#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2key n ASN 2 N 0.00 -5.77 -4.77 3.17 3.02 -1.26 -4.98 115.26 104.67 2key n ASN 2 Ca 0.00 0.79 -0.39 0.00 -0.03 0.00 0.00 54.58 54.95 2key n ASN 2 Cb 0.00 -3.73 -0.02 0.00 -0.61 0.00 0.00 39.78 35.42 2key n ASN 2 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2key s ASN 3 N -1.22 6.53 -0.54 6.41 0.01 -1.26 -4.93 114.94 119.94 2key s ASN 3 Ca 0.03 2.46 -0.27 0.00 -0.71 0.00 0.00 52.86 54.37 2key s ASN 3 Cb -0.01 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 2key s ASN 3 CO 0.49 -0.68 1.86 -2.84 -1.51 0.00 0.00 177.10 174.42 2key s PRO 4 N -2.18 2.78 -0.32 -0.60 0.02 -1.26 -3.65 135.00 129.78 2key s PRO 4 Ca 0.55 0.83 -0.09 0.00 0.02 0.00 0.00 61.00 62.32 2key s PRO 4 Cb -0.34 -4.35 0.01 0.00 0.02 0.00 0.00 34.50 29.85 2key s PRO 4 CO 0.43 -2.54 0.41 0.43 -0.33 0.00 0.00 177.00 175.40 2key n SER 5 N 12.28 -5.94 -0.23 2.53 7.64 -1.26 -4.91 113.62 123.73 2key n SER 5 Ca 0.22 0.29 0.10 0.00 1.01 0.00 0.00 58.87 60.49 2key n SER 5 Cb 0.51 -3.91 0.51 0.00 -1.01 0.00 0.00 64.21 60.31 2key n SER 5 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2key n ASP 6 N -0.55 0.71 -4.29 6.43 2.03 -1.24 -4.72 116.55 114.92 2key n ASP 6 Ca 0.07 -1.51 -0.21 0.00 0.52 0.00 0.00 54.79 53.66 2key n ASP 6 Cb 0.34 -0.04 -0.12 0.00 -0.72 0.00 0.00 41.12 40.58 2key n ASP 6 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2key s PHE 7 N -1.92 1.67 0.32 -0.67 0.40 -1.26 -5.04 117.98 111.49 2key s PHE 7 Ca 0.31 -0.48 0.31 0.00 -0.60 0.00 0.00 56.93 56.47 2key s PHE 7 Cb 0.15 -0.87 1.46 0.00 0.51 0.00 0.00 43.02 44.28 2key s PHE 7 CO 0.25 0.24 2.05 1.57 0.70 0.00 0.00 175.22 180.02 2key h LYS 8 N 3.58 0.00 -4.01 0.44 5.09 -1.99 -3.43 116.57 116.25 2key h LYS 8 Ca -0.43 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.16 2key h LYS 8 Cb 1.20 0.00 -0.20 0.00 0.10 0.00 0.00 32.23 33.33 2key h LYS 8 CO 0.47 0.10 -0.68 0.45 -2.09 0.00 0.00 179.45 177.70 2key s SER 9 N -5.92 0.29 0.44 7.07 0.15 -1.26 -4.97 113.70 109.50 2key s SER 9 Ca -0.02 -0.60 0.17 0.00 0.70 0.00 0.00 55.95 56.21 2key s SER 9 Cb 0.12 0.13 1.00 0.00 -1.71 0.00 0.00 66.02 65.55 2key s SER 9 CO 0.56 -0.38 1.94 -0.26 1.20 0.00 0.00 173.24 176.30 2key h PHE 10 N 4.27 0.00 -0.98 3.44 0.04 -1.96 -1.88 116.94 119.86 2key h PHE 10 Ca -0.32 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.52 2key h PHE 10 Cb 1.19 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.27 2key h PHE 10 CO 0.62 0.25 0.63 1.25 -0.60 0.00 0.00 178.31 180.46 2key h HIS 11 N 0.00 1.16 -0.36 -0.55 -0.00 -1.95 0.29 115.15 113.74 2key h HIS 11 Ca -0.00 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.26 2key h HIS 11 Cb 0.48 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 2key h HIS 11 CO 0.00 0.57 -0.32 -0.44 -0.00 0.00 0.00 177.93 177.74 2key h ASP 12 N 1.11 0.83 -0.16 3.26 5.19 -1.75 0.74 116.42 125.63 2key h ASP 12 Ca 0.44 -0.34 -0.08 0.00 -0.62 0.00 0.00 57.03 56.43 2key h ASP 12 Cb 0.24 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 2key h ASP 12 CO -0.18 1.08 -0.20 0.15 -3.12 0.00 0.00 179.24 176.97 2key h PHE 13 N 0.67 0.52 -0.30 4.55 3.57 -1.16 -3.03 116.94 121.75 2key h PHE 13 Ca 0.07 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2key h PHE 13 Cb 0.86 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2key h PHE 13 CO 0.05 0.82 0.19 0.28 -2.23 0.00 0.00 178.31 177.42 2key h VAL 14 N 0.06 1.09 -0.56 1.41 2.07 -0.35 -2.75 116.25 117.22 2key h VAL 14 Ca 0.02 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.46 2key h VAL 14 Cb 0.75 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2key h VAL 14 CO 0.05 0.08 0.38 0.00 0.02 0.00 0.00 177.57 178.10 2key h ALA 15 N 1.10 2.02 -0.36 1.67 0.00 -0.87 0.65 119.26 123.47 2key h ALA 15 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2key h ALA 15 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2key h ALA 15 CO -0.02 -0.14 0.21 1.03 0.00 0.00 0.00 179.25 180.32 2key h SER 16 N 0.38 0.44 0.25 0.00 0.87 -1.36 0.48 113.55 114.61 2key h SER 16 Ca 0.26 -0.07 -0.29 0.00 -1.23 0.00 0.00 61.79 60.46 2key h SER 16 Cb 0.51 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2key h SER 16 CO -0.07 0.38 -1.21 0.22 -0.53 0.00 0.00 176.83 175.63 2key h TYR 17 N 0.46 0.87 -0.78 2.24 3.20 -1.31 -3.35 116.97 118.31 2key h TYR 17 Ca 0.13 -0.55 0.05 0.00 3.14 0.00 0.00 58.73 61.50 2key h TYR 17 Cb 0.03 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 2key h TYR 17 CO -0.03 1.40 0.47 1.98 -1.64 0.00 0.00 178.16 180.34 2key h MET 18 N 0.23 0.85 0.00 1.82 4.05 0.56 -1.94 114.93 120.50 2key h MET 18 Ca -0.17 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.20 2key h MET 18 Cb 1.88 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 32.49 2key h MET 18 CO 0.22 0.56 -0.01 1.57 0.23 0.00 0.00 176.91 179.48 2key h LYS 19 N 0.88 0.00 0.85 0.39 5.09 -1.04 -1.63 116.57 121.11 2key h LYS 19 Ca 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 61.04 2key h LYS 19 Cb 0.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.47 2key h LYS 19 CO -0.16 0.01 -0.49 1.15 -2.09 0.00 0.00 179.45 177.88 2key h THR 20 N 0.00 0.00 0.00 0.07 2.02 -1.53 -0.74 112.91 112.73 2key h THR 20 Ca -0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 2key h THR 20 Cb 0.12 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 2key h THR 20 CO 0.00 0.00 -0.87 0.10 0.37 0.00 0.00 175.52 175.12 2key h TYR 21 N -1.24 0.00 0.00 3.16 -0.00 -1.69 -3.18 116.97 114.02 2key h TYR 21 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.62 2key h TYR 21 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.71 2key h TYR 21 CO -0.07 0.62 0.00 0.77 -0.00 0.00 0.00 178.16 179.48 2key h SER 22 N 0.00 0.00 0.32 0.10 0.02 -1.28 -1.34 113.55 111.38 2key h SER 22 Ca -0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2key h SER 22 Cb 1.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.06 2key h SER 22 CO 0.07 0.00 -0.12 -0.09 -1.14 0.00 0.00 176.83 175.55 2key h ARG 23 N 0.00 0.00 -0.47 3.45 1.12 -1.11 -1.75 114.38 115.62 2key h ARG 23 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 2key h ARG 23 Cb 0.40 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.32 2key h ARG 23 CO 0.00 0.12 0.06 0.54 -3.11 0.00 0.00 179.97 177.58 2key n ARG 24 N -3.72 3.55 -3.60 0.20 1.74 -0.51 -4.95 116.66 109.37 2key n ARG 24 Ca -0.02 -3.02 -0.20 0.00 -0.77 0.00 0.00 57.85 53.84 2key n ARG 24 Cb 0.23 -2.05 -0.02 0.00 -1.02 0.00 0.00 32.46 29.60 2key n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2key s LEU 25 N -2.90 3.75 0.72 0.55 1.43 -0.66 -5.12 118.68 116.45 2key s LEU 25 Ca 0.49 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 2key s LEU 25 Cb 0.39 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 44.17 2key s LEU 25 CO 0.11 -0.43 1.09 -1.61 0.23 0.00 0.00 176.35 175.74 2key s GLU 26 N -4.10 2.67 0.20 1.70 2.02 -1.26 -4.82 118.70 115.11 2key s GLU 26 Ca 0.44 0.33 -0.11 0.00 0.02 0.00 0.00 54.97 55.65 2key s GLU 26 Cb -0.07 -2.04 0.16 0.00 0.10 0.00 0.00 34.13 32.28 2key s GLU 26 CO 0.29 -1.12 1.85 0.82 0.02 0.00 0.00 175.26 177.12 2key h ILE 27 N -0.69 1.12 -0.34 -1.63 1.08 -1.98 0.33 117.51 115.40 2key h ILE 27 Ca -0.45 -0.30 -0.07 0.00 -0.39 0.00 0.00 64.86 63.65 2key h ILE 27 Cb 1.27 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 2key h ILE 27 CO 0.64 0.16 -0.08 1.23 -0.69 0.00 0.00 178.15 179.40 2key h GLY 28 N 0.87 0.61 0.57 5.37 0.00 -1.97 0.81 103.07 109.32 2key h GLY 28 Ca 0.26 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 2key h GLY 28 CO -0.09 0.38 -0.38 -0.84 0.00 0.00 0.00 176.54 175.61 2key h THR 29 N 0.53 1.51 -0.18 4.70 2.02 -1.77 -1.58 112.91 118.14 2key h THR 29 Ca 0.10 -2.02 0.02 0.00 0.77 0.00 0.00 66.41 65.29 2key h THR 29 Cb 0.47 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.58 2key h THR 29 CO 0.02 0.56 0.03 0.15 0.37 0.00 0.00 175.52 176.65 2key h PHE 30 N -0.37 0.04 0.00 3.16 3.04 -0.31 -2.16 116.94 120.34 2key h PHE 30 Ca -0.05 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 2key h PHE 30 Cb 1.13 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.65 2key h PHE 30 CO 0.17 0.01 -0.05 -0.09 -2.02 0.00 0.00 178.31 176.33 2key h ARG 31 N 0.09 0.00 -0.00 1.11 2.43 -0.89 -2.62 114.38 114.49 2key h ARG 31 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2key h ARG 31 Cb 0.08 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2key h ARG 31 CO -0.11 0.05 0.01 1.25 -1.51 0.00 0.00 179.97 179.66 2key h HIS 32 N 0.00 0.00 -0.55 2.20 2.76 -0.59 -2.02 115.15 116.95 2key h HIS 32 Ca -0.00 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.81 2key h HIS 32 Cb 0.42 0.00 -0.41 0.00 1.55 0.00 0.00 27.41 28.97 2key h HIS 32 CO 0.00 0.00 -1.00 -2.39 -1.30 0.00 0.00 177.93 173.24 2key n HIS 33 N -3.52 1.81 0.00 5.26 1.44 -0.99 -4.84 115.22 114.38 2key n HIS 33 Ca -0.03 -2.15 0.00 0.00 -2.01 0.00 0.00 57.72 53.53 2key n HIS 33 Cb 0.09 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 29.92 2key n HIS 33 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2key n LYS 34 N -0.64 0.00 0.26 -1.40 4.76 -0.76 -4.66 118.16 115.72 2key n LYS 34 Ca 0.21 0.16 0.15 0.00 -2.87 0.00 0.00 58.31 55.96 2key n LYS 34 Cb 0.87 -0.62 0.56 0.00 -1.84 0.00 0.00 35.03 34.00 2key n LYS 34 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2key h SER 35 N 0.00 0.00 0.32 4.39 0.02 -1.91 -3.26 113.55 113.11 2key h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2key h SER 35 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2key h SER 35 CO 0.00 0.05 -0.45 0.00 -1.14 0.00 0.00 176.83 175.28 2key h MET 37 N -0.82 0.00 -0.26 0.00 2.86 -1.83 -3.16 114.93 111.72 2key h MET 37 Ca -0.02 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 2key h MET 37 Cb 0.76 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 2key h MET 37 CO -0.14 0.21 -0.20 -0.09 1.06 0.00 0.00 176.91 177.75 2key h ARG 38 N 0.00 0.60 0.00 1.72 1.12 -1.40 -3.12 114.38 113.30 2key h ARG 38 Ca -0.00 -0.29 0.00 0.00 -1.11 0.00 0.00 59.98 58.58 2key h ARG 38 Cb 0.54 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 2key h ARG 38 CO 0.03 0.88 -0.10 0.36 -3.11 0.00 0.00 179.97 178.03 2key n LYS 39 N -4.38 0.18 -0.01 0.20 2.85 -0.69 -3.45 118.16 112.86 2key n LYS 39 Ca -0.04 0.13 0.10 0.00 -1.05 0.00 0.00 58.31 57.45 2key n LYS 39 Cb 0.41 -1.69 0.54 0.00 -0.65 0.00 0.00 35.03 33.63 2key n LYS 39 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2key n PHE 40 N -2.00 0.02 -2.89 5.58 3.01 -1.18 -4.64 117.46 115.37 2key n PHE 40 Ca 0.06 -0.01 -0.43 0.00 1.01 0.00 0.00 57.45 58.07 2key n PHE 40 Cb 0.40 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 2key n PHE 40 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2key s LYS 41 N -1.98 3.42 -0.09 -1.08 2.36 -1.22 -4.70 119.74 116.45 2key s LYS 41 Ca 0.29 -1.40 -0.08 0.00 -2.55 0.00 0.00 55.97 52.22 2key s LYS 41 Cb 0.13 -4.69 -0.03 0.00 -1.05 0.00 0.00 37.83 32.19 2key s LYS 41 CO 0.22 -1.81 -0.16 0.39 1.55 0.00 0.00 175.35 175.55 2key n GLU 42 N 7.06 0.26 -3.67 4.03 -0.58 -1.26 -5.00 120.64 121.48 2key n GLU 42 Ca 0.14 0.17 -0.25 0.00 -0.42 0.00 0.00 57.16 56.80 2key n GLU 42 Cb 0.48 -1.03 -0.17 0.00 -0.57 0.00 0.00 31.44 30.14 2key n GLU 42 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2key s TYR 43 N -1.90 0.43 -1.20 -0.32 2.02 -1.26 -5.05 117.35 110.07 2key s TYR 43 Ca -0.13 -0.36 -0.13 0.00 -0.37 0.00 0.00 57.07 56.08 2key s TYR 43 Cb 0.02 -0.76 0.19 0.00 -0.40 0.00 0.00 41.96 41.01 2key s TYR 43 CO 0.19 -0.48 1.40 0.00 -1.57 0.00 0.00 175.55 175.10 2key s GLU 45 N 0.95 -1.30 -1.10 0.00 2.12 -1.26 -4.86 118.70 113.25 2key s GLU 45 Ca 0.40 -0.16 -0.22 0.00 0.36 0.00 0.00 54.97 55.35 2key s GLU 45 Cb -0.03 -1.60 -0.01 0.00 0.26 0.00 0.00 34.13 32.75 2key s GLU 45 CO -0.01 -3.75 1.78 0.20 -0.54 0.00 0.00 175.26 172.94 2key s GLY 46 N -4.02 0.76 -0.49 -1.50 0.00 -1.26 -4.93 107.32 95.89 2key s GLY 46 Ca 0.72 -2.19 -0.25 0.00 0.00 0.00 0.00 44.72 43.00 2key s GLY 46 CO 0.56 3.15 0.93 -2.27 0.00 0.00 0.00 173.10 175.46 2key s LEU 47 N 7.82 4.03 0.89 0.66 0.20 -1.26 -5.04 118.68 125.98 2key s LEU 47 Ca 0.60 -0.01 -0.13 0.00 0.69 0.00 0.00 54.13 55.28 2key s LEU 47 Cb -0.01 -3.09 0.17 0.00 -0.43 0.00 0.00 46.19 42.83 2key s LEU 47 CO 0.03 -1.10 1.24 -1.10 -0.29 0.00 0.00 176.35 175.13 2key s GLN 48 N 3.81 1.01 0.25 1.98 1.11 -1.26 -4.85 119.66 121.71 2key s GLN 48 Ca 0.35 -0.48 -0.05 0.00 0.01 0.00 0.00 55.36 55.19 2key s GLN 48 Cb -0.11 -1.95 0.30 0.00 -1.01 0.00 0.00 33.01 30.24 2key s GLN 48 CO 0.24 -2.12 1.90 0.27 0.01 0.00 0.00 175.29 175.60 2key h PHE 49 N -1.35 1.18 -0.36 0.91 -0.00 -1.96 -0.90 116.94 114.46 2key h PHE 49 Ca -0.43 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.57 2key h PHE 49 Cb 1.25 -0.39 0.00 0.00 -0.00 0.00 0.00 35.95 36.81 2key h PHE 49 CO -0.78 0.69 0.00 1.58 -0.00 0.00 0.00 178.31 179.80 2key n HIS 50 N -4.46 0.48 0.04 6.09 -0.00 -1.26 -3.26 115.22 112.85 2key n HIS 50 Ca 0.12 -0.24 0.02 0.00 -0.00 0.00 0.00 57.72 57.62 2key n HIS 50 Cb 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.00 2key n HIS 50 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2key h GLU 51 N 2.39 0.00 -5.12 1.57 4.39 -1.51 -3.41 114.58 112.89 2key h GLU 51 Ca 0.00 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.01 2key h GLU 51 Cb 0.54 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.03 2key h GLU 51 CO 0.00 0.24 1.00 -1.17 -1.16 0.00 0.00 179.01 177.93 2key s LEU 52 N -5.72 4.87 0.46 1.33 1.98 -1.19 -4.67 118.68 115.73 2key s LEU 52 Ca -0.02 -2.12 0.03 0.00 -2.89 0.00 0.00 54.13 49.12 2key s LEU 52 Cb 0.09 -2.42 -0.02 0.00 0.66 0.00 0.00 46.19 44.49 2key s LEU 52 CO 0.81 -1.07 0.05 0.42 -1.89 0.00 0.00 176.35 174.67 2key s THR 53 N 2.81 1.02 0.31 3.68 -4.23 -1.26 -4.74 115.64 113.22 2key s THR 53 Ca 0.36 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.86 2key s THR 53 Cb -0.04 -2.32 0.22 0.00 1.34 0.00 0.00 72.50 71.70 2key s THR 53 CO -0.08 0.00 1.92 -0.08 -0.54 0.00 0.00 174.62 175.84 2key h GLU 54 N 1.58 0.91 -0.54 3.99 4.81 -1.94 -1.12 114.58 122.26 2key h GLU 54 Ca -0.41 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2key h GLU 54 Cb 1.29 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2key h GLU 54 CO 0.68 0.68 0.33 0.22 -0.73 0.00 0.00 179.01 180.19 2key h ASP 55 N 0.91 0.65 0.15 1.04 3.58 -1.95 0.16 116.42 120.95 2key h ASP 55 Ca 0.23 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2key h ASP 55 Cb 0.06 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.94 2key h ASP 55 CO -0.03 0.52 -0.08 0.15 -2.88 0.00 0.00 179.24 176.92 2key h PHE 56 N 0.73 -0.20 -0.72 0.28 3.57 -1.68 0.14 116.94 119.05 2key h PHE 56 Ca 0.19 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.73 2key h PHE 56 Cb -0.01 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2key h PHE 56 CO -0.02 -0.12 0.44 -0.07 -2.23 0.00 0.00 178.31 176.31 2key h LEU 57 N -0.21 0.72 -0.01 0.59 -0.00 -0.99 0.17 115.31 115.58 2key h LEU 57 Ca -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2key h LEU 57 Cb 0.17 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2key h LEU 57 CO 0.03 0.49 0.00 -0.09 -0.00 0.00 0.00 178.44 178.87 2key h ARG 58 N 0.86 0.02 -0.34 1.13 2.43 -0.40 -0.63 114.38 117.43 2key h ARG 58 Ca 0.30 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.31 2key h ARG 58 Cb 0.06 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2key h ARG 58 CO -0.13 0.25 -0.39 0.22 -1.51 0.00 0.00 179.97 178.42 2key h ASP 59 N -0.22 0.88 -0.43 -3.80 3.58 -0.52 -1.27 116.42 114.63 2key h ASP 59 Ca 0.00 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 56.98 2key h ASP 59 Cb 0.24 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2key h ASP 59 CO 0.00 1.16 0.03 0.22 -2.88 0.00 0.00 179.24 177.77 2key h TYR 60 N 0.68 0.87 0.23 0.28 3.20 -0.65 0.14 116.97 121.71 2key h TYR 60 Ca 0.06 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2key h TYR 60 Cb 0.96 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.99 2key h TYR 60 CO 0.05 0.78 -0.11 1.25 -1.64 0.00 0.00 178.16 178.49 2key h LEU 61 N 0.77 -0.27 -0.57 2.82 5.85 -0.82 -0.59 115.31 122.50 2key h LEU 61 Ca 0.15 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2key h LEU 61 Cb 0.42 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2key h LEU 61 CO 0.02 -0.13 0.37 0.40 -0.34 0.00 0.00 178.44 178.75 2key h ILE 62 N -0.38 1.15 -0.53 4.05 1.08 -0.93 0.16 117.51 122.11 2key h ILE 62 Ca -0.03 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.19 2key h ILE 62 Cb 0.29 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.32 2key h ILE 62 CO 0.05 0.14 0.31 0.22 -0.69 0.00 0.00 178.15 178.19 2key h TYR 63 N 0.77 0.59 -0.02 1.37 3.20 -0.66 0.27 116.97 122.48 2key h TYR 63 Ca 0.21 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 2key h TYR 63 Cb -0.08 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 2key h TYR 63 CO -0.03 0.33 0.00 1.98 -1.64 0.00 0.00 178.16 178.80 2key h MET 64 N 0.62 0.03 0.01 1.82 4.05 -0.63 0.40 114.93 121.23 2key h MET 64 Ca 0.21 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.64 2key h MET 64 Cb 0.03 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 2key h MET 64 CO -0.10 0.28 -0.07 -0.22 0.23 0.00 0.00 176.91 177.03 2key h LYS 65 N -0.22 -0.13 0.00 0.39 3.11 -0.49 -0.63 116.57 118.61 2key h LYS 65 Ca 0.01 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2key h LYS 65 Cb 0.26 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 2key h LYS 65 CO 0.00 -0.08 -0.04 0.87 -2.81 0.00 0.00 179.45 177.38 2key h LYS 66 N -0.13 0.00 -0.12 1.90 1.79 -0.45 -2.89 116.57 116.66 2key h LYS 66 Ca 0.03 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.33 2key h LYS 66 Cb 0.16 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2key h LYS 66 CO -0.07 0.00 -0.56 1.15 -1.08 0.00 0.00 179.45 178.89 2key h THR 67 N -0.59 1.34 0.00 -0.16 2.02 -1.10 -3.09 112.91 111.34 2key h THR 67 Ca 0.00 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.32 2key h THR 67 Cb 0.04 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2key h THR 67 CO 0.00 0.57 -0.35 -0.07 0.37 0.00 0.00 175.52 176.04 2key h LEU 68 N 0.22 0.00 -1.05 2.58 3.38 -1.18 -3.48 115.31 115.79 2key h LEU 68 Ca -0.04 -0.10 -0.34 0.00 0.09 0.00 0.00 57.88 57.49 2key h LEU 68 Cb 1.21 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.09 2key h LEU 68 CO 0.12 0.05 -0.62 0.00 0.09 0.00 0.00 178.44 178.08 2key s ASN 70 N -3.49 6.69 0.81 0.00 -0.87 -0.45 -4.98 114.94 112.65 2key s ASN 70 Ca 0.40 0.92 -0.12 0.00 -1.57 0.00 0.00 52.86 52.50 2key s ASN 70 Cb -0.18 -2.23 0.08 0.00 -0.02 0.00 0.00 41.25 38.90 2key s ASN 70 CO 0.64 0.05 1.12 0.00 -2.57 0.00 0.00 177.10 176.34 2key s ALA 71 N -1.60 2.32 0.13 0.60 0.00 -1.26 -4.13 121.76 117.82 2key s ALA 71 Ca 0.41 -0.38 -0.24 0.00 0.00 0.00 0.00 51.96 51.75 2key s ALA 71 Cb -0.13 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 2key s ALA 71 CO 0.20 -1.74 1.65 0.38 0.00 0.00 0.00 175.76 176.25 2key h ASP 72 N -1.10 -0.64 0.23 0.00 2.03 -1.98 0.11 116.42 115.07 2key h ASP 72 Ca -0.47 0.10 -0.06 0.00 -0.73 0.00 0.00 57.03 55.87 2key h ASP 72 Cb 1.29 0.29 -0.01 0.00 -0.83 0.00 0.00 39.33 40.07 2key h ASP 72 CO 0.62 -0.26 -0.27 0.28 -1.03 0.00 0.00 179.24 178.58 2key h SER 73 N -0.28 0.06 -0.39 4.15 0.02 -1.98 0.17 113.55 115.30 2key h SER 73 Ca 0.09 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 2key h SER 73 Cb 0.41 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2key h SER 73 CO -0.26 0.33 -0.32 0.74 -1.14 0.00 0.00 176.83 176.18 2key h THR 74 N 0.06 1.28 -0.24 -2.27 2.02 -1.70 -1.89 112.91 110.16 2key h THR 74 Ca 0.01 -1.49 -0.14 0.00 0.77 0.00 0.00 66.41 65.56 2key h THR 74 Cb 0.50 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2key h THR 74 CO 0.04 0.50 -0.40 0.00 0.37 0.00 0.00 175.52 176.02 2key h ALA 75 N 0.78 0.37 -0.36 6.16 0.00 -0.16 -2.88 119.26 123.18 2key h ALA 75 Ca 0.07 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.56 2key h ALA 75 Cb 0.90 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2key h ALA 75 CO 0.08 0.48 0.16 1.96 0.00 0.00 0.00 179.25 181.93 2key h GLN 76 N 0.42 0.32 0.00 0.00 1.08 -0.64 0.01 115.11 116.30 2key h GLN 76 Ca 0.02 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 2key h GLN 76 Cb 1.00 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 2key h GLN 76 CO 0.09 0.21 -0.36 0.07 -0.95 0.00 0.00 178.83 177.90 2key h ARG 77 N 0.33 0.00 -0.01 1.46 0.11 -1.37 0.12 114.38 115.01 2key h ARG 77 Ca 0.15 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.23 2key h ARG 77 Cb 0.09 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.17 2key h ARG 77 CO -0.13 0.36 -0.01 -0.91 0.10 0.00 0.00 179.97 179.37 2key h ASN 78 N 0.00 0.03 0.10 0.08 2.35 -1.17 -3.07 115.58 113.89 2key h ASN 78 Ca -0.00 -0.53 -0.02 0.00 -0.55 0.00 0.00 56.30 55.19 2key h ASN 78 Cb 0.66 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 2key h ASN 78 CO 0.05 0.56 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.22 2key h LEU 79 N -0.50 0.00 -0.43 1.61 3.38 -0.74 -2.31 115.31 116.32 2key h LEU 79 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2key h LEU 79 Cb 0.55 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 2key h LEU 79 CO 0.00 0.10 0.11 0.28 0.09 0.00 0.00 178.44 179.02 2key h SER 80 N 0.00 0.06 -0.55 -0.43 0.02 -0.68 0.65 113.55 112.61 2key h SER 80 Ca -0.00 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2key h SER 80 Cb 0.18 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2key h SER 80 CO 0.01 0.07 0.28 0.71 -1.14 0.00 0.00 176.83 176.76 2key h THR 81 N 0.25 1.19 0.17 -2.27 1.35 -1.36 0.40 112.91 112.64 2key h THR 81 Ca 0.21 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 2key h THR 81 Cb 0.24 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 2key h THR 81 CO -0.25 0.22 -0.08 0.40 -0.25 0.00 0.00 175.52 175.56 2key h ILE 82 N 0.81 0.96 0.00 6.82 2.04 -1.39 -2.90 117.51 123.86 2key h ILE 82 Ca 0.20 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 2key h ILE 82 Cb 0.08 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2key h ILE 82 CO -0.03 0.17 -0.13 0.07 0.00 0.00 0.00 178.15 178.24 2key h LYS 83 N -0.61 0.00 0.11 2.37 5.09 -0.58 0.10 116.57 123.05 2key h LYS 83 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.71 2key h LYS 83 Cb 0.46 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.79 2key h LYS 83 CO 0.04 0.13 -0.05 0.82 -2.09 0.00 0.00 179.45 178.29 2key h ILE 84 N 0.00 0.94 -0.08 0.07 2.04 -0.88 0.24 117.51 119.84 2key h ILE 84 Ca -0.00 -0.18 -0.18 0.00 1.00 0.00 0.00 64.86 65.50 2key h ILE 84 Cb 0.23 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2key h ILE 84 CO 0.02 0.05 -0.71 0.10 0.00 0.00 0.00 178.15 177.60 2key h TYR 85 N -0.23 0.53 -0.40 1.37 -0.00 -1.19 -0.63 116.97 116.42 2key h TYR 85 Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 58.73 58.46 2key h TYR 85 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 36.73 36.82 2key h TYR 85 CO -0.04 0.97 0.13 0.28 -0.00 0.00 0.00 178.16 179.50 2key h VAL 86 N 0.27 1.21 -0.71 -0.90 2.07 -0.99 -0.69 116.25 116.52 2key h VAL 86 Ca -0.03 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 2key h VAL 86 Cb 1.28 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2key h VAL 86 CO 0.12 0.25 0.37 0.28 0.02 0.00 0.00 177.57 178.61 2key h SER 87 N 0.50 0.89 -0.33 0.57 0.02 -0.31 -0.73 113.55 114.16 2key h SER 87 Ca 0.13 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 2key h SER 87 Cb 0.25 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2key h SER 87 CO -0.00 0.73 -0.09 0.00 -1.14 0.00 0.00 176.83 176.33 2key h ALA 88 N 1.41 1.05 0.00 3.77 0.00 -0.84 -2.18 119.26 122.48 2key h ALA 88 Ca 0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2key h ALA 88 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2key h ALA 88 CO -0.04 0.58 -0.09 0.00 0.00 0.00 0.00 179.25 179.70 2key h ALA 89 N 1.22 1.07 0.01 0.00 0.00 -0.05 -2.25 119.26 119.26 2key h ALA 89 Ca 0.12 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 2key h ALA 89 Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2key h ALA 89 CO 0.03 0.11 -0.92 0.82 0.00 0.00 0.00 179.25 179.30 2key h ILE 90 N 0.00 1.62 -0.24 0.00 2.04 -0.54 -0.28 117.51 120.12 2key h ILE 90 Ca -0.00 -3.04 -0.08 0.00 1.00 0.00 0.00 64.86 62.74 2key h ILE 90 Cb 0.48 2.66 -0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2key h ILE 90 CO 0.01 0.87 -0.17 0.11 0.00 0.00 0.00 178.15 178.97 2key h LYS 91 N 0.02 0.54 -0.26 2.37 1.57 -1.10 -3.40 116.57 116.30 2key h LYS 91 Ca -0.02 -0.26 -0.27 0.00 -1.87 0.00 0.00 60.65 58.23 2key h LYS 91 Cb 1.61 -0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.73 2key h LYS 91 CO 0.12 0.83 -0.54 1.17 -0.57 0.00 0.00 179.45 180.46 2key n LYS 92 N -4.44 1.00 0.00 3.15 4.81 -1.18 -5.07 118.16 116.44 2key n LYS 92 Ca -0.04 -2.11 0.00 0.00 -0.87 0.00 0.00 58.31 55.28 2key n LYS 92 Cb 0.39 -1.13 0.00 0.00 0.02 0.00 0.00 35.03 34.31 2key n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2key n GLY 93 N 0.39 1.81 0.00 3.14 0.00 -0.19 -4.92 105.19 105.42 2key n GLY 93 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2key n GLY 93 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2key n TYR 94 N 0.00 0.00 -1.82 1.61 9.36 -0.72 -4.92 117.16 120.66 2key n TYR 94 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 2key n TYR 94 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 2key n TYR 94 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 2key s MET 95 N -0.99 4.17 0.09 2.98 -1.94 -1.20 -4.90 119.30 117.51 2key s MET 95 Ca 0.00 2.47 -0.25 0.00 -1.71 0.00 0.00 55.69 56.20 2key s MET 95 Cb 0.00 -3.48 -0.14 0.00 2.01 0.00 0.00 34.83 33.22 2key s MET 95 CO 0.00 -0.76 1.70 1.49 -0.01 0.00 0.00 175.02 177.44 2key h GLU 96 N 8.08 -0.23 -2.23 2.03 4.81 -1.91 -3.37 114.58 121.76 2key h GLU 96 Ca -0.44 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 58.91 2key h GLU 96 Cb 1.21 0.05 -0.16 0.00 0.63 0.00 0.00 28.75 30.48 2key h GLU 96 CO 0.94 -0.15 0.49 1.21 -0.73 0.00 0.00 179.01 180.76 2key s ASN 97 N -4.98 -0.38 0.26 1.04 2.47 -1.26 -4.97 114.94 107.11 2key s ASN 97 Ca -0.14 0.05 -0.27 0.00 0.42 0.00 0.00 52.86 52.92 2key s ASN 97 Cb 0.06 0.38 -0.09 0.00 -1.45 0.00 0.00 41.25 40.16 2key s ASN 97 CO 0.65 -0.60 0.89 1.51 -3.72 0.00 0.00 177.10 175.83 2key s ASP 98 N -2.34 7.42 0.00 -4.21 -4.77 -1.26 -4.92 116.67 106.59 2key s ASP 98 Ca 0.04 1.79 0.30 0.00 -3.30 0.00 0.00 52.55 51.38 2key s ASP 98 Cb -0.01 -2.56 1.44 0.00 -1.09 0.00 0.00 42.92 40.70 2key s ASP 98 CO -0.08 0.07 1.97 -0.81 0.70 0.00 0.00 175.17 177.03 2key n PRO 99 N 1.07 0.94 -0.24 2.11 -0.04 -1.26 -3.45 135.00 134.12 2key n PRO 99 Ca -0.01 -0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.27 2key n PRO 99 Cb 0.49 -1.49 0.24 0.00 -0.04 0.00 0.00 33.50 32.70 2key n PRO 99 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2key n PHE 100 N -0.80 0.64 -0.17 0.54 7.35 -1.26 -4.18 117.46 119.58 2key n PHE 100 Ca 0.18 -0.32 -0.04 0.00 -0.76 0.00 0.00 57.45 56.52 2key n PHE 100 Cb 0.23 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.09 2key n PHE 100 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2key h LYS 101 N 3.08 -0.09 0.00 -4.13 1.79 -1.97 -0.60 116.57 114.65 2key h LYS 101 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2key h LYS 101 Cb 0.70 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2key h LYS 101 CO 0.00 -0.06 -0.36 -0.44 -1.08 0.00 0.00 179.45 177.51 2key h ASP 102 N -0.09 0.00 0.77 0.86 5.19 -1.90 0.70 116.42 121.94 2key h ASP 102 Ca 0.24 -0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.50 2key h ASP 102 Cb 0.47 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 2key h ASP 102 CO -0.58 0.02 -0.58 -0.26 -3.12 0.00 0.00 179.24 174.72 2key h PHE 103 N 0.00 0.00 0.00 4.55 0.04 -1.58 -3.32 116.94 116.63 2key h PHE 103 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2key h PHE 103 Cb 0.91 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 2key h PHE 103 CO 0.00 0.58 -0.08 0.78 -0.60 0.00 0.00 178.31 178.99 2key h GLY 104 N 2.11 0.00 -5.35 -1.45 0.00 -1.04 -3.51 103.07 93.83 2key h GLY 104 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2key h GLY 104 CO 0.07 0.00 -1.13 -0.10 0.00 0.00 0.00 176.54 175.38 2key n LEU 105 N -2.86 -6.34 -4.68 3.11 0.00 0.23 -4.97 117.00 101.49 2key n LEU 105 Ca -0.01 1.65 -0.37 0.00 0.00 0.00 0.00 56.01 57.28 2key n LEU 105 Cb 0.04 -2.91 -0.09 0.00 0.00 0.00 0.00 43.42 40.46 2key n LEU 105 CO 0.02 -3.35 -0.09 -0.70 0.00 0.00 0.00 177.39 173.26 2key s GLU 106 N -0.95 4.13 -0.33 1.96 2.12 -1.26 -5.06 118.70 119.31 2key s GLU 106 Ca -0.12 -0.11 -0.20 0.00 0.36 0.00 0.00 54.97 54.90 2key s GLU 106 Cb 0.01 -3.52 -0.00 0.00 0.26 0.00 0.00 34.13 30.88 2key s GLU 106 CO 0.61 0.07 0.60 -1.01 -0.54 0.00 0.00 175.26 175.00 2key s HIS 107 N 1.00 3.19 0.73 5.30 3.76 -1.26 -5.05 115.29 122.95 2key s HIS 107 Ca 0.11 0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 55.34 2key s HIS 107 Cb -0.13 -3.02 0.03 0.00 1.11 0.00 0.00 32.58 30.56 2key s HIS 107 CO 0.05 -0.53 1.08 -1.01 -0.85 0.00 0.00 174.74 173.47 2key s HIS 108 N 2.59 3.08 -0.21 1.40 0.09 -1.26 -5.05 115.29 115.93 2key s HIS 108 Ca 0.23 1.25 -0.04 0.00 -0.00 0.00 0.00 55.06 56.50 2key s HIS 108 Cb -0.15 -2.98 -0.02 0.00 -0.00 0.00 0.00 32.58 29.43 2key s HIS 108 CO 0.13 -1.38 -0.02 -1.58 -0.00 0.00 0.00 174.74 171.89 2key s HIS 109 N -3.14 2.99 0.19 1.40 5.04 -1.26 -5.08 115.29 115.42 2key s HIS 109 Ca 0.59 -0.72 -0.30 0.00 -1.54 0.00 0.00 55.06 53.09 2key s HIS 109 Cb -0.13 -2.11 -0.09 0.00 0.04 0.00 0.00 32.58 30.29 2key s HIS 109 CO 0.54 -0.42 1.37 -3.38 -2.34 0.00 0.00 174.74 170.51 2key s HIS 110 N 1.31 3.20 -0.11 3.88 -3.43 -1.26 -4.93 115.29 113.94 2key s HIS 110 Ca 0.04 1.08 -0.25 0.00 -0.80 0.00 0.00 55.06 55.13 2key s HIS 110 Cb -0.14 -3.68 -0.22 0.00 -1.43 0.00 0.00 32.58 27.11 2key s HIS 110 CO -0.00 -2.24 0.76 1.25 -2.00 0.00 0.00 174.74 172.50 2key h HIS 111 N 5.74 -0.02 0.00 0.38 2.76 -2.07 -3.58 115.15 118.36 2key h HIS 111 Ca -0.44 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2key h HIS 111 Cb 1.21 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.18 2key h HIS 111 CO 0.63 0.77 0.00 1.58 -1.30 0.00 0.00 177.93 179.60