#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 0.64 -3.81 3.17 4.13 -1.26 -5.13 115.26 113.00 2key n ASN 2 Ca 0.00 0.09 -0.12 0.00 1.68 0.00 0.00 54.58 56.23 2key n ASN 2 Cb 0.00 -0.19 -0.09 0.00 -1.54 0.00 0.00 39.78 37.96 2key n ASN 2 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2key s ASN 3 N -5.58 -0.07 0.49 6.41 3.84 -1.26 -5.02 114.94 113.76 2key s ASN 3 Ca 0.00 -0.13 0.40 0.00 0.21 0.00 0.00 52.86 53.34 2key s ASN 3 Cb 0.00 0.28 1.60 0.00 -0.55 0.00 0.00 41.25 42.57 2key s ASN 3 CO 0.00 -0.46 1.59 -0.65 -2.79 0.00 0.00 177.10 174.78 2key h PRO 4 N 3.84 0.01 -4.55 0.43 0.11 -2.03 -3.46 132.00 126.35 2key h PRO 4 Ca -0.31 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.65 2key h PRO 4 Cb 1.19 -0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.41 2key h PRO 4 CO 0.43 0.01 -0.51 0.45 -0.21 0.00 0.00 178.00 178.16 2key n SER 5 N -4.39 -5.01 -0.61 -2.05 2.88 -1.26 -4.92 113.62 98.26 2key n SER 5 Ca 0.42 -0.42 0.09 0.00 -1.33 0.00 0.00 58.87 57.62 2key n SER 5 Cb 1.74 -3.52 0.30 0.00 -0.75 0.00 0.00 64.21 61.98 2key n SER 5 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2key n ASP 6 N -2.52 1.82 -4.08 -3.46 9.92 -1.26 -4.76 116.55 112.21 2key n ASP 6 Ca -0.04 -1.82 -0.32 0.00 -0.53 0.00 0.00 54.79 52.08 2key n ASP 6 Cb 0.57 -0.16 -0.16 0.00 -0.64 0.00 0.00 41.12 40.73 2key n ASP 6 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2key s PHE 7 N -1.68 2.71 -0.61 1.24 -0.12 -1.26 -4.93 117.98 113.32 2key s PHE 7 Ca 0.30 -1.68 0.19 0.00 -0.05 0.00 0.00 56.93 55.69 2key s PHE 7 Cb 0.16 -1.83 -0.24 0.00 -0.63 0.00 0.00 43.02 40.48 2key s PHE 7 CO 0.23 -0.79 0.68 0.36 -0.05 0.00 0.00 175.22 175.65 2key n LYS 8 N 4.62 0.67 -2.40 1.99 2.85 -1.26 -4.68 118.16 119.95 2key n LYS 8 Ca -0.18 -0.06 -0.40 0.00 -1.05 0.00 0.00 58.31 56.62 2key n LYS 8 Cb 0.48 -1.42 -0.04 0.00 -0.65 0.00 0.00 35.03 33.40 2key n LYS 8 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2key s SER 9 N -3.28 7.13 0.11 -5.58 0.01 -1.26 -4.89 113.70 105.94 2key s SER 9 Ca 0.02 2.34 -0.30 0.00 1.31 0.00 0.00 55.95 59.32 2key s SER 9 Cb 0.14 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.64 2key s SER 9 CO 0.79 -0.25 1.59 -0.26 0.41 0.00 0.00 173.24 175.53 2key h PHE 10 N 3.63 -1.12 -0.01 2.43 -1.00 -1.93 0.67 116.94 119.61 2key h PHE 10 Ca -0.47 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.34 2key h PHE 10 Cb 1.22 0.48 -0.00 0.00 3.61 0.00 0.00 35.95 41.25 2key h PHE 10 CO 0.58 -0.50 0.01 1.12 -1.61 0.00 0.00 178.31 177.90 2key h HIS 11 N -0.63 0.00 0.00 -0.55 2.07 -1.92 -1.27 115.15 112.85 2key h HIS 11 Ca 0.02 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.52 2key h HIS 11 Cb 0.66 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.64 2key h HIS 11 CO -0.35 0.00 -0.13 -0.44 -3.07 0.00 0.00 177.93 173.94 2key h ASP 12 N 0.00 0.00 -0.57 3.10 3.32 -1.66 -2.83 116.42 117.78 2key h ASP 12 Ca 0.00 -0.93 -0.02 0.00 0.02 0.00 0.00 57.03 56.10 2key h ASP 12 Cb 0.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2key h ASP 12 CO -0.00 1.04 0.27 0.15 -1.72 0.00 0.00 179.24 178.98 2key h PHE 13 N -1.00 0.83 -0.60 4.55 3.57 -0.63 -2.57 116.94 121.09 2key h PHE 13 Ca -0.04 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 2key h PHE 13 Cb 1.01 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2key h PHE 13 CO 0.26 0.64 0.03 0.28 -2.23 0.00 0.00 178.31 177.29 2key h VAL 14 N 0.78 1.26 -0.69 1.41 2.07 -1.38 -1.11 116.25 118.59 2key h VAL 14 Ca 0.20 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 2key h VAL 14 Cb 0.13 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2key h VAL 14 CO -0.02 0.40 0.36 0.00 0.02 0.00 0.00 177.57 178.32 2key h ALA 15 N 1.06 1.33 -0.04 1.67 0.00 -1.24 0.38 119.26 122.42 2key h ALA 15 Ca 0.18 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2key h ALA 15 Cb 0.51 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2key h ALA 15 CO 0.02 0.54 -0.64 1.03 0.00 0.00 0.00 179.25 180.20 2key h SER 16 N 0.97 0.64 -0.26 0.00 0.87 -1.18 -3.16 113.55 111.42 2key h SER 16 Ca 0.24 -0.71 -0.14 0.00 -1.23 0.00 0.00 61.79 59.95 2key h SER 16 Cb 0.06 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2key h SER 16 CO -0.04 1.26 -0.34 0.22 -0.53 0.00 0.00 176.83 177.40 2key h TYR 17 N 0.07 0.92 -0.02 2.24 3.20 -0.90 -2.93 116.97 119.55 2key h TYR 17 Ca -0.07 -0.25 -0.02 0.00 3.14 0.00 0.00 58.73 61.53 2key h TYR 17 Cb 1.32 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 2key h TYR 17 CO 0.13 1.01 -0.08 1.98 -1.64 0.00 0.00 178.16 179.56 2key h MET 18 N 0.65 0.02 -0.90 1.82 4.05 -0.33 -0.43 114.93 119.82 2key h MET 18 Ca 0.07 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.55 2key h MET 18 Cb 0.88 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.61 2key h MET 18 CO 0.08 0.10 0.58 -0.22 0.23 0.00 0.00 176.91 177.68 2key h LYS 19 N 0.02 0.97 0.02 0.39 3.64 -1.48 -1.01 116.57 119.13 2key h LYS 19 Ca 0.01 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.09 2key h LYS 19 Cb 0.15 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2key h LYS 19 CO 0.01 0.64 -1.22 1.15 -2.27 0.00 0.00 179.45 177.77 2key h THR 20 N 1.00 1.46 0.00 1.00 2.02 -1.25 -3.23 112.91 113.91 2key h THR 20 Ca 0.39 -3.19 0.00 0.00 0.77 0.00 0.00 66.41 64.38 2key h THR 20 Cb 0.23 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 2key h THR 20 CO -0.15 0.85 0.00 0.22 0.37 0.00 0.00 175.52 176.81 2key h TYR 21 N 0.01 0.00 0.00 3.16 3.20 -0.18 -2.45 116.97 120.72 2key h TYR 21 Ca -0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2key h TYR 21 Cb 1.86 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.13 2key h TYR 21 CO 0.01 0.00 0.00 0.45 -1.64 0.00 0.00 178.16 176.98 2key n SER 22 N -2.66 0.29 0.23 -2.11 2.88 -0.48 -1.11 113.62 110.66 2key n SER 22 Ca -0.00 0.62 0.16 0.00 -1.33 0.00 0.00 58.87 58.32 2key n SER 22 Cb 0.17 -0.67 0.76 0.00 -0.75 0.00 0.00 64.21 63.72 2key n SER 22 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2key h ARG 23 N 0.00 0.00 0.00 -1.46 2.47 -1.69 -2.31 114.38 111.40 2key h ARG 23 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2key h ARG 23 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2key h ARG 23 CO 0.00 0.00 -0.27 2.89 0.56 0.00 0.00 179.97 183.15 2key n ARG 24 N -2.66 0.58 -3.77 0.04 1.85 -0.26 -5.03 116.66 107.41 2key n ARG 24 Ca -0.01 -1.64 -0.21 0.00 -1.00 0.00 0.00 57.85 55.00 2key n ARG 24 Cb 0.15 -0.92 -0.17 0.00 -1.05 0.00 0.00 32.46 30.47 2key n ARG 24 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2key s LEU 25 N -1.19 0.55 0.79 2.89 2.96 -0.87 -5.14 118.68 118.67 2key s LEU 25 Ca 0.13 -0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.89 2key s LEU 25 Cb 0.11 -0.31 0.07 0.00 0.50 0.00 0.00 46.19 46.56 2key s LEU 25 CO 0.01 -0.19 1.16 -1.61 -1.32 0.00 0.00 176.35 174.40 2key s GLU 26 N 1.87 1.88 0.27 1.98 2.02 -1.26 -4.56 118.70 120.89 2key s GLU 26 Ca 0.02 1.56 -0.02 0.00 0.02 0.00 0.00 54.97 56.55 2key s GLU 26 Cb -0.12 -1.82 0.37 0.00 0.10 0.00 0.00 34.13 32.66 2key s GLU 26 CO -0.04 -1.99 1.85 0.82 0.02 0.00 0.00 175.26 175.92 2key h ILE 27 N -0.89 1.23 -0.21 -1.63 1.08 -1.97 0.18 117.51 115.30 2key h ILE 27 Ca -0.45 -0.72 0.04 0.00 -0.39 0.00 0.00 64.86 63.34 2key h ILE 27 Cb 1.27 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 2key h ILE 27 CO 0.48 0.29 -0.07 1.23 -0.69 0.00 0.00 178.15 179.39 2key h GLY 28 N 1.02 0.13 1.07 5.37 0.00 -1.99 0.23 103.07 108.90 2key h GLY 28 Ca 0.22 0.08 -0.26 0.00 0.00 0.00 0.00 47.33 47.38 2key h GLY 28 CO -0.02 -0.09 -1.06 0.00 0.00 0.00 0.00 176.54 175.37 2key h THR 29 N -0.02 1.34 -0.36 4.70 1.03 -1.89 -2.48 112.91 115.22 2key h THR 29 Ca 0.10 -2.39 0.08 0.00 -0.01 0.00 0.00 66.41 64.19 2key h THR 29 Cb 0.18 2.74 -0.08 0.00 -1.07 0.00 0.00 68.15 69.92 2key h THR 29 CO -0.23 0.72 -0.24 0.15 -0.01 0.00 0.00 175.52 175.91 2key h PHE 30 N 0.12 -0.62 -0.10 0.00 3.57 -0.46 -1.89 116.94 117.55 2key h PHE 30 Ca -0.16 0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.27 2key h PHE 30 Cb 1.76 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 40.82 2key h PHE 30 CO 0.13 -0.31 -0.46 -0.09 -2.23 0.00 0.00 178.31 175.35 2key h ARG 31 N -0.19 0.24 0.00 1.11 2.43 -0.63 -1.99 114.38 115.36 2key h ARG 31 Ca 0.18 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2key h ARG 31 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2key h ARG 31 CO -0.47 0.66 0.00 1.58 -1.51 0.00 0.00 179.97 180.23 2key n HIS 32 N -3.98 0.00 -2.44 2.20 -0.00 -0.73 -1.68 115.22 108.59 2key n HIS 32 Ca -0.02 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.18 2key n HIS 32 Cb 0.52 -0.24 0.01 0.00 -0.12 0.00 0.00 29.99 30.15 2key n HIS 32 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2key n HIS 33 N -1.24 0.06 0.00 1.57 1.44 -1.10 -4.87 115.22 111.07 2key n HIS 33 Ca 0.09 -0.64 0.00 0.00 -2.01 0.00 0.00 57.72 55.16 2key n HIS 33 Cb 0.13 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.22 2key n HIS 33 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2key n LYS 34 N 0.30 0.00 0.15 -1.40 4.81 -0.68 -4.65 118.16 116.69 2key n LYS 34 Ca -0.00 0.07 0.13 0.00 -0.87 0.00 0.00 58.31 57.64 2key n LYS 34 Cb 1.04 -0.45 0.45 0.00 0.02 0.00 0.00 35.03 36.09 2key n LYS 34 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2key h SER 35 N 0.00 0.00 -0.52 3.14 0.02 -1.86 -3.32 113.55 111.00 2key h SER 35 Ca 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2key h SER 35 Cb 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 2key h SER 35 CO 0.00 0.00 -0.41 0.00 -1.14 0.00 0.00 176.83 175.28 2key h MET 37 N -0.25 -0.29 0.10 0.00 2.86 -1.87 -2.90 114.93 112.59 2key h MET 37 Ca 0.17 0.02 -0.28 0.00 -2.06 0.00 0.00 59.70 57.55 2key h MET 37 Cb 0.57 0.07 0.03 0.00 0.06 0.00 0.00 31.60 32.32 2key h MET 37 CO -0.65 -0.19 -1.17 0.00 1.06 0.00 0.00 176.91 175.96 2key h ARG 38 N -0.30 0.61 0.69 1.72 3.08 -1.67 -2.55 114.38 115.96 2key h ARG 38 Ca 0.06 -0.79 -0.03 0.00 0.07 0.00 0.00 59.98 59.29 2key h ARG 38 Cb 0.38 0.26 0.01 0.00 0.08 0.00 0.00 29.97 30.70 2key h ARG 38 CO -0.19 1.36 -0.33 -0.22 -1.07 0.00 0.00 179.97 179.51 2key h LYS 39 N 0.23 -0.89 -0.08 0.04 3.11 -0.16 -3.29 116.57 115.53 2key h LYS 39 Ca -0.18 0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.72 2key h LYS 39 Cb 1.85 0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 33.28 2key h LYS 39 CO 0.22 -0.57 0.01 0.35 -2.81 0.00 0.00 179.45 176.65 2key h PHE 40 N -1.20 0.13 0.00 1.91 3.57 -1.70 -3.45 116.94 116.20 2key h PHE 40 Ca -0.09 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2key h PHE 40 Cb 0.73 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2key h PHE 40 CO 0.00 0.34 0.00 1.17 -2.23 0.00 0.00 178.31 177.59 2key n LYS 41 N -4.88 0.00 0.24 1.11 4.81 -1.23 -5.07 118.16 113.14 2key n LYS 41 Ca -0.06 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.22 2key n LYS 41 Cb 0.16 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.13 2key n LYS 41 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 2key h GLU 42 N 0.00 -0.52 0.00 1.64 4.11 -1.52 -3.44 114.58 114.85 2key h GLU 42 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2key h GLU 42 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2key h GLU 42 CO 0.00 -0.35 0.00 0.98 0.07 0.00 0.00 179.01 179.71 2key n TYR 43 N -5.32 -1.16 0.00 2.06 9.36 -1.26 -4.82 117.16 116.01 2key n TYR 43 Ca -0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.11 2key n TYR 43 Cb 0.23 0.21 0.00 0.00 -0.63 0.00 0.00 39.34 39.16 2key n TYR 43 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2key n GLU 45 N 0.00 0.00 -2.68 0.00 4.07 -1.26 -3.12 120.64 117.65 2key n GLU 45 Ca 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 2key n GLU 45 Cb 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.42 2key n GLU 45 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2key n GLY 46 N 0.00 1.51 3.71 8.31 0.00 -1.26 -4.72 105.19 112.75 2key n GLY 46 Ca 0.00 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 2key n GLY 46 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2key s LEU 47 N -3.19 4.37 0.56 0.99 0.20 -1.18 -5.00 118.68 115.43 2key s LEU 47 Ca 0.26 2.52 0.04 0.00 0.69 0.00 0.00 54.13 57.65 2key s LEU 47 Cb 0.44 -3.59 0.06 0.00 -0.43 0.00 0.00 46.19 42.68 2key s LEU 47 CO 0.02 -0.79 0.78 -1.10 -0.29 0.00 0.00 176.35 174.97 2key s GLN 48 N 1.33 2.37 0.52 1.98 -1.52 -1.26 -4.98 119.66 118.10 2key s GLN 48 Ca 0.69 -1.14 0.17 0.00 -1.95 0.00 0.00 55.36 53.13 2key s GLN 48 Cb -0.41 -2.55 1.27 0.00 -0.22 0.00 0.00 33.01 31.09 2key s GLN 48 CO 0.31 -0.80 2.11 0.27 -0.25 0.00 0.00 175.29 176.93 2key h PHE 49 N 0.09 0.03 0.00 0.91 -0.00 -1.94 -1.59 116.94 114.44 2key h PHE 49 Ca -0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.55 2key h PHE 49 Cb 1.28 -0.01 -0.01 0.00 -0.00 0.00 0.00 35.95 37.22 2key h PHE 49 CO 0.26 0.02 -0.22 1.25 -0.00 0.00 0.00 178.31 179.62 2key h HIS 50 N 0.03 0.00 0.00 6.09 2.76 -1.99 -2.40 115.15 119.64 2key h HIS 50 Ca 0.06 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 2key h HIS 50 Cb 0.19 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 2key h HIS 50 CO -0.00 0.22 -0.92 0.93 -1.30 0.00 0.00 177.93 176.87 2key h GLU 51 N 0.00 0.00 -5.69 5.26 3.07 -1.67 -3.42 114.58 112.12 2key h GLU 51 Ca -0.00 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.22 2key h GLU 51 Cb 0.41 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.19 2key h GLU 51 CO 0.03 0.17 1.21 -1.17 -1.40 0.00 0.00 179.01 177.85 2key s LEU 52 N -5.79 4.10 0.00 1.33 1.98 -0.90 -4.55 118.68 114.85 2key s LEU 52 Ca 0.00 -1.63 0.04 0.00 -2.89 0.00 0.00 54.13 49.65 2key s LEU 52 Cb 0.08 -2.50 -0.01 0.00 0.66 0.00 0.00 46.19 44.42 2key s LEU 52 CO 0.77 -1.35 0.13 0.35 -1.89 0.00 0.00 176.35 174.36 2key n THR 53 N 6.32 0.00 -0.27 3.68 -2.24 -1.26 -4.80 114.28 115.71 2key n THR 53 Ca 0.28 -2.47 -0.05 0.00 -2.27 0.00 0.00 64.05 59.53 2key n THR 53 Cb 0.50 0.83 0.06 0.00 -2.10 0.00 0.00 70.33 69.62 2key n THR 53 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2key h GLU 54 N 0.00 1.02 -0.82 -0.78 4.81 -1.88 -2.62 114.58 114.31 2key h GLU 54 Ca -0.34 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 2key h GLU 54 Cb 1.27 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 2key h GLU 54 CO 0.55 0.74 0.54 0.22 -0.73 0.00 0.00 179.01 180.33 2key h ASP 55 N 1.02 0.94 0.04 1.04 3.58 -1.94 0.25 116.42 121.35 2key h ASP 55 Ca 0.26 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.70 2key h ASP 55 Cb -0.00 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 2key h ASP 55 CO -0.05 0.68 -0.10 0.15 -2.88 0.00 0.00 179.24 177.04 2key h PHE 56 N 1.11 -0.26 -0.80 0.28 3.57 -1.73 0.79 116.94 119.89 2key h PHE 56 Ca 0.30 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 2key h PHE 56 Cb -0.13 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 2key h PHE 56 CO -0.02 -0.16 0.38 -0.07 -2.23 0.00 0.00 178.31 176.22 2key h LEU 57 N -0.20 1.06 -0.34 0.59 -0.00 -1.11 0.15 115.31 115.45 2key h LEU 57 Ca 0.02 -0.14 -0.07 0.00 -0.00 0.00 0.00 57.88 57.70 2key h LEU 57 Cb 0.22 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2key h LEU 57 CO -0.07 0.90 -0.05 -0.09 -0.00 0.00 0.00 178.44 179.12 2key h ARG 58 N 1.14 0.64 -0.17 1.13 1.12 -0.11 -2.60 114.38 115.52 2key h ARG 58 Ca 0.28 -0.23 -0.17 0.00 -1.11 0.00 0.00 59.98 58.74 2key h ARG 58 Cb 0.13 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2key h ARG 58 CO -0.03 0.79 -0.61 0.22 -3.11 0.00 0.00 179.97 177.23 2key h ASP 59 N 0.43 0.66 -0.77 -3.80 3.58 0.82 -1.89 116.42 115.45 2key h ASP 59 Ca 0.09 -0.38 -0.02 0.00 0.42 0.00 0.00 57.03 57.15 2key h ASP 59 Cb 0.54 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 2key h ASP 59 CO 0.03 1.11 0.41 0.22 -2.88 0.00 0.00 179.24 178.13 2key h TYR 60 N 0.43 1.08 -0.18 0.28 3.20 -0.71 0.27 116.97 121.34 2key h TYR 60 Ca -0.01 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 2key h TYR 60 Cb 1.17 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 2key h TYR 60 CO 0.05 0.76 0.02 1.25 -1.64 0.00 0.00 178.16 178.60 2key h LEU 61 N 1.10 0.30 -0.51 2.82 5.85 -1.28 0.27 115.31 123.86 2key h LEU 61 Ca 0.27 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2key h LEU 61 Cb 0.05 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2key h LEU 61 CO -0.04 0.50 0.26 0.40 -0.34 0.00 0.00 178.44 179.22 2key h ILE 62 N 0.08 0.96 -0.82 4.05 2.04 -0.84 -0.02 117.51 122.96 2key h ILE 62 Ca 0.05 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2key h ILE 62 Cb 0.34 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2key h ILE 62 CO 0.01 0.09 0.42 0.22 0.00 0.00 0.00 178.15 178.89 2key h TYR 63 N 0.50 1.15 -0.64 1.37 3.20 -0.35 0.28 116.97 122.48 2key h TYR 63 Ca 0.22 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.08 2key h TYR 63 Cb 0.13 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 2key h TYR 63 CO -0.10 0.81 0.40 1.98 -1.64 0.00 0.00 178.16 179.61 2key h MET 64 N 1.16 0.78 -0.00 1.82 4.05 -0.21 0.62 114.93 123.15 2key h MET 64 Ca 0.29 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.41 2key h MET 64 Cb 0.07 -0.18 0.02 0.00 -0.80 0.00 0.00 31.60 30.71 2key h MET 64 CO -0.04 0.52 -0.95 -0.22 0.23 0.00 0.00 176.91 176.44 2key h LYS 65 N 0.80 0.65 0.00 0.39 3.64 -0.21 0.22 116.57 122.06 2key h LYS 65 Ca 0.25 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2key h LYS 65 Cb -0.01 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2key h LYS 65 CO -0.09 1.29 -0.04 0.87 -2.27 0.00 0.00 179.45 179.21 2key h LYS 66 N 0.30 0.00 0.07 1.90 1.79 -0.42 -3.38 116.57 116.83 2key h LYS 66 Ca -0.12 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.11 2key h LYS 66 Cb 1.62 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.26 2key h LYS 66 CO 0.19 0.00 -1.11 1.15 -1.08 0.00 0.00 179.45 178.60 2key h THR 67 N -0.67 1.54 0.00 -0.16 2.02 -1.08 -3.42 112.91 111.14 2key h THR 67 Ca 0.00 -3.01 0.00 0.00 0.77 0.00 0.00 66.41 64.17 2key h THR 67 Cb 0.04 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 2key h THR 67 CO 0.00 0.88 0.00 0.18 0.37 0.00 0.00 175.52 176.95 2key n LEU 68 N -3.54 0.09 0.00 2.58 4.77 -1.08 -5.05 117.00 114.78 2key n LEU 68 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2key n LEU 68 Cb 0.95 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 2key n LEU 68 CO 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.57 2key s ASN 70 N 0.00 5.44 0.13 0.00 0.01 -1.13 -4.82 114.94 114.57 2key s ASN 70 Ca 0.00 2.09 0.01 0.00 -0.71 0.00 0.00 52.86 54.24 2key s ASN 70 Cb 0.00 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.10 2key s ASN 70 CO 0.00 -1.41 0.06 0.00 -1.51 0.00 0.00 177.10 174.24 2key n ALA 71 N -1.83 0.07 0.04 0.60 0.00 -1.26 -3.09 120.51 115.04 2key n ALA 71 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 2key n ALA 71 Cb 0.51 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 2key n ALA 71 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2key h ASP 72 N -0.01 -0.38 -0.97 0.00 3.04 -1.97 0.04 116.42 116.18 2key h ASP 72 Ca -0.02 0.04 0.06 0.00 -3.24 0.00 0.00 57.03 53.86 2key h ASP 72 Cb 0.09 0.13 -0.06 0.00 -1.04 0.00 0.00 39.33 38.45 2key h ASP 72 CO 0.03 -0.15 0.62 -1.28 -2.04 0.00 0.00 179.24 176.42 2key h SER 73 N -0.21 1.01 -0.73 4.15 0.87 -1.98 0.10 113.55 116.77 2key h SER 73 Ca -0.01 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2key h SER 73 Cb 0.20 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 2key h SER 73 CO -0.05 0.66 0.46 0.74 -0.53 0.00 0.00 176.83 178.11 2key h THR 74 N 1.16 1.12 -0.20 2.23 2.02 -1.90 -0.01 112.91 117.32 2key h THR 74 Ca 0.41 -0.31 -0.17 0.00 0.77 0.00 0.00 66.41 67.11 2key h THR 74 Cb 0.11 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2key h THR 74 CO -0.16 0.17 -0.55 0.00 0.37 0.00 0.00 175.52 175.35 2key h ALA 75 N 1.30 0.65 -0.81 6.16 0.00 0.03 -3.01 119.26 123.58 2key h ALA 75 Ca 0.29 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2key h ALA 75 Cb -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2key h ALA 75 CO -0.10 0.69 0.53 1.96 0.00 0.00 0.00 179.25 182.33 2key h GLN 76 N 0.47 1.06 -1.00 0.00 1.08 -0.10 0.56 115.11 117.19 2key h GLN 76 Ca 0.01 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2key h GLN 76 Cb 1.11 -0.24 -0.05 0.00 -0.05 0.00 0.00 27.48 28.25 2key h GLN 76 CO 0.11 0.71 0.66 0.00 -0.95 0.00 0.00 178.83 179.35 2key h ARG 77 N 1.10 1.28 0.13 1.46 2.47 -0.90 -2.34 114.38 117.58 2key h ARG 77 Ca 0.30 -0.08 -0.30 0.00 -1.26 0.00 0.00 59.98 58.64 2key h ARG 77 Cb -0.12 -0.29 0.03 0.00 -1.65 0.00 0.00 29.97 27.93 2key h ARG 77 CO -0.06 0.85 -1.26 -0.91 0.56 0.00 0.00 179.97 179.15 2key h ASN 78 N 1.32 0.81 0.30 7.04 2.35 -1.11 -3.29 115.58 123.00 2key h ASN 78 Ca 0.38 -0.76 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 2key h ASN 78 Cb -0.10 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.01 2key h ASN 78 CO -0.09 1.57 -0.05 -0.07 -1.65 0.00 0.00 177.43 177.14 2key h LEU 79 N 0.24 0.00 -1.98 1.61 3.38 0.31 -1.56 115.31 117.31 2key h LEU 79 Ca -0.18 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.96 2key h LEU 79 Cb 1.93 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 2key h LEU 79 CO 0.24 0.05 0.50 0.28 0.09 0.00 0.00 178.44 179.59 2key h SER 80 N 0.00 0.00 0.40 -0.43 0.02 -1.49 -2.16 113.55 109.89 2key h SER 80 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2key h SER 80 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2key h SER 80 CO 0.01 0.00 -0.19 0.71 -1.14 0.00 0.00 176.83 176.21 2key h THR 81 N 0.00 0.60 -0.87 -2.27 1.35 -1.50 -2.36 112.91 107.85 2key h THR 81 Ca 0.28 -0.29 0.01 0.00 -0.55 0.00 0.00 66.41 65.86 2key h THR 81 Cb 1.28 0.74 -0.04 0.00 -1.73 0.00 0.00 68.15 68.40 2key h THR 81 CO -0.00 0.06 0.58 0.40 -0.25 0.00 0.00 175.52 176.30 2key h ILE 82 N -0.71 1.22 -0.91 6.82 2.04 -1.61 -1.84 117.51 122.52 2key h ILE 82 Ca -0.05 -0.40 0.10 0.00 1.00 0.00 0.00 64.86 65.50 2key h ILE 82 Cb 0.50 -0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 2key h ILE 82 CO 0.09 0.22 0.55 0.50 0.00 0.00 0.00 178.15 179.51 2key h LYS 83 N 1.18 0.89 -0.30 2.37 1.63 -1.29 0.53 116.57 121.58 2key h LYS 83 Ca 0.32 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 2key h LYS 83 Cb -0.13 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.29 2key h LYS 83 CO -0.07 0.59 0.19 0.82 -3.45 0.00 0.00 179.45 177.53 2key h ILE 84 N 0.91 1.07 -0.05 2.00 1.08 -0.78 0.31 117.51 122.05 2key h ILE 84 Ca 0.44 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.75 2key h ILE 84 Cb 0.38 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 34.77 2key h ILE 84 CO -0.24 0.07 -0.06 0.22 -0.69 0.00 0.00 178.15 177.45 2key h TYR 85 N 0.39 0.17 -0.79 1.37 3.20 -1.32 -2.43 116.97 117.56 2key h TYR 85 Ca 0.11 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2key h TYR 85 Cb -0.04 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 2key h TYR 85 CO -0.06 0.61 0.47 0.28 -1.64 0.00 0.00 178.16 177.82 2key h VAL 86 N -0.32 1.22 -0.82 1.81 2.07 -0.87 -2.33 116.25 117.02 2key h VAL 86 Ca 0.01 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.08 2key h VAL 86 Cb 0.58 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2key h VAL 86 CO 0.02 0.24 0.50 0.28 0.02 0.00 0.00 177.57 178.62 2key h SER 87 N 1.08 0.78 -0.72 0.57 0.02 -0.33 0.13 113.55 115.09 2key h SER 87 Ca 0.28 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 2key h SER 87 Cb -0.03 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2key h SER 87 CO -0.05 0.50 0.29 0.00 -1.14 0.00 0.00 176.83 176.43 2key h ALA 88 N 1.39 1.14 -0.17 3.77 0.00 -0.92 -0.84 119.26 123.63 2key h ALA 88 Ca 0.36 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 2key h ALA 88 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2key h ALA 88 CO -0.17 0.62 -0.52 0.00 0.00 0.00 0.00 179.25 179.18 2key h ALA 89 N 1.26 0.78 -0.47 0.00 0.00 -0.79 -2.78 119.26 117.25 2key h ALA 89 Ca 0.25 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2key h ALA 89 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2key h ALA 89 CO -0.02 0.68 -0.25 0.82 0.00 0.00 0.00 179.25 180.48 2key h ILE 90 N 0.38 1.27 -0.76 0.00 2.04 -0.41 0.31 117.51 120.33 2key h ILE 90 Ca 0.01 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 2key h ILE 90 Cb 1.04 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 2key h ILE 90 CO 0.09 0.49 0.41 0.50 0.00 0.00 0.00 178.15 179.64 2key h LYS 91 N 0.85 1.05 0.11 2.37 1.63 -1.05 -2.49 116.57 119.05 2key h LYS 91 Ca 0.10 -0.12 -0.26 0.00 -0.85 0.00 0.00 60.65 59.52 2key h LYS 91 Cb 0.84 -0.21 0.03 0.00 -0.60 0.00 0.00 32.23 32.29 2key h LYS 91 CO 0.07 0.78 -1.10 -0.22 -3.45 0.00 0.00 179.45 175.53 2key h LYS 92 N 1.06 0.54 0.00 1.90 1.63 -1.39 -3.48 116.57 116.82 2key h LYS 92 Ca 0.27 -0.74 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2key h LYS 92 Cb 0.04 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2key h LYS 92 CO -0.04 1.33 0.00 0.41 -3.45 0.00 0.00 179.45 177.69 2key n GLY 93 N 1.40 1.73 0.16 5.01 0.00 0.47 -5.02 105.19 108.94 2key n GLY 93 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 0.99 -3.73 1.61 3.20 -0.80 -3.41 116.97 114.83 2key h TYR 94 Ca 0.00 -0.68 -0.66 0.00 3.14 0.00 0.00 58.73 60.53 2key h TYR 94 Cb 0.00 -0.06 -0.18 0.00 1.54 0.00 0.00 36.73 38.04 2key h TYR 94 CO 0.00 1.52 -0.41 -1.64 -1.64 0.00 0.00 178.16 175.99 2key s MET 95 N -2.77 3.63 0.07 1.82 -1.94 -1.07 -4.96 119.30 114.09 2key s MET 95 Ca -0.09 -0.47 0.06 0.00 -1.71 0.00 0.00 55.69 53.48 2key s MET 95 Cb 0.05 -3.77 -0.23 0.00 2.01 0.00 0.00 34.83 32.89 2key s MET 95 CO 0.94 -0.41 1.09 1.49 -0.01 0.00 0.00 175.02 178.12 2key h GLU 96 N 8.44 0.06 -5.13 2.03 4.81 -1.90 -3.35 114.58 119.53 2key h GLU 96 Ca -0.32 -0.10 -0.53 0.00 -0.13 0.00 0.00 59.36 58.29 2key h GLU 96 Cb 1.16 0.04 -0.31 0.00 0.63 0.00 0.00 28.75 30.26 2key h GLU 96 CO 0.64 0.93 -0.82 -0.80 -0.73 0.00 0.00 179.01 178.22 2key s ASN 97 N -6.66 1.92 0.37 1.04 0.01 -1.26 -5.10 114.94 105.26 2key s ASN 97 Ca -0.02 -0.31 -0.27 0.00 -0.71 0.00 0.00 52.86 51.55 2key s ASN 97 Cb 0.09 -0.52 -0.09 0.00 0.41 0.00 0.00 41.25 41.13 2key s ASN 97 CO 0.83 0.13 1.28 -0.62 -1.51 0.00 0.00 177.10 177.22 2key s ASP 98 N 0.07 6.58 0.26 -1.22 -1.08 -1.26 -4.94 116.67 115.08 2key s ASP 98 Ca -0.03 2.63 0.11 0.00 -0.52 0.00 0.00 52.55 54.74 2key s ASP 98 Cb -0.11 -2.64 0.28 0.00 -1.46 0.00 0.00 42.92 39.00 2key s ASP 98 CO 0.02 -0.66 1.56 1.55 0.52 0.00 0.00 175.17 178.15 2key h PRO 99 N 3.04 0.00 -0.00 4.34 0.13 -1.87 -3.10 132.00 134.53 2key h PRO 99 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2key h PRO 99 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2key h PRO 99 CO 0.64 0.65 -0.27 1.19 -0.23 0.00 0.00 178.00 179.98 2key n PHE 100 N -3.63 0.00 0.20 1.56 3.72 -1.26 -3.80 117.46 114.25 2key n PHE 100 Ca -0.01 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.43 2key n PHE 100 Cb 0.67 -0.31 0.42 0.00 -0.94 0.00 0.00 39.48 39.33 2key n PHE 100 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2key h LYS 101 N 0.17 0.01 -0.73 -1.08 3.11 -1.90 -2.30 116.57 113.86 2key h LYS 101 Ca 0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2key h LYS 101 Cb 0.48 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 2key h LYS 101 CO 0.00 0.29 0.00 -0.25 -2.81 0.00 0.00 179.45 176.68 2key n ASP 102 N -4.21 3.91 -0.06 4.20 8.00 -1.25 -3.76 116.55 123.39 2key n ASP 102 Ca -0.02 -2.01 0.15 0.00 0.71 0.00 0.00 54.79 53.61 2key n ASP 102 Cb 0.33 -0.49 0.70 0.00 -0.02 0.00 0.00 41.12 41.64 2key n ASP 102 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2key n PHE 103 N 1.62 0.00 0.00 1.24 3.01 -0.86 -4.98 117.46 117.48 2key n PHE 103 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.70 2key n PHE 103 Cb 0.62 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 2key n PHE 103 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2key n GLY 104 N 1.26 0.89 5.11 1.37 0.00 -1.25 -5.07 105.19 107.50 2key n GLY 104 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2key n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2key n LEU 105 N 0.00 0.00 -2.97 0.99 7.94 -1.26 -3.83 117.00 117.87 2key n LEU 105 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 2key n LEU 105 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2key n LEU 105 CO 0.00 0.00 0.36 -0.70 -1.11 0.00 0.00 177.39 175.94 2key s GLU 106 N 0.00 0.35 -0.11 1.96 2.56 -1.26 -5.02 118.70 117.18 2key s GLU 106 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.97 54.94 2key s GLU 106 Cb 0.00 0.06 0.15 0.00 2.00 0.00 0.00 34.13 36.34 2key s GLU 106 CO 0.00 -0.54 1.30 0.72 -0.56 0.00 0.00 175.26 176.18 2key n HIS 107 N 4.22 0.71 1.01 5.30 8.25 -1.25 -4.23 115.22 129.24 2key n HIS 107 Ca 0.07 -0.88 0.00 0.00 -0.26 0.00 0.00 57.72 56.66 2key n HIS 107 Cb 0.60 -0.44 0.02 0.00 1.12 0.00 0.00 29.99 31.29 2key n HIS 107 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2key n HIS 108 N 0.21 0.09 0.00 4.41 -0.00 -1.26 -4.92 115.22 113.75 2key n HIS 108 Ca 0.14 -0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 2key n HIS 108 Cb 0.74 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.63 2key n HIS 108 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2key n HIS 109 N -0.01 0.00 0.00 1.57 8.25 -1.26 -4.28 115.22 119.49 2key n HIS 109 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2key n HIS 109 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2key n HIS 109 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2key n HIS 110 N 0.00 0.00 0.00 4.41 -0.00 -1.26 -5.08 115.22 113.29 2key n HIS 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2key n HIS 110 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2key n HIS 110 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2key n HIS 111 N -0.96 -1.64 -1.12 4.41 -0.00 -1.26 -5.16 115.22 109.48 2key n HIS 111 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2key n HIS 111 Cb 0.00 0.33 0.00 0.00 -0.12 0.00 0.00 29.99 30.20 2key n HIS 111 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38