.34 0.00 0.00 175.55 174.86 1pis s ASN 112 N -1.81 6.55 -0.14 4.32 0.02 -1.26 -4.84 114.94 117.77 1pis s ASN 112 Ca 0.48 0.28 0.12 0.00 -1.02 0.00 0.00 52.86 52.72 1pis s ASN 112 Cb -0.15 -2.42 -0.24 0.00 0.02 0.00 0.00 41.25 38.46 1pis s ASN 112 CO 0.20 -0.87 0.28 2.29 0.02 0.00 0.00 177.10 179.02 1pis n LYS 113 N 6.74 0.67 0.16 -0.60 0.00 -1.26 -4.22 118.16 119.65 1pis n LYS 113 Ca 0.05 0.15 -0.17 0.00 -0.00 0.00 0.00 58.31 58.33 1pis n LYS 113 Cb 0.48 -1.64 -0.10 0.00 -0.00 0.00 0.00 35.03 33.78 1pis n LYS 113 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1pis h GLU 114 N 0.01 -0.79 -0.30 -1.58 9.09 -2.00 -3.29 114.58 115.72 1pis h GLU 114 Ca -0.44 0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.02 1pis h GLU 114 Cb 2.11 0.18 0.00 0.00 -1.65 0.00 0.00 28.75 29.38 1pis h GLU 114 CO 0.04 -0.53 0.00 0.72 0.05 0.00 0.00 179.01 179.29 1pis n HIS 115 N -5.51 0.39 0.34 2.06 8.25 -1.26 -4.62 115.22 114.88 1pis n HIS 115 Ca -0.09 -0.20 0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1pis n HIS 115 Cb 0.43 0.00 0.59 0.00 1.12 0.00 0.00 29.99 32.13 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 2.47 0.00 -2.16 -0.41 3.64 -1.73 -0.37 116.57 118.02 1pis h LYS 116 Ca 0.00 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.97 1pis h LYS 116 Cb 0.55 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.04 1pis h LYS 116 CO 0.00 0.00 -0.71 1.21 -2.27 0.00 0.00 179.45 177.68 1pis s ASN 117 N -4.73 1.74 0.78 4.20 2.47 -1.23 -4.22 114.94 113.95 1pis s ASN 117 Ca 0.02 -1.51 -0.10 0.00 0.42 0.00 0.00 52.86 51.69 1pis s ASN 117 Cb 0.09 0.32 0.09 0.00 -1.45 0.00 0.00 41.25 40.30 1pis s ASN 117 CO 0.43 -0.30 1.13 -0.22 -3.72 0.00 0.00 177.10 174.41 1pis s LEU 118 N 1.59 2.67 -0.00 3.21 2.96 -1.07 -5.05 118.68 122.98 1pis s LEU 118 Ca 0.15 0.55 -0.12 0.00 -0.22 0.00 0.00 54.13 54.49 1pis s LEU 118 Cb -0.17 -3.04 -0.32 0.00 0.50 0.00 0.00 46.19 43.16 1pis s LEU 118 CO -0.10 -1.89 0.86 0.44 -1.32 0.00 0.00 176.35 174.33 1pis h ASP 119 N -0.94 0.68 0.00 3.68 3.32 -1.87 -3.50 116.42 117.79 1pis h ASP 119 Ca -0.45 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 55.75 1pis h ASP 119 Cb 1.31 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1pis h ASP 119 CO 0.59 1.69 0.41 1.07 -1.72 0.00 0.00 179.24 181.29 1pis n THR 120 N -3.62 0.00 -0.52 0.35 5.66 -1.26 -4.60 114.28 110.29 1pis n THR 120 Ca -0.20 -0.41 -0.08 0.00 -3.05 0.00 0.00 64.05 60.32 1pis n THR 120 Cb 1.08 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 70.07 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 3.07 2.75 0.02 1.09 -0.00 -1.26 -4.80 118.16 119.04 1pis n LYS 121 Ca 0.00 -2.24 0.00 0.00 -0.00 0.00 0.00 58.31 56.07 1pis n LYS 121 Cb 0.21 -1.95 0.00 0.00 -0.00 0.00 0.00 35.03 33.29 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 -0.20 0.00 -1.09 -1.58 4.01 -1.26 -4.96 118.16 113.07 1pis n LYS 122 Ca 0.34 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.96 1pis n LYS 122 Cb 1.18 -0.02 0.19 0.00 -0.51 0.00 0.00 35.03 35.87 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 -2.67 2.42 -0.91 2.13 4.01 -1.26 -5.12 117.16 115.77 1pis n TYR 123 Ca 0.00 -1.76 0.00 0.00 -0.16 0.00 0.00 57.90 55.98 1pis n TYR 123 Cb 0.00 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.23 1pis n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40