#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 -0.04 0.00 7.94 -1.26 -4.78 117.00 118.86 1pis n LEU 2 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 1pis n LEU 2 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 1pis n LEU 2 CO 0.00 0.00 -0.76 -2.67 -1.11 0.00 0.00 177.39 172.85 1pis n TRP 3 N -0.08 0.43 0.27 1.96 4.27 -1.26 -3.94 117.44 119.09 1pis n TRP 3 Ca 0.00 0.15 0.13 0.00 -3.89 0.00 0.00 57.50 53.89 1pis n TRP 3 Cb 0.00 -0.98 0.78 0.00 -1.36 0.00 0.00 31.31 29.75 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 -0.95 -2.67 5.75 -1.83 -2.65 115.11 112.76 1pis h GLN 4 Ca -0.32 0.00 0.16 0.00 -0.15 0.00 0.00 58.65 58.34 1pis h GLN 4 Cb 1.84 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 30.30 1pis h GLN 4 CO 0.04 0.08 0.55 0.35 -2.65 0.00 0.00 178.83 177.20 1pis h PHE 5 N 0.00 0.98 0.05 3.99 3.57 -1.79 -0.21 116.94 123.53 1pis h PHE 5 Ca -0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pis h PHE 5 Cb 0.22 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1pis h PHE 5 CO 0.00 0.27 -0.02 0.00 -2.23 0.00 0.00 178.31 176.33 1pis h ARG 6 N 0.77 -0.07 -0.92 1.11 -0.00 -1.68 -1.17 114.38 112.42 1pis h ARG 6 Ca 0.52 0.00 0.23 0.00 -0.50 0.00 0.00 59.98 60.23 1pis h ARG 6 Cb 0.70 0.02 -0.17 0.00 0.00 0.00 0.00 29.97 30.52 1pis h ARG 6 CO -0.34 0.14 -0.04 0.77 0.00 0.00 0.00 179.97 180.50 1pis h SER 7 N -0.27 -0.54 0.43 7.04 0.02 -1.65 -2.80 113.55 115.78 1pis h SER 7 Ca -0.01 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1pis h SER 7 Cb 0.24 0.48 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1pis h SER 7 CO 0.01 -0.30 -0.49 -0.03 -1.14 0.00 0.00 176.83 174.88 1pis h MET 8 N 0.03 -0.90 0.00 3.45 -1.53 -0.63 -3.18 114.93 112.17 1pis h MET 8 Ca 0.52 0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.84 1pis h MET 8 Cb 0.97 0.21 0.00 0.00 -0.55 0.00 0.00 31.60 32.23 1pis h MET 8 CO -0.87 -0.60 0.00 -0.89 0.14 0.00 0.00 176.91 174.69 1pis n ILE 9 N -5.39 0.00 0.01 1.77 5.41 -0.48 -2.85 119.36 117.83 1pis n ILE 9 Ca -0.11 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.59 1pis n ILE 9 Cb 0.44 -0.43 -0.04 0.00 -0.71 0.00 0.00 39.64 38.90 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 -0.15 -0.39 0.38 1.79 -1.48 -3.19 116.57 113.53 1pis h LYS 10 Ca 0.00 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1pis h LYS 10 Cb 0.00 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.64 1pis h LYS 10 CO 0.00 0.08 -0.22 0.00 -1.08 0.00 0.00 179.45 178.23 1pis n ALA 12 N -3.71 2.54 -3.79 0.00 0.00 -1.17 -4.67 120.51 109.71 1pis n ALA 12 Ca 0.01 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.65 1pis n ALA 12 Cb 0.11 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 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 0.34 2.00 -1.72 0.00 2.08 -1.09 -4.53 119.36 116.44 1pis n ILE 13 Ca 0.18 -4.97 -0.38 0.00 0.56 0.00 0.00 62.75 58.13 1pis n ILE 13 Cb 0.37 -2.21 -0.03 0.00 -0.75 0.00 0.00 39.64 37.03 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 -1.61 2.50 0.00 0.38 0.01 -1.26 -4.12 135.00 130.90 1pis s PRO 14 Ca 0.27 1.33 0.00 0.00 0.01 0.00 0.00 61.00 62.62 1pis s PRO 14 Cb -0.02 -4.47 0.00 0.00 0.01 0.00 0.00 34.50 30.02 1pis s PRO 14 CO -0.14 -2.83 0.00 0.41 0.01 0.00 0.00 177.00 174.45 1pis n GLY 15 N 5.84 2.23 3.70 0.52 0.00 -1.26 -5.08 105.19 111.14 1pis n GLY 15 Ca 0.31 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 3.67 -0.26 1.61 0.01 -1.26 -5.04 113.70 108.44 1pis s SER 16 Ca 0.00 2.38 -0.09 0.00 1.31 0.00 0.00 55.95 59.55 1pis s SER 16 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1pis s SER 16 CO 0.00 -2.61 0.12 -1.00 0.41 0.00 0.00 173.24 170.16 1pis s HIS 17 N -2.09 3.16 0.21 2.43 3.76 -1.26 -4.82 115.29 116.67 1pis s HIS 17 Ca 0.74 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.52 1pis s HIS 17 Cb -0.29 -2.29 0.00 0.00 1.11 0.00 0.00 32.58 31.11 1pis s HIS 17 CO 0.50 -0.22 0.00 -2.30 -0.85 0.00 0.00 174.74 171.87 1pis n PRO 18 N 4.86 1.36 0.00 8.40 -0.02 -1.26 -3.78 135.00 144.56 1pis n PRO 18 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1pis n PRO 18 Cb 0.52 -0.41 0.00 0.00 -0.02 0.00 0.00 33.50 33.59 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 -0.90 117.00 125.33 1pis n LEU 19 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.88 1pis n LEU 19 Cb 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.24 1pis n LEU 19 CO 0.00 0.00 0.84 0.24 -1.51 0.00 0.00 177.39 176.96 1pis h MET 20 N 0.00 -0.03 0.04 3.23 2.86 -1.92 -1.08 114.93 118.03 1pis h MET 20 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1pis h MET 20 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1pis h MET 20 CO 0.00 0.01 -0.39 -0.44 1.06 0.00 0.00 176.91 177.15 1pis h ASP 21 N -0.07 0.13 -0.42 1.22 5.19 -1.47 -3.43 116.42 117.58 1pis h ASP 21 Ca -0.00 -0.94 -0.09 0.00 -0.62 0.00 0.00 57.03 55.38 1pis h ASP 21 Cb 0.06 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 1pis h ASP 21 CO 0.01 1.17 -0.06 -0.26 -3.12 0.00 0.00 179.24 176.98 1pis h PHE 22 N -0.81 0.92 -4.03 4.55 0.04 -1.04 -3.44 116.94 113.14 1pis h PHE 22 Ca -0.08 -0.16 -0.48 0.00 2.80 0.00 0.00 57.97 60.05 1pis h PHE 22 Cb 1.22 -0.24 0.03 0.00 2.20 0.00 0.00 35.95 39.17 1pis h PHE 22 CO 0.23 0.87 0.41 1.21 -0.60 0.00 0.00 178.31 180.44 1pis s ASN 23 N -6.66 6.38 0.00 2.17 2.47 -0.41 -3.62 114.94 115.27 1pis s ASN 23 Ca -0.10 2.05 0.00 0.00 0.42 0.00 0.00 52.86 55.23 1pis s ASN 23 Cb 0.14 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1pis s ASN 23 CO 0.83 -0.76 0.00 0.59 -3.72 0.00 0.00 177.10 174.04 1pis n ASN 24 N -0.64 0.00 -4.75 -4.21 3.02 -1.26 -4.93 115.26 102.48 1pis n ASN 24 Ca 0.08 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.31 1pis n ASN 24 Cb 0.51 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.78 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 -0.86 2.40 0.38 3.10 -0.85 -1.22 -4.30 117.35 116.00 1pis s TYR 25 Ca 0.00 1.60 0.00 0.00 -0.52 0.00 0.00 57.07 58.15 1pis s TYR 25 Cb 0.00 -3.13 0.00 0.00 0.38 0.00 0.00 41.96 39.21 1pis s TYR 25 CO 0.00 -1.99 0.00 0.41 -1.52 0.00 0.00 175.55 172.45 1pis n GLY 26 N -0.80 -2.21 0.13 5.49 0.00 -0.05 -4.76 105.19 102.98 1pis n GLY 26 Ca 0.10 -1.15 0.05 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.92 -0.64 -3.83 0.00 4.11 -1.26 -5.03 117.16 107.59 1pis n TYR 28 Ca -0.03 -3.42 -0.30 0.00 -0.00 0.00 0.00 57.90 54.16 1pis n TYR 28 Cb 0.69 -0.13 -0.14 0.00 -0.00 0.00 0.00 39.34 39.76 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 4.14 3.99 3.68 0.00 0.00 -1.26 -5.05 105.19 110.68 1pis n GLY 30 Ca 0.03 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 4.42 0.00 0.99 1.43 -1.26 -3.90 118.68 120.35 1pis s LEU 31 Ca 0.00 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 1pis s LEU 31 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1pis s LEU 31 CO 0.00 -1.03 0.00 0.61 0.23 0.00 0.00 176.35 176.16 1pis n GLY 32 N 4.39 1.03 2.64 -3.19 0.00 -1.26 -5.03 105.19 103.77 1pis n GLY 32 Ca 0.19 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.87 3.56 -0.02 0.00 -1.25 -4.96 105.19 103.40 1pis n GLY 33 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.78 4.85 0.00 1.61 1.04 -1.26 -4.70 113.70 112.46 1pis s SER 34 Ca 0.00 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.64 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 -3.09 0.00 0.61 0.98 0.00 0.00 173.24 171.74 1pis n GLY 35 N 6.60 0.10 0.00 7.32 0.00 -1.26 -5.16 105.19 112.79 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 -1.23 2.61 5.66 -1.26 -5.13 114.28 114.93 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 -0.81 -3.05 0.00 0.00 175.07 171.21 1pis n PRO 37 N 0.00 0.67 0.00 1.09 -0.04 -1.26 -4.65 135.00 130.81 1pis n PRO 37 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1pis n PRO 37 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1pis n PRO 37 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1pis n VAL 38 N -1.19 0.00 -3.42 0.52 0.24 -1.20 -4.38 118.33 108.91 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 -0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 31.66 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 -0.72 6.13 0.00 -1.34 2.15 -1.26 -5.01 116.67 116.61 1pis s ASP 39 Ca 0.00 0.22 0.02 0.00 0.43 0.00 0.00 52.55 53.22 1pis s ASP 39 Cb 0.00 -1.73 0.11 0.00 -0.30 0.00 0.00 42.92 41.00 1pis s ASP 39 CO 0.00 -0.37 0.42 -1.84 -0.17 0.00 0.00 175.17 173.21 1pis n GLU 40 N -1.76 0.10 0.14 4.34 0.00 -1.26 -2.56 120.64 119.65 1pis n GLU 40 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.25 1pis n GLU 40 Cb 0.57 -1.28 0.24 0.00 0.00 0.00 0.00 31.44 30.97 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 -1.02 -1.84 5.85 -1.81 -0.13 115.31 116.36 1pis h LEU 41 Ca 0.00 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1pis h LEU 41 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1pis h LEU 41 CO 0.00 0.02 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.29 1pis h ASP 42 N 0.00 0.62 0.35 1.25 3.58 -1.82 -3.30 116.42 117.11 1pis h ASP 42 Ca 0.00 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1pis h ASP 42 Cb 0.86 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1pis h ASP 42 CO 0.00 0.72 0.00 -0.09 -2.88 0.00 0.00 179.24 176.99 1pis h ARG 43 N 0.60 0.00 0.04 0.28 1.12 -1.36 -0.89 114.38 114.16 1pis h ARG 43 Ca 0.12 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.76 1pis h ARG 43 Cb 0.46 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.40 1pis h ARG 43 CO 0.02 0.00 -1.04 0.00 -3.11 0.00 0.00 179.97 175.85 1pis h GLU 46 N 0.74 -0.03 -0.07 0.00 4.57 -1.28 -1.47 114.58 117.04 1pis h GLU 46 Ca 0.16 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.27 1pis h GLU 46 Cb 0.32 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1pis h GLU 46 CO 0.00 -0.02 -0.23 1.15 -1.18 0.00 0.00 179.01 178.73 1pis h THR 47 N -0.03 1.42 0.00 0.32 2.02 -1.70 -2.83 112.91 112.11 1pis h THR 47 Ca 0.35 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1pis h THR 47 Cb 0.61 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1pis h THR 47 CO -0.93 0.46 0.00 1.57 0.37 0.00 0.00 175.52 176.99 1pis n HIS 48 N -4.51 0.00 -0.08 3.16 -0.00 -1.11 -1.05 115.22 111.63 1pis n HIS 48 Ca -0.08 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.46 1pis n HIS 48 Cb 0.44 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.99 30.34 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 -0.06 1.19 0.14 0.26 8.00 -0.57 -4.39 116.55 121.13 1pis n ASP 49 Ca 0.00 0.21 0.02 0.00 0.71 0.00 0.00 54.79 55.73 1pis n ASP 49 Cb 0.08 -0.50 0.03 0.00 -0.02 0.00 0.00 41.12 40.71 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 -0.61 0.00 0.13 -2.24 -1.24 -1.39 -0.28 115.58 109.95 1pis h ASN 50 Ca -0.43 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.57 1pis h ASN 50 Cb 1.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.43 1pis h ASN 50 CO -0.26 0.53 -0.06 0.00 -1.29 0.00 0.00 177.43 176.34 1pis h TYR 52 N -0.44 0.57 0.43 0.00 -1.99 -1.76 -1.01 116.97 112.78 1pis h TYR 52 Ca -0.02 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1pis h TYR 52 Cb 0.35 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1pis h TYR 52 CO 0.01 0.08 -0.22 0.00 -0.00 0.00 0.00 178.16 178.03 1pis h ARG 53 N 0.36 -0.57 0.00 4.88 2.47 -1.04 -1.90 114.38 118.58 1pis h ARG 53 Ca 0.56 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 59.32 1pis h ARG 53 Cb 1.49 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.93 1pis h ARG 53 CO -0.24 -0.38 -0.02 0.22 0.56 0.00 0.00 179.97 180.11 1pis h ASP 54 N -0.59 0.00 0.60 7.04 3.58 -1.26 -3.00 116.42 122.79 1pis h ASP 54 Ca -0.06 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.11 1pis h ASP 54 Cb 0.46 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 1pis h ASP 54 CO 0.09 0.02 -1.31 0.00 -2.88 0.00 0.00 179.24 175.16 1pis h ALA 55 N 1.98 0.15 -0.68 -0.78 0.00 -1.10 -3.28 119.26 115.55 1pis h ALA 55 Ca -0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 54.91 53.90 1pis h ALA 55 Cb 0.29 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1pis h ALA 55 CO 0.00 1.03 0.18 1.57 0.00 0.00 0.00 179.25 182.04 1pis h LYS 56 N 0.07 1.06 0.00 0.00 2.10 -1.34 -3.30 116.57 115.16 1pis h LYS 56 Ca -0.16 -0.23 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1pis h LYS 56 Cb 1.98 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 33.16 1pis h LYS 56 CO 0.19 0.92 0.00 -1.71 -2.00 0.00 0.00 179.45 176.85 1pis n ASN 57 N -4.25 0.00 -4.61 7.07 5.15 -1.14 -4.59 115.26 112.89 1pis n ASN 57 Ca 0.05 -0.53 -0.42 0.00 -0.60 0.00 0.00 54.58 53.09 1pis n ASN 57 Cb 0.24 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.45 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 -1.93 4.05 0.33 1.20 2.96 -1.24 -4.95 118.68 119.10 1pis s LEU 58 Ca 0.22 0.71 0.06 0.00 -0.22 0.00 0.00 54.13 54.90 1pis s LEU 58 Cb 0.10 -3.20 0.73 0.00 0.50 0.00 0.00 46.19 44.32 1pis s LEU 58 CO 0.17 -0.72 1.85 -0.78 -1.32 0.00 0.00 176.35 175.56 1pis h ASP 59 N 8.19 0.75 -0.54 3.68 3.58 -1.94 -3.05 116.42 127.09 1pis h ASP 59 Ca -0.23 0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.36 1pis h ASP 59 Cb 1.09 -0.10 -0.08 0.00 1.72 0.00 0.00 39.33 41.96 1pis h ASP 59 CO 0.93 0.38 0.12 0.77 -2.88 0.00 0.00 179.24 178.56 1pis h SER 60 N 0.80 0.01 -2.81 2.28 4.64 -1.96 -3.39 113.55 113.12 1pis h SER 60 Ca 0.47 0.10 -0.35 0.00 -0.47 0.00 0.00 61.79 61.54 1pis h SER 60 Cb 0.65 0.13 -0.37 0.00 -0.31 0.00 0.00 62.40 62.50 1pis h SER 60 CO -0.23 0.03 -0.66 0.00 -0.87 0.00 0.00 176.83 175.09 1pis s LYS 62 N 2.27 4.12 0.00 0.00 -0.14 -1.19 -4.66 119.74 120.14 1pis s LYS 62 Ca 0.05 0.60 0.00 0.00 -1.36 0.00 0.00 55.97 55.25 1pis s LYS 62 Cb -0.15 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 1pis s LYS 62 CO -0.10 0.60 1.15 1.19 -0.76 0.00 0.00 175.35 177.44 1pis n PHE 63 N 1.97 0.00 0.31 3.18 3.01 -1.26 -1.34 117.46 123.33 1pis n PHE 63 Ca -0.11 -0.57 0.16 0.00 1.01 0.00 0.00 57.45 57.93 1pis n PHE 63 Cb 0.51 -0.31 0.67 0.00 -0.01 0.00 0.00 39.48 40.34 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 1.96 0.00 -0.05 4.37 4.07 -1.97 -3.38 115.31 120.31 1pis h LEU 64 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1pis h LEU 64 Cb 0.82 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.56 1pis h LEU 64 CO 0.00 0.00 -0.01 -0.37 -1.08 0.00 0.00 178.44 176.98 1pis h VAL 65 N 0.00 1.27 -5.40 1.22 -1.51 -1.55 -3.49 116.25 106.80 1pis h VAL 65 Ca 0.00 -0.84 -0.01 0.00 -1.23 0.00 0.00 66.70 64.61 1pis h VAL 65 Cb 0.42 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1pis h VAL 65 CO 0.00 0.23 -0.12 -0.67 -1.23 0.00 0.00 177.57 175.78 1pis n ASP 66 N -4.86 -7.75 -3.58 4.19 2.03 -1.26 -5.05 116.55 100.28 1pis n ASP 66 Ca -0.07 0.01 -0.27 0.00 0.52 0.00 0.00 54.79 54.98 1pis n ASP 66 Cb 0.20 -5.22 -0.11 0.00 -0.72 0.00 0.00 41.12 35.27 1pis n ASP 66 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pis n ASN 67 N -1.53 0.83 0.00 1.67 3.02 -1.26 -5.06 115.26 112.92 1pis n ASN 67 Ca 0.01 -2.69 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 1pis n ASN 67 Cb 0.50 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1pis n ASN 67 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1pis n PRO 68 N 2.49 0.00 0.00 3.52 -0.04 -1.26 -4.86 135.00 134.86 1pis n PRO 68 Ca 0.26 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.80 1pis n PRO 68 Cb 0.43 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.94 1pis n PRO 68 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pis n TYR 69 N 0.00 0.00 0.00 0.54 4.01 -1.26 -4.82 117.16 115.63 1pis n TYR 69 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1pis n TYR 69 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1pis n TYR 69 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1pis n THR 70 N 0.63 0.00 -2.70 -0.72 5.66 -1.26 -4.45 114.28 111.44 1pis n THR 70 Ca 0.09 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.66 1pis n THR 70 Cb 0.39 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 1pis n THR 70 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1pis n GLU 71 N -1.99 3.76 0.14 1.09 1.02 -1.26 -4.15 120.64 119.26 1pis n GLU 71 Ca 0.00 -3.91 0.00 0.00 -0.02 0.00 0.00 57.16 53.23 1pis n GLU 71 Cb 0.00 -2.82 0.00 0.00 -0.02 0.00 0.00 31.44 28.60 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 3.54 -2.47 -4.23 1.62 2.88 -1.26 -4.63 113.62 109.07 1pis n SER 72 Ca 0.35 0.71 -0.20 0.00 -1.33 0.00 0.00 58.87 58.39 1pis n SER 72 Cb 0.37 2.49 -0.10 0.00 -0.75 0.00 0.00 64.21 66.22 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 1.72 0.16 0.66 -0.85 -1.26 -5.02 117.35 110.76 1pis s TYR 73 Ca 0.00 -1.19 0.01 0.00 -0.52 0.00 0.00 57.07 55.37 1pis s TYR 73 Cb 0.00 -1.04 -0.00 0.00 0.38 0.00 0.00 41.96 41.29 1pis s TYR 73 CO 0.00 -0.29 0.18 0.45 -1.52 0.00 0.00 175.55 174.38 1pis n SER 74 N -0.82 -0.50 -3.25 -0.18 2.88 -1.26 -4.90 113.62 105.59 1pis n SER 74 Ca -0.02 -1.92 -0.18 0.00 -1.33 0.00 0.00 58.87 55.42 1pis n SER 74 Cb 0.66 1.00 -0.07 0.00 -0.75 0.00 0.00 64.21 65.05 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 -3.45 1.56 0.33 0.66 1.13 -1.26 -1.91 117.35 114.41 1pis s TYR 75 Ca 0.15 -1.56 0.08 0.00 -1.41 0.00 0.00 57.07 54.33 1pis s TYR 75 Cb 0.00 -0.50 -0.06 0.00 -1.10 0.00 0.00 41.96 40.29 1pis s TYR 75 CO 0.11 -0.98 -0.07 -1.12 -2.51 0.00 0.00 175.55 170.98 1pis s SER 76 N -3.34 3.44 0.18 -0.18 0.01 -1.22 -4.69 113.70 107.90 1pis s SER 76 Ca 0.37 -1.22 -0.09 0.00 1.31 0.00 0.00 55.95 56.32 1pis s SER 76 Cb 0.01 -0.30 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 1pis s SER 76 CO 0.26 -0.28 0.31 0.00 0.41 0.00 0.00 173.24 173.94 1pis n SER 78 N -0.24 0.00 0.00 0.00 2.88 -1.17 -4.84 113.62 110.25 1pis n SER 78 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1pis n SER 78 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1pis n SER 78 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1pis n ASN 79 N 0.00 0.00 -0.06 -3.46 2.85 -1.26 -4.79 115.26 108.54 1pis n ASN 79 Ca 0.00 0.12 -0.22 0.00 -0.11 0.00 0.00 54.58 54.37 1pis n ASN 79 Cb 0.00 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.89 1pis n ASN 79 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1pis n THR 80 N -0.20 1.65 -3.01 -0.44 -2.24 -1.26 -4.80 114.28 103.98 1pis n THR 80 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 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 -3.81 -0.66 -3.44 -0.78 4.07 -1.26 -4.20 120.64 110.56 1pis n GLU 81 Ca -0.36 -0.33 -0.37 0.00 -0.06 0.00 0.00 57.16 56.04 1pis n GLU 81 Cb 0.92 0.59 -0.06 0.00 -0.06 0.00 0.00 31.44 32.82 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 -3.66 5.23 0.00 6.31 1.01 -1.26 -3.06 121.20 125.78 1pis s ILE 82 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.40 1pis s ILE 82 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1pis s ILE 82 CO 0.00 0.38 0.00 1.07 0.00 0.00 0.00 174.94 176.39 1pis n THR 83 N 3.42 0.00 -3.95 2.92 5.66 -1.21 -4.83 114.28 116.29 1pis n THR 83 Ca -0.10 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.78 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 -2.81 5.74 0.23 0.00 2.47 -0.80 -3.44 114.94 116.33 1pis s ASN 85 Ca 0.23 0.36 0.22 0.00 0.42 0.00 0.00 52.86 54.09 1pis s ASN 85 Cb -0.01 -2.54 0.95 0.00 -1.45 0.00 0.00 41.25 38.20 1pis s ASN 85 CO 0.17 -2.00 1.67 -0.24 -3.72 0.00 0.00 177.10 172.97 1pis n SER 86 N 10.97 0.58 -0.96 -4.21 2.88 -1.26 -1.63 113.62 119.98 1pis n SER 86 Ca 0.16 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1pis n SER 86 Cb 0.50 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 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 -2.15 0.00 -2.34 -1.46 2.85 -1.26 -5.00 118.16 108.80 1pis n LYS 87 Ca 0.02 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.88 1pis n LYS 87 Cb 0.20 -1.40 -0.03 0.00 -0.65 0.00 0.00 35.03 33.14 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 0.74 7.03 0.00 -5.58 2.20 -0.65 -5.03 114.94 113.64 1pis s ASN 88 Ca 0.00 2.41 0.00 0.00 -0.94 0.00 0.00 52.86 54.33 1pis s ASN 88 Cb 0.00 -2.63 0.00 0.00 -2.00 0.00 0.00 41.25 36.62 1pis s ASN 88 CO 0.00 -0.33 0.00 -3.20 -2.94 0.00 0.00 177.10 170.63 1pis n ASN 89 N 0.94 0.00 0.00 3.54 2.85 -1.26 -4.89 115.26 116.44 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 0.44 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.46 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 0.10 5.20 0.00 -1.26 -4.29 120.51 117.26 1pis n ALA 90 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1pis n ALA 90 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 0.09 0.45 0.00 0.00 5.08 -1.89 -2.59 114.58 115.72 1pis h GLU 92 Ca -0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1pis h GLU 92 Cb 1.88 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1pis h GLU 92 CO 0.19 0.30 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 1pis h ALA 93 N 1.37 1.00 0.09 3.43 0.00 -1.74 -2.90 119.26 120.50 1pis h ALA 93 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1pis h ALA 93 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pis h ALA 93 CO -0.25 0.00 -0.04 0.35 0.00 0.00 0.00 179.25 179.31 1pis h PHE 94 N 0.00 -0.11 -0.92 0.00 3.04 -1.15 -1.25 116.94 116.56 1pis h PHE 94 Ca 0.00 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.98 1pis h PHE 94 Cb 0.39 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.89 1pis h PHE 94 CO 0.00 -0.02 0.60 0.82 -2.02 0.00 0.00 178.31 177.69 1pis h ILE 95 N -1.03 1.17 -0.87 1.41 5.03 -1.68 -1.54 117.51 120.00 1pis h ILE 95 Ca -0.01 -0.40 0.11 0.00 -0.12 0.00 0.00 64.86 64.43 1pis h ILE 95 Cb 0.14 -0.11 -0.06 0.00 -3.03 0.00 0.00 36.82 33.76 1pis h ILE 95 CO 0.02 0.21 0.56 0.00 -0.68 0.00 0.00 178.15 178.27 1pis h ASN 97 N 0.82 0.77 0.33 0.00 2.35 -0.21 0.61 115.58 120.25 1pis h ASN 97 Ca 0.41 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1pis h ASN 97 Cb 0.48 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1pis h ASN 97 CO -0.18 0.81 -0.16 0.00 -1.65 0.00 0.00 177.43 176.25 1pis h ASP 99 N -0.72 0.00 0.31 0.00 3.58 -1.47 -1.77 116.42 116.35 1pis h ASP 99 Ca -0.05 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 1pis h ASP 99 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1pis h ASP 99 CO 0.08 0.00 -0.15 0.08 -2.88 0.00 0.00 179.24 176.37 1pis h ARG 100 N 0.00 -0.41 -0.50 0.28 0.11 -0.76 -2.89 114.38 110.22 1pis h ARG 100 Ca 0.00 0.03 0.03 0.00 0.10 0.00 0.00 59.98 60.14 1pis h ARG 100 Cb 0.27 0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.40 1pis h ARG 100 CO 0.00 -0.27 0.28 -0.97 0.10 0.00 0.00 179.97 179.11 1pis h ASN 101 N -0.68 0.44 -0.16 0.08 -1.24 -1.26 0.31 115.58 113.07 1pis h ASN 101 Ca -0.04 0.01 0.01 0.00 0.71 0.00 0.00 56.30 56.99 1pis h ASN 101 Cb 0.32 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 1pis h ASN 101 CO 0.07 0.31 -0.10 0.00 -1.29 0.00 0.00 177.43 176.42 1pis n ALA 102 N -2.29 -0.10 0.06 1.57 0.00 -0.69 -0.06 120.51 118.99 1pis n ALA 102 Ca 0.04 0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 1pis n ALA 102 Cb 0.09 0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.09 -0.16 -0.17 0.00 0.00 -0.76 -2.95 119.26 115.14 1pis h ALA 103 Ca 0.03 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1pis h ALA 103 Cb 0.07 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1pis h ALA 103 CO -0.15 -0.42 -0.22 0.82 0.00 0.00 0.00 179.25 179.28 1pis h ILE 104 N -0.50 0.46 0.00 0.00 2.04 -1.21 -3.30 117.51 115.00 1pis h ILE 104 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1pis h ILE 104 Cb 0.40 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1pis h ILE 104 CO 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.05 1pis h PHE 106 N 0.00 0.00 0.00 0.00 0.04 -1.59 0.12 116.94 115.50 1pis h PHE 106 Ca -0.00 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.49 1pis h PHE 106 Cb 0.45 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 1pis h PHE 106 CO 0.00 0.02 -1.77 0.45 -0.60 0.00 0.00 178.31 176.41 1pis n SER 107 N -3.20 0.72 -0.04 2.17 2.88 -0.54 -4.55 113.62 111.05 1pis n SER 107 Ca -0.02 0.34 -0.14 0.00 -1.33 0.00 0.00 58.87 57.72 1pis n SER 107 Cb 0.17 0.18 -0.08 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.38 -6.83 -1.46 1.57 -0.80 -3.47 116.57 105.97 1pis h LYS 108 Ca -0.30 -0.25 -0.50 0.00 -1.87 0.00 0.00 60.65 57.73 1pis h LYS 108 Cb 1.95 0.04 0.01 0.00 0.08 0.00 0.00 32.23 34.31 1pis h LYS 108 CO 0.06 0.86 0.44 0.00 -0.57 0.00 0.00 179.45 180.24 1pis s ALA 109 N -3.94 3.33 0.03 3.86 0.00 0.37 -5.06 121.76 120.35 1pis s ALA 109 Ca -0.14 0.81 -0.38 0.00 0.00 0.00 0.00 51.96 52.25 1pis s ALA 109 Cb 0.05 -3.29 -0.19 0.00 0.00 0.00 0.00 23.12 19.68 1pis s ALA 109 CO 0.77 -0.10 1.00 -2.30 0.00 0.00 0.00 175.76 175.13 1pis n PRO 110 N 0.99 0.06 -4.52 0.00 -0.02 -1.26 -4.84 135.00 125.40 1pis n PRO 110 Ca -0.00 0.02 -0.31 0.00 -2.02 0.00 0.00 63.50 61.19 1pis n PRO 110 Cb 0.46 -1.45 -0.11 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.13 2.70 -0.19 6.00 5.04 -1.26 -2.48 117.35 127.03 1pis s TYR 111 Ca 0.87 -0.16 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 1pis s TYR 111 Cb -1.20 -1.51 0.02 0.00 0.35 0.00 0.00 41.96 39.62 1pis s TYR 111 CO 0.56 0.32 -0.19 -0.80 -1.34 0.00 0.00 175.55 174.11 1pis s ASN 112 N -1.55 3.26 0.00 4.32 0.02 -1.26 -5.04 114.94 114.69 1pis s ASN 112 Ca 0.17 -0.73 -0.01 0.00 -1.02 0.00 0.00 52.86 51.27 1pis s ASN 112 Cb -0.11 -1.48 -0.05 0.00 0.02 0.00 0.00 41.25 39.63 1pis s ASN 112 CO 0.07 -0.02 1.91 2.29 0.02 0.00 0.00 177.10 181.37 1pis n LYS 113 N 4.60 0.98 0.11 -0.60 2.85 -1.26 -4.00 118.16 120.84 1pis n LYS 113 Ca -0.20 -0.18 0.00 0.00 -1.05 0.00 0.00 58.31 56.88 1pis n LYS 113 Cb 0.49 -1.28 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 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 1.83 0.00 0.00 -1.58 -0.58 -1.26 -4.48 120.64 114.57 1pis n GLU 114 Ca 0.08 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.88 1pis n GLU 114 Cb 0.47 0.00 0.36 0.00 -0.57 0.00 0.00 31.44 31.70 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 -3.18 0.00 0.28 -0.32 8.25 -1.26 -4.52 115.22 114.47 1pis n HIS 115 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 1pis n HIS 115 Cb 0.00 0.00 0.82 0.00 1.12 0.00 0.00 29.99 31.93 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 0.00 0.00 -2.50 -0.41 3.64 -1.79 0.00 116.57 115.52 1pis h LYS 116 Ca 0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 1pis h LYS 116 Cb 0.00 0.00 -0.37 0.00 -0.41 0.00 0.00 32.23 31.45 1pis h LYS 116 CO 0.00 0.07 -0.79 1.21 -2.27 0.00 0.00 179.45 177.67 1pis s ASN 117 N -5.84 2.71 0.73 4.20 2.47 -1.26 -3.40 114.94 114.54 1pis s ASN 117 Ca -0.02 -1.72 -0.11 0.00 0.42 0.00 0.00 52.86 51.42 1pis s ASN 117 Cb 0.12 -0.15 0.03 0.00 -1.45 0.00 0.00 41.25 39.80 1pis s ASN 117 CO 0.54 -0.34 1.09 -0.22 -3.72 0.00 0.00 177.10 174.44 1pis s LEU 118 N 1.52 2.84 -0.05 3.21 2.96 -0.99 -5.04 118.68 123.14 1pis s LEU 118 Ca 0.15 1.26 -0.23 0.00 -0.22 0.00 0.00 54.13 55.08 1pis s LEU 118 Cb -0.19 -4.02 -0.25 0.00 0.50 0.00 0.00 46.19 42.23 1pis s LEU 118 CO -0.13 -1.53 0.99 0.44 -1.32 0.00 0.00 176.35 174.81 1pis h ASP 119 N -0.78 0.31 0.00 3.68 3.32 -1.86 -3.50 116.42 117.59 1pis h ASP 119 Ca -0.45 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 55.77 1pis h ASP 119 Cb 1.25 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1pis h ASP 119 CO 0.61 1.10 0.00 1.07 -1.72 0.00 0.00 179.24 180.31 1pis n THR 120 N -4.39 0.00 0.74 0.35 5.66 -1.26 -4.79 114.28 110.59 1pis n THR 120 Ca -0.11 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.91 1pis n THR 120 Cb 0.59 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.46 1pis n THR 120 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1pis n LYS 121 N 0.00 1.75 0.00 1.09 5.02 -1.26 -4.75 118.16 120.01 1pis n LYS 121 Ca 0.00 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.64 1pis n LYS 121 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1pis n LYS 121 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pis n LYS 122 N 0.11 0.00 -0.68 1.97 4.76 -1.26 -4.98 118.16 118.07 1pis n LYS 122 Ca 0.06 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.54 1pis n LYS 122 Cb 0.40 0.00 0.29 0.00 -1.84 0.00 0.00 35.03 33.88 1pis n LYS 122 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1pis n TYR 123 N -2.02 1.46 -0.82 2.13 4.01 -1.26 -5.13 117.16 115.53 1pis n TYR 123 Ca 0.00 -0.98 0.00 0.00 -0.16 0.00 0.00 57.90 56.76 1pis n TYR 123 Cb 0.00 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 1pis n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40