#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 0.20 -4.85 3.17 4.13 -1.26 -5.09 115.26 111.57 2key n ASN 2 Ca 0.00 0.27 -0.36 0.00 1.68 0.00 0.00 54.58 56.18 2key n ASN 2 Cb 0.00 0.11 -0.06 0.00 -1.54 0.00 0.00 39.78 38.29 2key n ASN 2 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2key s ASN 3 N -5.08 6.78 0.81 6.41 -0.87 -1.26 -5.09 114.94 116.64 2key s ASN 3 Ca 0.00 0.99 -0.12 0.00 -1.57 0.00 0.00 52.86 52.17 2key s ASN 3 Cb 0.00 -2.26 0.07 0.00 -0.02 0.00 0.00 41.25 39.05 2key s ASN 3 CO 0.00 0.16 1.11 -2.84 -2.57 0.00 0.00 177.10 172.95 2key s PRO 4 N -1.81 2.02 -1.21 -0.60 0.02 -1.26 -4.93 135.00 127.24 2key s PRO 4 Ca 0.34 0.55 -0.20 0.00 0.02 0.00 0.00 61.00 61.71 2key s PRO 4 Cb -0.15 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 2key s PRO 4 CO 0.18 -1.65 1.90 0.43 -0.33 0.00 0.00 177.00 177.53 2key n SER 5 N -3.44 3.81 -1.12 2.53 7.64 -1.26 -4.58 113.62 117.20 2key n SER 5 Ca 0.07 -2.80 0.12 0.00 1.01 0.00 0.00 58.87 57.27 2key n SER 5 Cb 0.57 -1.65 0.20 0.00 -1.01 0.00 0.00 64.21 62.32 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 10.05 3.36 -4.63 6.43 2.03 -1.26 -4.90 116.55 127.63 2key n ASP 6 Ca 0.48 -1.99 -0.41 0.00 0.52 0.00 0.00 54.79 53.39 2key n ASP 6 Cb 0.44 -0.20 -0.06 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 -1.60 3.30 -0.04 -0.67 0.08 -1.26 -4.93 117.98 112.86 2key s PHE 7 Ca 0.37 0.86 0.15 0.00 0.12 0.00 0.00 56.93 58.43 2key s PHE 7 Cb 0.22 -2.85 0.17 0.00 -0.57 0.00 0.00 43.02 39.99 2key s PHE 7 CO 0.32 -0.31 1.49 0.87 -0.10 0.00 0.00 175.22 177.49 2key h LYS 8 N 7.81 0.00 0.00 0.44 1.57 -1.90 -3.47 116.57 121.01 2key h LYS 8 Ca -0.27 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 2key h LYS 8 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 2key h LYS 8 CO 0.78 0.54 0.07 -1.13 -0.57 0.00 0.00 179.45 179.14 2key n SER 9 N -3.32 -0.74 -0.35 0.86 3.41 -1.25 -4.47 113.62 107.76 2key n SER 9 Ca 0.01 -1.58 0.01 0.00 -0.26 0.00 0.00 58.87 57.05 2key n SER 9 Cb 0.71 1.26 0.15 0.00 -0.26 0.00 0.00 64.21 66.06 2key n SER 9 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2key h PHE 10 N 1.35 1.14 0.00 7.33 -0.00 -1.78 -2.41 116.94 122.57 2key h PHE 10 Ca -0.11 0.03 -0.05 0.00 -0.00 0.00 0.00 57.97 57.84 2key h PHE 10 Cb 0.43 -0.38 -0.01 0.00 -0.00 0.00 0.00 35.95 36.00 2key h PHE 10 CO 0.00 0.62 -0.23 1.12 -0.00 0.00 0.00 178.31 179.82 2key h HIS 11 N 1.15 0.00 -0.01 6.09 2.07 -1.91 -2.24 115.15 120.30 2key h HIS 11 Ca 0.40 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.70 2key h HIS 11 Cb 0.10 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.10 2key h HIS 11 CO -0.01 0.23 -0.85 -0.44 -3.07 0.00 0.00 177.93 173.79 2key h ASP 12 N 0.00 0.76 -0.60 3.10 3.32 -1.83 -1.78 116.42 119.38 2key h ASP 12 Ca -0.00 -0.74 -0.03 0.00 0.02 0.00 0.00 57.03 56.28 2key h ASP 12 Cb 0.86 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2key h ASP 12 CO 0.03 1.40 0.26 0.15 -1.72 0.00 0.00 179.24 179.37 2key h PHE 13 N 0.19 0.90 0.30 4.55 3.04 -1.36 -2.72 116.94 121.84 2key h PHE 13 Ca -0.10 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.79 2key h PHE 13 Cb 1.53 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.74 2key h PHE 13 CO 0.12 0.70 -0.29 0.28 -2.02 0.00 0.00 178.31 177.10 2key h VAL 14 N 0.83 0.39 -0.26 1.41 2.07 -1.41 -1.96 116.25 117.32 2key h VAL 14 Ca 0.20 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.80 2key h VAL 14 Cb 0.16 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2key h VAL 14 CO -0.02 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.77 2key h ALA 15 N -0.03 2.17 0.09 1.67 0.00 -1.18 0.52 119.26 122.49 2key h ALA 15 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2key h ALA 15 Cb 0.56 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.39 2key h ALA 15 CO -0.05 -0.34 -0.66 1.03 0.00 0.00 0.00 179.25 179.23 2key h SER 16 N 0.00 0.42 0.09 0.00 0.87 -1.19 -2.80 113.55 110.94 2key h SER 16 Ca 0.13 -0.91 -0.29 0.00 -1.23 0.00 0.00 61.79 59.49 2key h SER 16 Cb 0.54 -0.13 0.03 0.00 -0.44 0.00 0.00 62.40 62.39 2key h SER 16 CO -0.00 1.29 -1.17 0.22 -0.53 0.00 0.00 176.83 176.64 2key h TYR 17 N -0.39 1.00 0.00 2.24 3.20 -0.59 -3.18 116.97 119.26 2key h TYR 17 Ca -0.11 -0.61 -0.02 0.00 3.14 0.00 0.00 58.73 61.13 2key h TYR 17 Cb 1.48 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.66 2key h TYR 17 CO 0.19 1.45 -0.11 0.52 -1.64 0.00 0.00 178.16 178.58 2key h MET 18 N 0.27 0.00 -1.01 1.82 2.86 -0.14 -2.02 114.93 116.71 2key h MET 18 Ca -0.17 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.74 2key h MET 18 Cb 1.85 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.45 2key h MET 18 CO 0.23 0.11 0.70 -0.22 1.06 0.00 0.00 176.91 178.78 2key h LYS 19 N 0.00 0.18 0.43 1.72 3.11 -1.47 -0.32 116.57 120.22 2key h LYS 19 Ca -0.00 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2key h LYS 19 Cb 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 2key h LYS 19 CO 0.01 0.12 -0.32 1.15 -2.81 0.00 0.00 179.45 177.61 2key h THR 20 N 0.18 0.35 -0.00 1.00 2.02 -1.53 -2.95 112.91 111.98 2key h THR 20 Ca 0.52 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.70 2key h THR 20 Cb 1.70 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2key h THR 20 CO -0.12 0.00 -0.35 0.00 0.37 0.00 0.00 175.52 175.42 2key n TYR 21 N -5.44 0.00 0.32 3.16 4.11 -0.94 -3.76 117.16 114.61 2key n TYR 21 Ca -0.11 0.00 0.20 0.00 -0.00 0.00 0.00 57.90 57.99 2key n TYR 21 Cb 0.34 -0.18 1.08 0.00 -0.00 0.00 0.00 39.34 40.58 2key n TYR 21 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2key h SER 22 N 0.68 0.00 0.69 9.48 0.87 -0.88 0.14 113.55 124.53 2key h SER 22 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2key h SER 22 Cb 0.50 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2key h SER 22 CO 0.00 0.00 -0.13 0.03 -0.53 0.00 0.00 176.83 176.20 2key h ARG 23 N 0.00 0.00 -0.25 2.24 3.08 -1.67 -2.94 114.38 114.85 2key h ARG 23 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2key h ARG 23 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2key h ARG 23 CO -0.00 0.13 0.00 0.54 -1.07 0.00 0.00 179.97 179.57 2key n ARG 24 N -3.39 2.80 -4.74 0.04 1.74 0.45 -4.96 116.66 108.60 2key n ARG 24 Ca -0.01 -2.21 -0.23 0.00 -0.77 0.00 0.00 57.85 54.63 2key n ARG 24 Cb 0.32 -1.40 -0.15 0.00 -1.02 0.00 0.00 32.46 30.21 2key n ARG 24 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2key s LEU 25 N -1.61 2.03 0.41 0.55 2.96 -1.08 -5.12 118.68 116.82 2key s LEU 25 Ca 0.25 -0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 53.62 2key s LEU 25 Cb 0.17 -0.81 -0.09 0.00 0.50 0.00 0.00 46.19 45.97 2key s LEU 25 CO 0.11 0.19 1.32 -1.61 -1.32 0.00 0.00 176.35 175.04 2key s GLU 26 N -0.36 3.95 0.35 1.98 2.02 -1.26 -4.87 118.70 120.51 2key s GLU 26 Ca 0.06 2.20 0.03 0.00 0.02 0.00 0.00 54.97 57.28 2key s GLU 26 Cb -0.06 -2.76 0.65 0.00 0.10 0.00 0.00 34.13 32.06 2key s GLU 26 CO -0.01 -0.53 1.98 0.82 0.02 0.00 0.00 175.26 177.55 2key h ILE 27 N 2.47 1.16 -0.37 -1.63 1.08 -1.98 -0.33 117.51 117.92 2key h ILE 27 Ca -0.50 -0.41 0.05 0.00 -0.39 0.00 0.00 64.86 63.61 2key h ILE 27 Cb 1.25 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 35.40 2key h ILE 27 CO 0.62 0.18 0.11 1.23 -0.69 0.00 0.00 178.15 179.60 2key h GLY 28 N 0.80 0.46 0.87 5.37 0.00 -1.99 0.12 103.07 108.70 2key h GLY 28 Ca 0.19 -0.06 -0.23 0.00 0.00 0.00 0.00 47.33 47.24 2key h GLY 28 CO -0.03 0.01 -0.98 0.00 0.00 0.00 0.00 176.54 175.53 2key h THR 29 N 0.25 1.44 -0.69 4.70 1.03 -1.86 -3.25 112.91 114.52 2key h THR 29 Ca 0.17 -2.53 0.09 0.00 -0.01 0.00 0.00 66.41 64.14 2key h THR 29 Cb 0.17 3.08 -0.07 0.00 -1.07 0.00 0.00 68.15 70.26 2key h THR 29 CO -0.20 0.73 0.33 0.15 -0.01 0.00 0.00 175.52 176.53 2key h PHE 30 N -0.18 0.60 0.00 0.00 3.57 -0.97 -1.87 116.94 118.09 2key h PHE 30 Ca -0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2key h PHE 30 Cb 1.76 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.33 2key h PHE 30 CO 0.17 0.21 0.00 0.07 -2.23 0.00 0.00 178.31 176.54 2key h ARG 31 N 0.57 0.00 -0.12 1.11 0.11 -0.84 -2.51 114.38 112.70 2key h ARG 31 Ca 0.34 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.45 2key h ARG 31 Cb 0.35 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 2key h ARG 31 CO -0.27 0.00 0.18 0.45 0.10 0.00 0.00 179.97 180.43 2key h HIS 32 N 0.00 0.00 0.00 4.08 3.86 -1.37 -0.66 115.15 121.06 2key h HIS 32 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2key h HIS 32 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 2key h HIS 32 CO 0.00 0.00 -0.69 0.72 0.86 0.00 0.00 177.93 178.82 2key n HIS 33 N -3.58 0.00 -0.03 2.45 8.25 -0.98 -4.43 115.22 116.91 2key n HIS 33 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2key n HIS 33 Cb 0.28 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 2key n HIS 33 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2key h LYS 34 N -0.69 -0.32 0.00 -0.41 3.11 -1.45 0.11 116.57 116.92 2key h LYS 34 Ca 0.00 0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.80 2key h LYS 34 Cb 0.69 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.99 2key h LYS 34 CO 0.00 -0.21 -0.27 0.77 -2.81 0.00 0.00 179.45 176.93 2key h SER 35 N -0.33 0.00 0.12 4.20 0.02 -1.36 -2.91 113.55 113.28 2key h SER 35 Ca 0.12 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.91 2key h SER 35 Cb 0.52 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.07 2key h SER 35 CO -0.39 0.27 -0.72 0.00 -1.14 0.00 0.00 176.83 174.86 2key h MET 37 N -0.48 0.00 0.00 0.00 2.86 -0.82 -0.66 114.93 115.83 2key h MET 37 Ca -0.13 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.39 2key h MET 37 Cb 1.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.19 2key h MET 37 CO 0.12 0.06 -0.58 0.00 1.06 0.00 0.00 176.91 177.57 2key h ARG 38 N 0.00 0.00 0.20 1.72 3.08 -1.58 -3.41 114.38 114.39 2key h ARG 38 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2key h ARG 38 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2key h ARG 38 CO 0.01 0.58 -0.37 -0.22 -1.07 0.00 0.00 179.97 178.90 2key h LYS 39 N 0.00 -0.58 -0.64 0.04 3.11 -0.93 -3.11 116.57 114.46 2key h LYS 39 Ca -0.01 0.04 0.12 0.00 -2.81 0.00 0.00 60.65 58.00 2key h LYS 39 Cb 1.40 0.13 -0.12 0.00 -1.00 0.00 0.00 32.23 32.64 2key h LYS 39 CO 0.08 -0.39 -0.21 0.35 -2.81 0.00 0.00 179.45 176.47 2key h PHE 40 N -0.60 -0.50 -5.79 1.91 3.57 -1.79 -3.47 116.94 110.27 2key h PHE 40 Ca -0.02 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2key h PHE 40 Cb 0.57 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 2key h PHE 40 CO -0.32 -0.31 -0.85 1.17 -2.23 0.00 0.00 178.31 175.76 2key n LYS 41 N -5.45 -2.07 0.00 1.11 4.81 -1.18 -5.03 118.16 110.36 2key n LYS 41 Ca 0.07 1.85 0.00 0.00 -0.87 0.00 0.00 58.31 59.36 2key n LYS 41 Cb 0.35 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.71 2key n LYS 41 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2key n GLU 42 N 1.57 0.00 -0.15 1.64 1.02 -1.26 -4.82 120.64 118.64 2key n GLU 42 Ca -0.08 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.12 2key n GLU 42 Cb 0.29 -0.12 0.13 0.00 -0.02 0.00 0.00 31.44 31.71 2key n GLU 42 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2key n TYR 43 N -0.48 0.28 -0.78 -0.32 4.02 -1.26 -4.92 117.16 113.70 2key n TYR 43 Ca 0.00 -0.74 0.00 0.00 -0.01 0.00 0.00 57.90 57.15 2key n TYR 43 Cb 0.00 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 2key n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2key s GLU 45 N -0.36 3.50 0.00 0.00 -6.30 -1.26 -3.91 118.70 110.37 2key s GLU 45 Ca 0.00 -0.33 0.00 0.00 -2.50 0.00 0.00 54.97 52.14 2key s GLU 45 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 34.13 31.18 2key s GLU 45 CO 0.00 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.22 2key n GLY 46 N 0.04 -0.96 0.64 -1.50 0.00 -1.26 -4.73 105.19 97.41 2key n GLY 46 Ca -0.04 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.88 2key n GLY 46 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2key n LEU 47 N 0.00 -3.23 0.00 0.99 -0.00 -1.26 -3.59 117.00 109.91 2key n LEU 47 Ca 0.00 0.92 -0.13 0.00 -0.00 0.00 0.00 56.01 56.80 2key n LEU 47 Cb 0.00 -0.55 -0.01 0.00 -0.00 0.00 0.00 43.42 42.86 2key n LEU 47 CO 0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 177.39 177.11 2key n GLN 48 N -0.01 1.22 0.13 1.96 3.00 -1.26 -4.46 117.38 117.96 2key n GLN 48 Ca 0.00 -1.66 0.05 0.00 -0.01 0.00 0.00 57.00 55.38 2key n GLN 48 Cb 0.00 0.28 0.03 0.00 0.00 0.00 0.00 30.24 30.55 2key n GLN 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 2key h PHE 49 N 0.77 0.00 0.00 1.08 -1.00 -1.97 -2.61 116.94 113.22 2key h PHE 49 Ca -0.18 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.38 2key h PHE 49 Cb 0.60 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.12 2key h PHE 49 CO 0.00 0.35 -1.51 0.45 -1.61 0.00 0.00 178.31 175.99 2key h HIS 50 N 0.00 0.00 -0.01 -0.55 3.86 -1.97 -3.26 115.15 113.21 2key h HIS 50 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2key h HIS 50 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2key h HIS 50 CO 0.00 0.79 -0.11 -0.85 0.86 0.00 0.00 177.93 178.62 2key n GLU 51 N -2.99 1.04 -2.65 2.45 0.00 -1.23 -4.73 120.64 112.52 2key n GLU 51 Ca -0.12 -0.49 -0.42 0.00 0.00 0.00 0.00 57.16 56.12 2key n GLU 51 Cb 0.94 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.86 2key n GLU 51 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2key s LEU 52 N -2.30 3.63 0.31 -1.84 1.98 -0.98 -4.69 118.68 114.78 2key s LEU 52 Ca 0.32 -0.03 0.03 0.00 -2.89 0.00 0.00 54.13 51.56 2key s LEU 52 Cb 0.20 -3.06 -0.04 0.00 0.66 0.00 0.00 46.19 43.95 2key s LEU 52 CO 0.44 -1.42 0.15 0.42 -1.89 0.00 0.00 176.35 174.05 2key s THR 53 N 4.68 0.40 0.30 3.68 -4.23 -1.26 -4.90 115.64 114.31 2key s THR 53 Ca 0.39 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2key s THR 53 Cb -0.09 -2.52 0.28 0.00 1.34 0.00 0.00 72.50 71.50 2key s THR 53 CO 0.23 0.00 1.91 -0.08 -0.54 0.00 0.00 174.62 176.15 2key h GLU 54 N 2.20 1.03 -0.82 3.99 4.22 -1.94 -0.81 114.58 122.44 2key h GLU 54 Ca -0.34 -0.06 0.03 0.00 0.08 0.00 0.00 59.36 59.06 2key h GLU 54 Cb 1.25 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 2key h GLU 54 CO 0.54 0.68 0.53 0.22 -2.18 0.00 0.00 179.01 178.80 2key h ASP 55 N 1.06 0.89 -0.31 1.04 3.58 -1.95 -0.51 116.42 120.21 2key h ASP 55 Ca 0.38 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.77 2key h ASP 55 Cb 0.15 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2key h ASP 55 CO -0.14 0.61 -0.03 0.15 -2.88 0.00 0.00 179.24 176.96 2key h PHE 56 N 1.04 0.63 -0.84 0.28 3.57 -1.56 0.36 116.94 120.42 2key h PHE 56 Ca 0.33 -0.12 0.11 0.00 3.53 0.00 0.00 57.97 61.81 2key h PHE 56 Cb -0.01 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.49 2key h PHE 56 CO -0.02 0.72 0.48 -0.07 -2.23 0.00 0.00 178.31 177.19 2key h LEU 57 N 0.36 0.67 -0.37 0.59 -0.00 -0.81 0.61 115.31 116.35 2key h LEU 57 Ca 0.09 0.06 -0.07 0.00 -0.00 0.00 0.00 57.88 57.95 2key h LEU 57 Cb 0.49 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 2key h LEU 57 CO 0.02 0.36 -0.05 -0.09 -0.00 0.00 0.00 178.44 178.69 2key h ARG 58 N 0.78 0.69 -0.32 1.13 1.12 -0.75 -2.13 114.38 114.91 2key h ARG 58 Ca 0.42 -0.24 -0.11 0.00 -1.11 0.00 0.00 59.98 58.94 2key h ARG 58 Cb 0.43 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.33 2key h ARG 58 CO -0.27 0.82 -0.22 0.22 -3.11 0.00 0.00 179.97 177.41 2key h ASP 59 N 0.50 0.74 0.10 -3.80 3.58 0.85 -2.14 116.42 116.26 2key h ASP 59 Ca 0.10 -0.44 -0.08 0.00 0.42 0.00 0.00 57.03 57.03 2key h ASP 59 Cb 0.54 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2key h ASP 59 CO 0.03 1.02 -0.26 0.22 -2.88 0.00 0.00 179.24 177.36 2key h TYR 60 N 0.47 0.30 -0.07 0.28 3.20 0.12 0.19 116.97 121.46 2key h TYR 60 Ca 0.06 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2key h TYR 60 Cb 0.77 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2key h TYR 60 CO 0.07 0.52 0.01 1.25 -1.64 0.00 0.00 178.16 178.37 2key h LEU 61 N 0.25 -0.00 -0.29 2.82 5.85 -1.16 0.22 115.31 122.99 2key h LEU 61 Ca 0.04 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2key h LEU 61 Cb 0.60 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2key h LEU 61 CO 0.04 0.01 0.15 0.40 -0.34 0.00 0.00 178.44 178.71 2key h ILE 62 N 0.04 1.14 -0.84 4.05 2.04 -0.76 -2.20 117.51 120.98 2key h ILE 62 Ca 0.03 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.57 2key h ILE 62 Cb 0.03 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2key h ILE 62 CO -0.04 0.14 0.55 0.22 0.00 0.00 0.00 178.15 179.02 2key h TYR 63 N 0.35 0.95 -0.62 1.37 5.03 -0.44 0.45 116.97 124.05 2key h TYR 63 Ca 0.10 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 2key h TYR 63 Cb 0.09 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 38.03 2key h TYR 63 CO -0.03 0.50 0.31 1.98 -1.32 0.00 0.00 178.16 179.60 2key h MET 64 N 0.94 0.89 0.17 1.82 4.05 -0.16 0.54 114.93 123.17 2key h MET 64 Ca 0.36 -0.12 -0.29 0.00 -0.28 0.00 0.00 59.70 59.37 2key h MET 64 Cb 0.21 -0.16 0.03 0.00 -0.80 0.00 0.00 31.60 30.87 2key h MET 64 CO -0.13 0.71 -1.23 -0.22 0.23 0.00 0.00 176.91 176.27 2key h LYS 65 N 0.85 0.54 0.14 0.39 3.11 -0.69 0.29 116.57 121.20 2key h LYS 65 Ca 0.21 -0.80 -0.01 0.00 -2.81 0.00 0.00 60.65 57.25 2key h LYS 65 Cb 0.10 0.28 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 2key h LYS 65 CO -0.03 1.37 -0.07 -0.22 -2.81 0.00 0.00 179.45 177.69 2key h LYS 66 N 0.11 -0.18 0.00 1.90 1.63 -0.10 -3.12 116.57 116.81 2key h LYS 66 Ca -0.20 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.58 2key h LYS 66 Cb 1.93 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 33.60 2key h LYS 66 CO 0.23 -0.12 -0.15 1.15 -3.45 0.00 0.00 179.45 177.11 2key h THR 67 N -0.55 1.70 0.00 1.00 2.02 -1.11 -3.33 112.91 112.64 2key h THR 67 Ca -0.02 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.82 2key h THR 67 Cb 0.14 3.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 2key h THR 67 CO 0.03 0.58 0.00 0.18 0.37 0.00 0.00 175.52 176.69 2key n LEU 68 N -4.58 0.74 -1.65 2.58 4.77 -0.84 -4.90 117.00 113.12 2key n LEU 68 Ca -0.12 0.59 -0.16 0.00 -0.03 0.00 0.00 56.01 56.29 2key n LEU 68 Cb 0.51 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2key n LEU 68 CO 0.33 -0.25 -0.19 0.00 -1.33 0.00 0.00 177.39 175.95 2key s ASN 70 N -2.42 5.63 0.78 0.00 0.01 -0.09 -4.96 114.94 113.89 2key s ASN 70 Ca 0.00 -0.00 -0.12 0.00 -0.71 0.00 0.00 52.86 52.03 2key s ASN 70 Cb 0.00 -1.53 0.06 0.00 0.41 0.00 0.00 41.25 40.19 2key s ASN 70 CO 0.00 0.15 1.11 0.00 -1.51 0.00 0.00 177.10 176.85 2key s ALA 71 N -1.48 2.48 0.30 0.60 0.00 -1.26 -3.46 121.76 118.93 2key s ALA 71 Ca 0.30 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.93 2key s ALA 71 Cb -0.12 -3.05 0.55 0.00 0.00 0.00 0.00 23.12 20.50 2key s ALA 71 CO 0.23 -1.58 1.88 0.38 0.00 0.00 0.00 175.76 176.68 2key h ASP 72 N -0.98 0.91 -0.91 0.00 2.03 -1.97 -1.00 116.42 114.50 2key h ASP 72 Ca -0.47 0.02 0.02 0.00 -0.73 0.00 0.00 57.03 55.87 2key h ASP 72 Cb 1.28 -0.17 -0.05 0.00 -0.83 0.00 0.00 39.33 39.56 2key h ASP 72 CO 0.62 0.55 0.60 0.28 -1.03 0.00 0.00 179.24 180.26 2key h SER 73 N 1.01 1.03 -0.15 4.15 0.02 -1.99 0.31 113.55 117.93 2key h SER 73 Ca 0.43 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 61.19 2key h SER 73 Cb 0.32 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.62 2key h SER 73 CO -0.19 0.74 -0.58 0.74 -1.14 0.00 0.00 176.83 176.40 2key h THR 74 N 1.21 1.33 -0.22 -2.27 2.02 -1.71 -2.84 112.91 110.43 2key h THR 74 Ca 0.34 -1.83 -0.00 0.00 0.77 0.00 0.00 66.41 65.68 2key h THR 74 Cb -0.11 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2key h THR 74 CO -0.08 0.57 0.12 0.00 0.37 0.00 0.00 175.52 176.49 2key h ALA 75 N 0.53 0.28 -0.98 6.16 0.00 -0.69 -0.99 119.26 123.57 2key h ALA 75 Ca -0.03 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2key h ALA 75 Cb 1.21 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2key h ALA 75 CO 0.12 -0.19 0.63 1.96 0.00 0.00 0.00 179.25 181.77 2key h GLN 76 N 0.25 1.13 -0.31 0.00 1.08 -0.45 0.95 115.11 117.75 2key h GLN 76 Ca 0.08 -0.07 -0.17 0.00 -1.45 0.00 0.00 58.65 57.04 2key h GLN 76 Cb 0.06 -0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 27.23 2key h GLN 76 CO -0.01 0.75 -0.46 0.00 -0.95 0.00 0.00 178.83 178.16 2key h ARG 77 N 1.17 0.83 -0.58 1.46 -0.00 -1.22 0.15 114.38 116.18 2key h ARG 77 Ca 0.41 -0.47 -0.08 0.00 -0.50 0.00 0.00 59.98 59.33 2key h ARG 77 Cb 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.10 2key h ARG 77 CO -0.15 1.11 0.03 -0.91 0.00 0.00 0.00 179.97 180.05 2key h ASN 78 N 0.66 0.96 0.17 7.04 2.35 -0.51 -2.33 115.58 123.91 2key h ASN 78 Ca 0.04 -0.25 -0.11 0.00 -0.55 0.00 0.00 56.30 55.43 2key h ASN 78 Cb 1.04 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 2key h ASN 78 CO 0.10 1.00 -0.40 -0.07 -1.65 0.00 0.00 177.43 176.41 2key h LEU 79 N 0.92 0.32 -1.43 1.61 3.38 -0.66 -2.61 115.31 116.84 2key h LEU 79 Ca 0.17 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2key h LEU 79 Cb 0.49 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2key h LEU 79 CO 0.02 0.69 0.03 -1.28 0.09 0.00 0.00 178.44 177.99 2key h SER 80 N 0.26 0.37 0.99 -0.43 0.87 -0.19 -0.84 113.55 114.59 2key h SER 80 Ca 0.02 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 2key h SER 80 Cb 0.82 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 2key h SER 80 CO 0.07 0.41 -0.57 0.71 -0.53 0.00 0.00 176.83 176.92 2key h THR 81 N 0.40 1.13 -0.21 2.23 1.35 -1.15 -3.24 112.91 113.41 2key h THR 81 Ca 0.09 -2.15 -0.04 0.00 -0.55 0.00 0.00 66.41 63.76 2key h THR 81 Cb 0.22 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 2key h THR 81 CO 0.00 0.55 -0.01 0.40 -0.25 0.00 0.00 175.52 176.21 2key h ILE 82 N 0.00 1.26 -0.08 6.82 2.04 -0.83 -2.85 117.51 123.87 2key h ILE 82 Ca -0.01 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 64.95 2key h ILE 82 Cb 1.21 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2key h ILE 82 CO 0.07 0.28 0.06 0.07 0.00 0.00 0.00 178.15 178.64 2key h LYS 83 N 0.14 0.00 0.29 2.37 5.09 -1.34 -1.21 116.57 121.90 2key h LYS 83 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.78 2key h LYS 83 Cb 0.43 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.76 2key h LYS 83 CO 0.01 0.00 -0.14 0.82 -2.09 0.00 0.00 179.45 178.06 2key h ILE 84 N 0.00 0.73 -0.04 0.07 1.08 -1.53 0.29 117.51 118.11 2key h ILE 84 Ca 0.04 -0.10 -0.17 0.00 -0.39 0.00 0.00 64.86 64.24 2key h ILE 84 Cb 0.17 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 2key h ILE 84 CO -0.00 0.02 -0.71 0.10 -0.69 0.00 0.00 178.15 176.87 2key h TYR 85 N -0.44 0.32 -0.09 1.37 -0.00 -1.40 -0.28 116.97 116.45 2key h TYR 85 Ca -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 58.73 58.54 2key h TYR 85 Cb 0.33 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 37.01 2key h TYR 85 CO -0.04 0.87 0.02 0.28 -0.00 0.00 0.00 178.16 179.29 2key h VAL 86 N 0.16 1.18 -0.90 -0.90 2.07 -1.19 -0.98 116.25 115.69 2key h VAL 86 Ca -0.02 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.01 2key h VAL 86 Cb 1.26 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 2key h VAL 86 CO 0.11 0.16 0.59 0.28 0.02 0.00 0.00 177.57 178.72 2key h SER 87 N -0.06 0.93 -0.08 0.57 0.02 -0.27 0.55 113.55 115.21 2key h SER 87 Ca 0.03 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 2key h SER 87 Cb 0.22 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2key h SER 87 CO -0.00 0.61 -0.14 0.00 -1.14 0.00 0.00 176.83 176.16 2key h ALA 88 N 1.50 1.29 0.00 3.77 0.00 -0.77 -2.22 119.26 122.84 2key h ALA 88 Ca 0.37 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2key h ALA 88 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2key h ALA 88 CO -0.13 0.47 -0.63 0.00 0.00 0.00 0.00 179.25 178.96 2key h ALA 89 N 1.46 0.77 -0.30 0.00 0.00 0.15 -3.17 119.26 118.17 2key h ALA 89 Ca 0.07 -0.58 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 2key h ALA 89 Cb 0.49 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2key h ALA 89 CO 0.03 0.79 -0.36 0.82 0.00 0.00 0.00 179.25 180.53 2key h ILE 90 N 0.00 1.29 -0.29 0.00 2.04 -0.37 0.32 117.51 120.50 2key h ILE 90 Ca -0.01 -1.54 -0.07 0.00 1.00 0.00 0.00 64.86 64.24 2key h ILE 90 Cb 1.27 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2key h ILE 90 CO 0.08 0.50 -0.14 0.07 0.00 0.00 0.00 178.15 178.67 2key h LYS 91 N 0.54 0.50 -0.01 2.37 2.10 -1.47 -2.19 116.57 118.42 2key h LYS 91 Ca 0.04 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2key h LYS 91 Cb 0.95 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 2key h LYS 91 CO 0.09 0.63 -0.05 1.63 -2.00 0.00 0.00 179.45 179.74 2key n LYS 92 N -4.19 1.45 -1.00 0.07 5.02 -1.18 -4.92 118.16 113.41 2key n LYS 92 Ca 0.00 -0.82 0.00 0.00 -2.02 0.00 0.00 58.31 55.47 2key n LYS 92 Cb 0.33 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 2key n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2key n GLY 93 N 1.20 0.41 0.07 0.72 0.00 -0.60 -4.90 105.19 102.10 2key n GLY 93 Ca 0.18 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 2key n GLY 93 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2key h TYR 94 N 0.00 0.00 -3.38 1.61 3.20 -0.65 -3.42 116.97 114.33 2key h TYR 94 Ca 0.00 0.00 -0.65 0.00 3.14 0.00 0.00 58.73 61.22 2key h TYR 94 Cb 0.00 0.00 -0.26 0.00 1.54 0.00 0.00 36.73 38.01 2key h TYR 94 CO 0.00 0.96 -0.71 1.41 -1.64 0.00 0.00 178.16 178.18 2key s MET 95 N -2.70 3.47 0.03 1.82 1.75 -0.51 -4.95 119.30 118.21 2key s MET 95 Ca -0.00 -0.60 -0.08 0.00 -1.25 0.00 0.00 55.69 53.76 2key s MET 95 Cb 0.09 -2.94 -0.31 0.00 2.84 0.00 0.00 34.83 34.52 2key s MET 95 CO 0.82 -0.01 0.97 0.93 -0.65 0.00 0.00 175.02 177.08 2key h GLU 96 N 7.49 0.36 -4.02 4.11 5.08 -1.88 -3.36 114.58 122.36 2key h GLU 96 Ca -0.36 -0.61 -0.20 0.00 -1.00 0.00 0.00 59.36 57.19 2key h GLU 96 Cb 1.18 0.23 -0.23 0.00 0.50 0.00 0.00 28.75 30.43 2key h GLU 96 CO 0.60 1.27 -0.71 1.21 -1.00 0.00 0.00 179.01 180.37 2key s ASN 97 N -7.24 0.28 0.24 1.42 2.47 -1.26 -5.09 114.94 105.77 2key s ASN 97 Ca -0.08 -0.38 -0.30 0.00 0.42 0.00 0.00 52.86 52.52 2key s ASN 97 Cb 0.06 0.06 -0.09 0.00 -1.45 0.00 0.00 41.25 39.83 2key s ASN 97 CO 0.89 -0.21 1.03 -0.62 -3.72 0.00 0.00 177.10 174.47 2key s ASP 98 N -1.10 7.44 -0.02 -4.21 -1.08 -1.26 -4.95 116.67 111.49 2key s ASP 98 Ca -0.11 2.09 0.20 0.00 -0.52 0.00 0.00 52.55 54.21 2key s ASP 98 Cb -0.08 -2.62 -0.22 0.00 -1.46 0.00 0.00 42.92 38.55 2key s ASP 98 CO -0.01 -0.02 0.55 -0.81 0.52 0.00 0.00 175.17 175.40 2key n PRO 99 N 1.51 0.65 0.09 4.34 -0.04 -1.26 -4.38 135.00 135.91 2key n PRO 99 Ca -0.01 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 2key n PRO 99 Cb 0.46 -1.64 0.26 0.00 -0.04 0.00 0.00 33.50 32.55 2key n PRO 99 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2key h PHE 100 N 0.00 0.00 -0.59 0.54 0.04 -1.96 -1.18 116.94 113.79 2key h PHE 100 Ca -0.18 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.52 2key h PHE 100 Cb 1.46 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.58 2key h PHE 100 CO 0.00 0.00 0.08 -0.22 -0.60 0.00 0.00 178.31 177.57 2key h LYS 101 N 0.00 0.97 0.00 1.51 3.11 -1.93 0.96 116.57 121.18 2key h LYS 101 Ca 0.00 -0.25 -0.24 0.00 -2.81 0.00 0.00 60.65 57.36 2key h LYS 101 Cb 0.76 -0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 31.83 2key h LYS 101 CO 0.00 0.90 -1.38 -0.44 -2.81 0.00 0.00 179.45 175.72 2key h ASP 102 N 0.91 0.00 -0.46 4.20 5.19 -1.79 -2.83 116.42 121.64 2key h ASP 102 Ca 0.18 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 2key h ASP 102 Cb 0.42 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 2key h ASP 102 CO 0.01 0.89 0.23 0.15 -3.12 0.00 0.00 179.24 177.40 2key h PHE 103 N 0.00 0.68 0.01 4.55 3.57 -0.94 -3.14 116.94 121.67 2key h PHE 103 Ca -0.17 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 2key h PHE 103 Cb 1.83 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.35 2key h PHE 103 CO 0.00 0.51 -0.00 0.78 -2.23 0.00 0.00 178.31 177.37 2key h GLY 104 N 0.81 -0.01 0.00 2.40 0.00 -0.90 -3.50 103.07 101.87 2key h GLY 104 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2key h GLY 104 CO -0.02 -0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.41 2key n LEU 105 N -2.05 0.00 -4.56 3.11 7.94 -1.07 -5.08 117.00 115.29 2key n LEU 105 Ca -0.00 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.53 2key n LEU 105 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.92 2key n LEU 105 CO 0.00 0.00 1.43 -0.70 -1.11 0.00 0.00 177.39 177.02 2key s GLU 106 N -1.32 3.28 -0.35 1.96 -6.30 -1.26 -4.59 118.70 110.12 2key s GLU 106 Ca 0.00 -0.85 -0.26 0.00 -2.50 0.00 0.00 54.97 51.36 2key s GLU 106 Cb 0.00 -5.23 0.01 0.00 0.00 0.00 0.00 34.13 28.91 2key s GLU 106 CO 0.00 -2.53 0.94 -1.58 0.02 0.00 0.00 175.26 172.11 2key s HIS 107 N 6.45 3.11 -1.12 5.30 5.65 -1.26 -4.94 115.29 128.47 2key s HIS 107 Ca 0.53 0.87 -0.20 0.00 0.25 0.00 0.00 55.06 56.51 2key s HIS 107 Cb -0.02 -3.61 -0.06 0.00 -1.18 0.00 0.00 32.58 27.71 2key s HIS 107 CO -0.06 -0.78 1.94 0.72 -0.65 0.00 0.00 174.74 175.91 2key n HIS 108 N 6.73 2.97 -2.68 3.88 8.25 -1.26 -4.90 115.22 128.21 2key n HIS 108 Ca 0.08 -2.11 -0.43 0.00 -0.26 0.00 0.00 57.72 55.01 2key n HIS 108 Cb 0.48 -2.32 -0.03 0.00 1.12 0.00 0.00 29.99 29.24 2key n HIS 108 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2key s HIS 109 N 6.41 2.73 0.00 4.41 5.65 -1.26 -4.88 115.29 128.35 2key s HIS 109 Ca 0.58 0.35 0.00 0.00 0.25 0.00 0.00 55.06 56.24 2key s HIS 109 Cb 0.08 -4.32 0.00 0.00 -1.18 0.00 0.00 32.58 27.16 2key s HIS 109 CO 0.08 -1.42 0.00 1.58 -0.65 0.00 0.00 174.74 174.34 2key n HIS 110 N 7.93 0.00 -1.19 3.88 -0.00 -1.26 -4.88 115.22 119.70 2key n HIS 110 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.72 2key n HIS 110 Cb 0.49 0.05 -0.03 0.00 -0.00 0.00 0.00 29.99 30.49 2key n HIS 110 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2key n HIS 111 N 13.04 0.00 0.34 1.57 -0.00 -1.26 -5.21 115.22 123.70 2key n HIS 111 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 2key n HIS 111 Cb 0.00 -1.68 0.03 0.00 -0.00 0.00 0.00 29.99 28.34 2key n HIS 111 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92