#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2key s ASN 2 N 0.00 3.07 -0.39 7.83 0.01 -1.26 -4.96 114.94 119.25 2key s ASN 2 Ca 0.00 -3.38 -0.22 0.00 -0.71 0.00 0.00 52.86 48.55 2key s ASN 2 Cb 0.00 -1.00 0.03 0.00 0.41 0.00 0.00 41.25 40.69 2key s ASN 2 CO 0.00 -0.14 0.52 -3.20 -1.51 0.00 0.00 177.10 172.77 2key n ASN 3 N 2.51 -6.91 -4.77 -1.22 5.15 -1.26 -4.94 115.26 103.82 2key n ASN 3 Ca 0.24 0.35 -0.38 0.00 -0.60 0.00 0.00 54.58 54.18 2key n ASN 3 Cb 0.41 -3.64 -0.06 0.00 -0.53 0.00 0.00 39.78 35.97 2key n ASN 3 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2key s PRO 4 N -2.32 4.62 -1.31 1.20 0.04 -1.26 -4.95 135.00 131.01 2key s PRO 4 Ca 0.26 1.50 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 2key s PRO 4 Cb -0.05 -2.98 0.05 0.00 0.04 0.00 0.00 34.50 31.56 2key s PRO 4 CO 0.75 0.28 1.86 0.45 0.04 0.00 0.00 177.00 180.37 2key n SER 5 N 0.87 4.52 -0.17 6.66 2.88 -1.26 -4.34 113.62 122.79 2key n SER 5 Ca 0.01 -2.88 0.01 0.00 -1.33 0.00 0.00 58.87 54.67 2key n SER 5 Cb 0.48 -1.72 0.01 0.00 -0.75 0.00 0.00 64.21 62.24 2key n SER 5 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2key n ASP 6 N 8.36 0.47 -4.67 -3.46 2.03 -1.26 -5.06 116.55 112.97 2key n ASP 6 Ca 0.49 -1.65 -0.43 0.00 0.52 0.00 0.00 54.79 53.73 2key n ASP 6 Cb 0.44 -0.10 -0.02 0.00 -0.72 0.00 0.00 41.12 40.72 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 -0.39 2.76 -1.55 -0.67 0.08 -1.26 -4.88 117.98 112.06 2key s PHE 7 Ca 0.03 0.90 0.25 0.00 0.12 0.00 0.00 56.93 58.23 2key s PHE 7 Cb 0.03 -3.57 0.50 0.00 -0.57 0.00 0.00 43.02 39.40 2key s PHE 7 CO 0.00 -2.03 1.40 1.63 -0.10 0.00 0.00 175.22 176.12 2key n LYS 8 N 6.43 0.62 -3.88 0.44 5.02 -1.26 -4.91 118.16 120.63 2key n LYS 8 Ca 0.14 -0.41 -0.11 0.00 -2.02 0.00 0.00 58.31 55.91 2key n LYS 8 Cb 0.45 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.87 2key n LYS 8 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2key s SER 9 N -2.66 0.04 0.39 4.39 1.04 -1.26 -3.62 113.70 112.02 2key s SER 9 Ca 0.19 -0.24 0.19 0.00 0.48 0.00 0.00 55.95 56.56 2key s SER 9 Cb 0.18 0.20 0.78 0.00 0.10 0.00 0.00 66.02 67.28 2key s SER 9 CO 0.60 -0.38 1.79 2.19 0.98 0.00 0.00 173.24 178.42 2key h PHE 10 N 4.23 0.00 -0.95 5.02 -5.15 -1.91 -0.76 116.94 117.42 2key h PHE 10 Ca -0.31 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.50 2key h PHE 10 Cb 1.19 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.31 2key h PHE 10 CO 0.59 0.35 0.63 0.45 -2.00 0.00 0.00 178.31 178.33 2key h HIS 11 N 0.00 1.16 0.23 6.09 3.86 -1.95 0.34 115.15 124.88 2key h HIS 11 Ca -0.00 0.03 -0.33 0.00 -1.16 0.00 0.00 60.37 58.91 2key h HIS 11 Cb 0.79 -0.39 0.04 0.00 1.06 0.00 0.00 27.41 28.91 2key h HIS 11 CO 0.00 0.66 -1.44 0.22 0.86 0.00 0.00 177.93 178.24 2key h ASP 12 N 1.19 0.85 0.09 2.45 3.58 -1.80 -2.97 116.42 119.81 2key h ASP 12 Ca 0.38 -0.88 0.01 0.00 0.42 0.00 0.00 57.03 56.96 2key h ASP 12 Cb 0.03 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 2key h ASP 12 CO -0.12 1.69 -0.15 0.15 -2.88 0.00 0.00 179.24 177.92 2key h PHE 13 N 0.17 -0.40 -0.78 0.28 3.57 -0.75 -1.33 116.94 117.70 2key h PHE 13 Ca -0.24 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 2key h PHE 13 Cb 2.12 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 40.99 2key h PHE 13 CO 0.12 -0.23 0.46 0.28 -2.23 0.00 0.00 178.31 176.71 2key h VAL 14 N -0.30 1.22 -0.86 1.41 2.07 -0.45 -0.24 116.25 119.09 2key h VAL 14 Ca 0.02 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2key h VAL 14 Cb 0.32 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 2key h VAL 14 CO -0.08 0.24 0.57 0.00 0.02 0.00 0.00 177.57 178.32 2key h ALA 15 N 1.24 1.39 -0.09 1.67 0.00 -1.32 0.47 119.26 122.63 2key h ALA 15 Ca 0.28 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 2key h ALA 15 Cb -0.02 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.44 2key h ALA 15 CO -0.05 0.57 -0.80 1.03 0.00 0.00 0.00 179.25 180.00 2key h SER 16 N 1.17 0.85 -0.25 0.00 0.87 -0.64 -0.02 113.55 115.54 2key h SER 16 Ca 0.32 -0.68 -0.13 0.00 -1.23 0.00 0.00 61.79 60.07 2key h SER 16 Cb -0.13 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.57 2key h SER 16 CO -0.07 1.40 -0.32 0.22 -0.53 0.00 0.00 176.83 177.53 2key h TYR 17 N 0.38 0.89 -0.15 2.24 3.20 -0.67 0.33 116.97 123.19 2key h TYR 17 Ca -0.08 -0.24 -0.11 0.00 3.14 0.00 0.00 58.73 61.44 2key h TYR 17 Cb 1.45 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 2key h TYR 17 CO 0.10 0.98 -0.41 1.98 -1.64 0.00 0.00 178.16 179.18 2key h MET 18 N 0.64 0.34 -0.14 1.82 4.05 -0.07 -1.71 114.93 119.86 2key h MET 18 Ca 0.07 -0.16 -0.06 0.00 -0.28 0.00 0.00 59.70 59.27 2key h MET 18 Cb 0.85 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 2key h MET 18 CO 0.07 0.69 -0.17 -0.22 0.23 0.00 0.00 176.91 177.51 2key h LYS 19 N 0.28 0.23 0.16 0.39 3.64 -0.55 -0.66 116.57 120.05 2key h LYS 19 Ca 0.03 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2key h LYS 19 Cb 0.84 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2key h LYS 19 CO 0.07 0.40 -0.10 1.15 -2.27 0.00 0.00 179.45 178.70 2key h THR 20 N 0.21 0.79 -0.01 1.00 2.02 0.01 -2.29 112.91 114.65 2key h THR 20 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2key h THR 20 Cb 0.44 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2key h THR 20 CO 0.03 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.83 2key n TYR 21 N -5.21 0.00 0.43 3.16 0.18 -1.14 -3.33 117.16 111.25 2key n TYR 21 Ca -0.08 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.77 2key n TYR 21 Cb 0.13 -0.07 0.30 0.00 -0.38 0.00 0.00 39.34 39.32 2key n TYR 21 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2key n SER 22 N -0.43 0.09 0.22 9.48 2.88 -0.26 -2.66 113.62 122.94 2key n SER 22 Ca 0.17 0.52 0.06 0.00 -1.33 0.00 0.00 58.87 58.29 2key n SER 22 Cb 0.31 -0.54 0.50 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 -0.11 -1.46 3.08 -1.57 -3.18 114.38 111.14 2key h ARG 23 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2key h ARG 23 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2key h ARG 23 CO 0.00 0.24 0.00 2.89 -1.07 0.00 0.00 179.97 182.03 2key n ARG 24 N -4.05 1.24 -4.23 0.04 -4.01 -1.09 -5.01 116.66 99.57 2key n ARG 24 Ca -0.02 -1.36 -0.23 0.00 -1.04 0.00 0.00 57.85 55.20 2key n ARG 24 Cb 0.31 -1.18 -0.06 0.00 -3.04 0.00 0.00 32.46 28.49 2key n ARG 24 CO 0.00 0.00 0.00 -0.48 -3.04 0.00 0.00 177.63 174.11 2key s LEU 25 N -0.82 3.42 0.48 2.89 0.05 -1.20 -5.11 118.68 118.39 2key s LEU 25 Ca 0.13 -0.49 -0.22 0.00 0.05 0.00 0.00 54.13 53.61 2key s LEU 25 Cb 0.08 -1.95 -0.07 0.00 -2.05 0.00 0.00 46.19 42.19 2key s LEU 25 CO 0.11 -0.00 1.11 -0.70 -0.55 0.00 0.00 176.35 176.32 2key s GLU 26 N -3.65 3.72 0.53 1.48 -6.30 -1.26 -4.93 118.70 108.29 2key s GLU 26 Ca 0.31 1.59 0.26 0.00 -2.50 0.00 0.00 54.97 54.64 2key s GLU 26 Cb -0.07 -2.25 1.48 0.00 0.00 0.00 0.00 34.13 33.29 2key s GLU 26 CO 0.21 -0.54 2.10 0.82 0.02 0.00 0.00 175.26 177.88 2key h ILE 27 N 1.67 0.62 -0.55 -3.70 1.08 -1.99 -2.94 117.51 111.69 2key h ILE 27 Ca -0.49 -0.43 0.09 0.00 -0.39 0.00 0.00 64.86 63.63 2key h ILE 27 Cb 1.24 1.27 -0.07 0.00 -3.07 0.00 0.00 36.82 36.19 2key h ILE 27 CO 0.59 0.10 0.17 1.23 -0.69 0.00 0.00 178.15 179.55 2key h GLY 28 N 0.65 0.73 1.15 5.37 0.00 -1.98 0.51 103.07 109.51 2key h GLY 28 Ca -0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 2key h GLY 28 CO 0.01 -0.04 -0.74 0.00 0.00 0.00 0.00 176.54 175.77 2key h THR 29 N 0.33 1.28 0.34 4.70 1.03 -1.92 -0.98 112.91 117.70 2key h THR 29 Ca 0.28 -1.94 -0.02 0.00 -0.01 0.00 0.00 66.41 64.72 2key h THR 29 Cb 0.35 1.97 0.00 0.00 -1.07 0.00 0.00 68.15 69.40 2key h THR 29 CO -0.31 0.62 -0.16 0.15 -0.01 0.00 0.00 175.52 175.80 2key h PHE 30 N 0.52 -0.42 0.00 0.00 3.57 -1.52 -3.03 116.94 116.06 2key h PHE 30 Ca -0.05 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 2key h PHE 30 Cb 1.38 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 2key h PHE 30 CO 0.09 -0.25 -0.14 -0.09 -2.23 0.00 0.00 178.31 175.69 2key h ARG 31 N -0.48 0.00 -0.83 1.11 2.43 -0.00 -2.39 114.38 114.22 2key h ARG 31 Ca -0.05 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.33 2key h ARG 31 Cb 0.37 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 2key h ARG 31 CO 0.08 0.14 0.57 1.25 -1.51 0.00 0.00 179.97 180.49 2key h HIS 32 N 0.00 0.30 0.00 2.20 2.76 -1.04 -1.78 115.15 117.60 2key h HIS 32 Ca -0.00 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 2key h HIS 32 Cb 0.28 -0.09 -0.11 0.00 1.55 0.00 0.00 27.41 29.04 2key h HIS 32 CO 0.00 0.09 -0.57 -2.39 -1.30 0.00 0.00 177.93 173.75 2key n HIS 33 N -4.42 0.00 0.06 5.26 1.44 -1.12 -4.87 115.22 111.57 2key n HIS 33 Ca 0.17 -0.50 -0.21 0.00 -2.01 0.00 0.00 57.72 55.17 2key n HIS 33 Cb 0.74 -0.12 -0.12 0.00 0.12 0.00 0.00 29.99 30.61 2key n HIS 33 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 2key h LYS 34 N 0.41 0.59 0.00 -1.40 3.11 -0.79 -3.33 116.57 115.16 2key h LYS 34 Ca -0.07 -0.72 -0.23 0.00 -2.81 0.00 0.00 60.65 56.82 2key h LYS 34 Cb 1.43 0.23 -0.04 0.00 -1.00 0.00 0.00 32.23 32.85 2key h LYS 34 CO 0.03 1.31 -1.30 0.77 -2.81 0.00 0.00 179.45 177.45 2key h SER 35 N 0.19 0.00 0.24 4.20 0.02 -1.88 -3.38 113.55 112.94 2key h SER 35 Ca -0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2key h SER 35 Cb 1.73 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.25 2key h SER 35 CO 0.20 0.89 -0.37 0.00 -1.14 0.00 0.00 176.83 176.41 2key h MET 37 N -0.64 0.57 0.00 0.00 -0.00 -1.76 -2.01 114.93 111.09 2key h MET 37 Ca -0.03 -0.06 -0.12 0.00 -0.00 0.00 0.00 59.70 59.49 2key h MET 37 Cb 0.59 -0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 32.06 2key h MET 37 CO -0.12 0.45 -0.59 0.00 -0.00 0.00 0.00 176.91 176.64 2key h ARG 38 N 0.57 0.00 0.00 -0.10 2.47 -1.68 -3.26 114.38 112.39 2key h ARG 38 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2key h ARG 38 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2key h ARG 38 CO -0.02 0.59 0.00 1.17 0.56 0.00 0.00 179.97 182.27 2key n LYS 39 N -3.35 0.08 0.29 0.04 0.00 -0.05 -1.60 118.16 113.57 2key n LYS 39 Ca 0.01 0.32 0.16 0.00 0.00 0.00 0.00 58.31 58.80 2key n LYS 39 Cb 0.73 -1.65 0.88 0.00 0.00 0.00 0.00 35.03 34.98 2key n LYS 39 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2key h PHE 40 N 0.00 0.00 -1.22 5.64 3.04 -1.62 -3.46 116.94 119.31 2key h PHE 40 Ca 0.00 0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.75 2key h PHE 40 Cb 0.30 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 2key h PHE 40 CO 0.00 0.05 -0.24 1.17 -2.02 0.00 0.00 178.31 177.27 2key n LYS 41 N -3.44 -0.77 -2.67 1.11 3.00 -0.63 -5.01 118.16 109.74 2key n LYS 41 Ca -0.02 0.56 -0.37 0.00 -0.00 0.00 0.00 58.31 58.47 2key n LYS 41 Cb 0.18 -4.58 -0.05 0.00 0.00 0.00 0.00 35.03 30.58 2key n LYS 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2key s GLU 42 N -4.16 4.49 0.00 1.64 0.41 -1.26 -5.02 118.70 114.80 2key s GLU 42 Ca 0.00 1.45 0.00 0.00 -0.41 0.00 0.00 54.97 56.01 2key s GLU 42 Cb 0.00 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.55 2key s GLU 42 CO 0.00 0.16 0.00 0.66 -0.49 0.00 0.00 175.26 175.59 2key n TYR 43 N 0.51 0.00 -3.34 1.61 4.01 -1.26 -4.93 117.16 113.75 2key n TYR 43 Ca 0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.55 2key n TYR 43 Cb 0.49 -0.16 -0.09 0.00 -0.31 0.00 0.00 39.34 39.27 2key n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2key s GLU 45 N 0.98 3.66 -0.73 0.00 1.03 -1.24 -4.78 118.70 117.61 2key s GLU 45 Ca 0.22 0.22 0.04 0.00 0.03 0.00 0.00 54.97 55.48 2key s GLU 45 Cb -0.12 -3.85 0.26 0.00 -0.80 0.00 0.00 34.13 29.62 2key s GLU 45 CO -0.06 -0.97 0.91 0.41 -1.33 0.00 0.00 175.26 174.23 2key n GLY 46 N 4.67 4.93 3.97 -3.83 0.00 -1.24 -3.47 105.19 110.22 2key n GLY 46 Ca 0.04 -2.76 -0.21 0.00 0.00 0.00 0.00 46.02 43.09 2key n GLY 46 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2key s LEU 47 N -2.59 3.85 0.00 0.99 -0.00 -1.26 -5.12 118.68 114.55 2key s LEU 47 Ca 0.38 0.07 0.00 0.00 -0.00 0.00 0.00 54.13 54.59 2key s LEU 47 Cb 0.13 -2.97 0.00 0.00 -0.00 0.00 0.00 46.19 43.35 2key s LEU 47 CO 0.01 -0.53 0.00 0.00 -0.00 0.00 0.00 176.35 175.84 2key n GLN 48 N -1.83 3.06 -0.25 1.48 1.13 -1.26 -4.91 117.38 114.80 2key n GLN 48 Ca -0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 2key n GLN 48 Cb 0.58 0.00 0.11 0.00 0.11 0.00 0.00 30.24 31.04 2key n GLN 48 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2key h PHE 49 N 0.40 0.74 0.00 1.08 -0.00 -1.94 0.62 116.94 117.84 2key h PHE 49 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 58.00 2key h PHE 49 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 35.95 35.72 2key h PHE 49 CO 0.00 0.34 0.00 1.25 -0.00 0.00 0.00 178.31 179.90 2key h HIS 50 N 0.73 0.00 0.20 6.09 2.76 -2.01 -3.06 115.15 119.86 2key h HIS 50 Ca 0.32 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 58.16 2key h HIS 50 Cb 0.22 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.19 2key h HIS 50 CO -0.07 0.00 -1.62 0.93 -1.30 0.00 0.00 177.93 175.87 2key h GLU 51 N 0.00 0.42 -5.54 5.26 3.07 -1.58 -3.39 114.58 112.81 2key h GLU 51 Ca 0.00 -0.71 -0.68 0.00 -0.50 0.00 0.00 59.36 57.47 2key h GLU 51 Cb 0.82 0.26 -0.12 0.00 -0.84 0.00 0.00 28.75 28.88 2key h GLU 51 CO 0.00 1.33 1.67 -1.17 -1.40 0.00 0.00 179.01 179.44 2key s LEU 52 N -7.34 4.21 0.37 1.33 1.98 0.08 -4.50 118.68 114.81 2key s LEU 52 Ca -0.12 -2.32 0.03 0.00 -2.89 0.00 0.00 54.13 48.84 2key s LEU 52 Cb 0.05 -2.51 -0.04 0.00 0.66 0.00 0.00 46.19 44.35 2key s LEU 52 CO 0.88 -1.13 0.10 0.42 -1.89 0.00 0.00 176.35 174.73 2key s THR 53 N 3.55 0.83 0.27 3.68 -4.23 -1.26 -4.87 115.64 113.61 2key s THR 53 Ca 0.47 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 2key s THR 53 Cb 0.00 -2.54 0.26 0.00 1.34 0.00 0.00 72.50 71.57 2key s THR 53 CO -0.00 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 175.84 2key h GLU 54 N 1.95 0.98 -0.97 3.99 4.22 -1.92 -0.38 114.58 122.44 2key h GLU 54 Ca -0.38 -0.06 0.10 0.00 0.08 0.00 0.00 59.36 59.10 2key h GLU 54 Cb 1.26 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 2key h GLU 54 CO 0.62 0.65 0.62 0.22 -2.18 0.00 0.00 179.01 178.94 2key h ASP 55 N 1.01 0.92 -0.10 1.04 3.58 -1.93 0.15 116.42 121.09 2key h ASP 55 Ca 0.45 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.90 2key h ASP 55 Cb 0.34 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 2key h ASP 55 CO -0.23 0.53 -0.05 0.15 -2.88 0.00 0.00 179.24 176.76 2key h PHE 56 N 1.01 0.24 -0.72 0.28 3.57 -1.33 0.24 116.94 120.24 2key h PHE 56 Ca 0.46 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.94 2key h PHE 56 Cb 0.39 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 2key h PHE 56 CO -0.00 0.58 0.44 -0.07 -2.23 0.00 0.00 178.31 177.03 2key h LEU 57 N -0.16 0.71 -0.13 0.59 -0.00 -0.86 0.18 115.31 115.64 2key h LEU 57 Ca 0.02 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2key h LEU 57 Cb 0.52 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.03 2key h LEU 57 CO 0.02 0.47 0.01 -0.09 -0.00 0.00 0.00 178.44 178.85 2key h ARG 58 N 0.84 0.22 -0.56 1.13 2.43 -0.62 -1.92 114.38 115.90 2key h ARG 58 Ca 0.30 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2key h ARG 58 Cb 0.08 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2key h ARG 58 CO -0.14 0.45 0.37 0.22 -1.51 0.00 0.00 179.97 179.36 2key h ASP 59 N -0.03 0.63 -0.79 -3.80 3.58 -0.13 0.51 116.42 116.38 2key h ASP 59 Ca 0.04 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2key h ASP 59 Cb 0.34 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 2key h ASP 59 CO 0.01 0.46 0.41 0.22 -2.88 0.00 0.00 179.24 177.45 2key h TYR 60 N 0.75 1.12 -0.10 0.28 3.20 -0.61 0.35 116.97 121.96 2key h TYR 60 Ca 0.21 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2key h TYR 60 Cb -0.07 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 37.84 2key h TYR 60 CO -0.04 0.80 0.01 1.25 -1.64 0.00 0.00 178.16 178.54 2key h LEU 61 N 1.11 0.16 -0.30 2.82 5.85 -0.86 -1.69 115.31 122.40 2key h LEU 61 Ca 0.28 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2key h LEU 61 Cb 0.08 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2key h LEU 61 CO -0.04 0.39 0.11 0.40 -0.34 0.00 0.00 178.44 178.96 2key h ILE 62 N -0.07 1.19 -0.82 4.05 2.04 -0.62 -2.81 117.51 120.47 2key h ILE 62 Ca 0.03 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.37 2key h ILE 62 Cb 0.30 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 2key h ILE 62 CO 0.00 0.20 0.53 0.22 0.00 0.00 0.00 178.15 179.10 2key h TYR 63 N 0.33 0.93 -0.47 1.37 3.20 -0.30 0.34 116.97 122.38 2key h TYR 63 Ca 0.10 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.02 2key h TYR 63 Cb 0.20 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 2key h TYR 63 CO -0.00 0.51 0.27 1.98 -1.64 0.00 0.00 178.16 179.28 2key h MET 64 N 0.93 0.53 0.23 1.82 4.05 -1.06 0.10 114.93 121.54 2key h MET 64 Ca 0.34 -0.03 -0.33 0.00 -0.28 0.00 0.00 59.70 59.40 2key h MET 64 Cb 0.16 -0.12 0.04 0.00 -0.80 0.00 0.00 31.60 30.88 2key h MET 64 CO -0.12 0.35 -1.44 -0.22 0.23 0.00 0.00 176.91 175.71 2key h LYS 65 N 0.54 0.56 0.21 0.39 3.11 -1.06 0.12 116.57 120.44 2key h LYS 65 Ca 0.19 -0.91 -0.01 0.00 -2.81 0.00 0.00 60.65 57.11 2key h LYS 65 Cb 0.03 0.33 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 2key h LYS 65 CO -0.09 1.43 -0.10 -0.22 -2.81 0.00 0.00 179.45 177.66 2key h LYS 66 N 0.17 -0.28 0.07 1.90 1.63 -0.27 -2.57 116.57 117.23 2key h LYS 66 Ca -0.24 0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.48 2key h LYS 66 Cb 2.13 0.06 0.01 0.00 -0.60 0.00 0.00 32.23 33.83 2key h LYS 66 CO 0.27 -0.19 -0.41 1.15 -3.45 0.00 0.00 179.45 176.83 2key h THR 67 N -0.71 1.66 0.00 1.00 2.02 -1.18 -3.33 112.91 112.37 2key h THR 67 Ca -0.03 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.71 2key h THR 67 Cb 0.22 3.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 2key h THR 67 CO 0.05 0.66 -0.33 -0.07 0.37 0.00 0.00 175.52 176.21 2key h LEU 68 N -0.68 0.00 2.12 2.58 3.38 -1.32 -3.47 115.31 117.91 2key h LEU 68 Ca -0.07 -0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.55 2key h LEU 68 Cb 1.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2key h LEU 68 CO 0.08 0.01 -0.40 0.00 0.09 0.00 0.00 178.44 178.22 2key s ASN 70 N -2.34 6.28 0.66 0.00 0.02 0.24 -4.92 114.94 114.88 2key s ASN 70 Ca 0.00 0.65 -0.11 0.00 -1.02 0.00 0.00 52.86 52.38 2key s ASN 70 Cb 0.00 -2.12 -0.01 0.00 0.02 0.00 0.00 41.25 39.14 2key s ASN 70 CO 0.00 -0.41 1.05 0.00 0.02 0.00 0.00 177.10 177.76 2key s ALA 71 N -2.49 2.93 0.31 0.60 0.00 -1.26 -3.53 121.76 118.31 2key s ALA 71 Ca 0.43 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2key s ALA 71 Cb -0.10 -3.09 0.50 0.00 0.00 0.00 0.00 23.12 20.43 2key s ALA 71 CO 0.40 -0.95 1.89 0.38 0.00 0.00 0.00 175.76 177.49 2key h ASP 72 N -0.51 0.73 -0.40 0.00 2.03 -1.97 -1.46 116.42 114.83 2key h ASP 72 Ca -0.44 -0.09 0.04 0.00 -0.73 0.00 0.00 57.03 55.81 2key h ASP 72 Cb 1.21 -0.19 -0.04 0.00 -0.83 0.00 0.00 39.33 39.48 2key h ASP 72 CO 0.61 0.66 0.16 0.28 -1.03 0.00 0.00 179.24 179.92 2key h SER 73 N 0.79 0.19 -0.29 4.15 0.02 -1.99 0.31 113.55 116.74 2key h SER 73 Ca 0.19 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2key h SER 73 Cb 0.16 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2key h SER 73 CO -0.02 0.15 0.18 0.74 -1.14 0.00 0.00 176.83 176.74 2key h THR 74 N 0.34 1.10 -0.83 -2.27 2.02 -1.79 -2.22 112.91 109.25 2key h THR 74 Ca 0.18 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2key h THR 74 Cb 0.15 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 2key h THR 74 CO -0.17 0.10 0.49 0.00 0.37 0.00 0.00 175.52 176.30 2key h ALA 75 N 1.07 1.06 -0.37 6.16 0.00 -0.76 -2.24 119.26 124.18 2key h ALA 75 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2key h ALA 75 Cb 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2key h ALA 75 CO -0.02 0.53 0.16 1.96 0.00 0.00 0.00 179.25 181.88 2key h GLN 76 N 1.14 0.51 -0.34 0.00 1.08 -0.07 0.28 115.11 117.71 2key h GLN 76 Ca 0.30 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.32 2key h GLN 76 Cb -0.03 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 2key h GLN 76 CO -0.05 0.41 -0.27 0.00 -0.95 0.00 0.00 178.83 177.97 2key h ARG 77 N 0.51 0.79 -0.27 1.46 2.47 -0.84 0.39 114.38 118.89 2key h ARG 77 Ca 0.13 -0.39 -0.01 0.00 -1.26 0.00 0.00 59.98 58.45 2key h ARG 77 Cb 0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2key h ARG 77 CO -0.02 1.02 0.12 -0.97 0.56 0.00 0.00 179.97 180.68 2key h ASN 78 N 0.57 0.37 0.18 7.04 -0.73 -0.88 -2.96 115.58 119.17 2key h ASN 78 Ca 0.06 -0.14 -0.07 0.00 1.87 0.00 0.00 56.30 58.02 2key h ASN 78 Cb 0.84 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.32 2key h ASN 78 CO 0.07 0.41 -0.27 -0.07 -0.37 0.00 0.00 177.43 177.20 2key h LEU 79 N 0.30 0.15 -2.01 0.34 3.38 -0.38 -2.66 115.31 114.43 2key h LEU 79 Ca 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2key h LEU 79 Cb 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2key h LEU 79 CO -0.01 0.42 -0.06 0.77 0.09 0.00 0.00 178.44 179.65 2key h SER 80 N 0.13 0.00 -0.03 -0.43 4.64 -0.74 -1.29 113.55 115.83 2key h SER 80 Ca 0.02 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.09 2key h SER 80 Cb 0.55 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2key h SER 80 CO 0.04 0.06 -0.97 0.71 -0.87 0.00 0.00 176.83 175.80 2key h THR 81 N 0.00 1.28 -0.26 2.95 1.35 -1.48 -3.08 112.91 113.67 2key h THR 81 Ca -0.00 -2.18 -0.00 0.00 -0.55 0.00 0.00 66.41 63.68 2key h THR 81 Cb 0.32 2.30 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 2key h THR 81 CO 0.01 0.68 0.14 0.40 -0.25 0.00 0.00 175.52 176.50 2key h ILE 82 N 0.41 1.08 -0.76 6.82 2.04 -1.32 -1.77 117.51 124.02 2key h ILE 82 Ca -0.11 -0.20 0.15 0.00 1.00 0.00 0.00 64.86 65.70 2key h ILE 82 Cb 1.62 0.73 -0.10 0.00 -0.74 0.00 0.00 36.82 38.33 2key h ILE 82 CO 0.19 0.09 0.27 0.11 0.00 0.00 0.00 178.15 178.81 2key h LYS 83 N 0.36 0.37 -0.57 2.37 1.79 -1.19 0.15 116.57 119.85 2key h LYS 83 Ca 0.09 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2key h LYS 83 Cb 0.01 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 2key h LYS 83 CO -0.02 0.25 0.37 0.82 -1.08 0.00 0.00 179.45 179.79 2key h ILE 84 N 0.38 1.12 -0.03 1.86 1.08 -1.38 0.48 117.51 121.02 2key h ILE 84 Ca 0.43 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.64 2key h ILE 84 Cb 0.69 0.31 -0.00 0.00 -3.07 0.00 0.00 36.82 34.75 2key h ILE 84 CO -0.45 0.14 0.00 0.22 -0.69 0.00 0.00 178.15 177.37 2key h TYR 85 N 0.74 0.06 0.16 1.37 3.20 -1.15 0.57 116.97 121.93 2key h TYR 85 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2key h TYR 85 Cb -0.05 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.20 2key h TYR 85 CO -0.04 0.32 -0.08 0.28 -1.64 0.00 0.00 178.16 177.00 2key h VAL 86 N -0.21 0.86 -0.93 1.81 2.07 -0.58 -0.44 116.25 118.82 2key h VAL 86 Ca 0.01 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2key h VAL 86 Cb 0.30 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 2key h VAL 86 CO 0.00 0.02 0.61 0.28 0.02 0.00 0.00 177.57 178.50 2key h SER 87 N -0.26 1.02 -0.50 0.57 0.02 -0.02 0.16 113.55 114.55 2key h SER 87 Ca -0.02 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 2key h SER 87 Cb 0.20 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2key h SER 87 CO 0.04 0.71 0.04 0.00 -1.14 0.00 0.00 176.83 176.48 2key h ALA 88 N 1.37 1.04 0.00 3.77 0.00 -0.70 0.33 119.26 125.06 2key h ALA 88 Ca 0.36 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2key h ALA 88 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2key h ALA 88 CO -0.11 0.61 -0.23 0.00 0.00 0.00 0.00 179.25 179.52 2key h ALA 89 N 1.19 1.04 0.17 0.00 0.00 0.13 -1.01 119.26 120.78 2key h ALA 89 Ca 0.17 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 2key h ALA 89 Cb 0.44 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2key h ALA 89 CO 0.02 0.29 -1.43 0.82 0.00 0.00 0.00 179.25 178.95 2key h ILE 90 N 0.00 1.30 -0.22 0.00 2.04 -0.19 0.33 117.51 120.76 2key h ILE 90 Ca -0.00 -2.85 -0.06 0.00 1.00 0.00 0.00 64.86 62.94 2key h ILE 90 Cb 0.73 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.71 2key h ILE 90 CO 0.03 0.85 -0.11 0.50 0.00 0.00 0.00 178.15 179.42 2key h LYS 91 N 0.10 0.47 0.00 2.37 3.64 -0.67 -3.41 116.57 119.06 2key h LYS 91 Ca -0.21 -0.21 -0.20 0.00 -1.27 0.00 0.00 60.65 58.76 2key h LYS 91 Cb 2.05 -0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 33.72 2key h LYS 91 CO 0.21 0.75 -0.35 1.17 -2.27 0.00 0.00 179.45 178.95 2key n LYS 92 N -4.52 0.73 0.00 1.90 4.81 -0.41 -5.07 118.16 115.61 2key n LYS 92 Ca -0.04 -1.58 0.00 0.00 -0.87 0.00 0.00 58.31 55.81 2key n LYS 92 Cb 0.34 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.38 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 0.97 0.15 0.00 3.14 0.00 -0.11 -4.77 105.19 104.58 2key n GLY 93 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.62 0.00 -2.27 1.61 9.36 0.98 -5.00 117.16 121.22 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 -0.92 4.29 -0.06 2.98 -1.94 -0.82 -4.93 119.30 117.89 2key s MET 95 Ca 0.00 1.90 -0.15 0.00 -1.71 0.00 0.00 55.69 55.73 2key s MET 95 Cb 0.00 -3.60 -0.30 0.00 2.01 0.00 0.00 34.83 32.94 2key s MET 95 CO 0.00 -0.57 0.68 0.93 -0.01 0.00 0.00 175.02 176.05 2key h GLU 96 N 7.87 0.34 -5.72 2.03 5.08 -1.91 -3.34 114.58 118.92 2key h GLU 96 Ca -0.36 -0.57 -0.60 0.00 -1.00 0.00 0.00 59.36 56.82 2key h GLU 96 Cb 1.17 0.21 -0.13 0.00 0.50 0.00 0.00 28.75 30.50 2key h GLU 96 CO 0.91 1.27 -0.64 -0.80 -1.00 0.00 0.00 179.01 178.75 2key s ASN 97 N -7.18 3.60 0.15 1.42 -0.87 -1.26 -5.03 114.94 105.78 2key s ASN 97 Ca -0.17 -1.29 -0.20 0.00 -1.57 0.00 0.00 52.86 49.64 2key s ASN 97 Cb 0.04 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.25 40.86 2key s ASN 97 CO 0.82 -0.35 0.65 -1.81 -2.57 0.00 0.00 177.10 173.84 2key s ASP 98 N -3.63 7.09 0.03 -1.22 1.01 -1.26 -4.99 116.67 113.70 2key s ASP 98 Ca 0.34 1.36 -0.04 0.00 0.71 0.00 0.00 52.55 54.91 2key s ASP 98 Cb 0.06 -2.39 -0.28 0.00 1.01 0.00 0.00 42.92 41.32 2key s ASP 98 CO 0.17 0.16 0.96 -0.65 0.21 0.00 0.00 175.17 176.02 2key h PRO 99 N 3.99 0.27 0.00 8.23 0.11 -1.94 -3.37 132.00 139.28 2key h PRO 99 Ca -0.48 -0.45 -0.20 0.00 0.11 0.00 0.00 66.00 64.97 2key h PRO 99 Cb 1.20 0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.45 2key h PRO 99 CO 0.65 1.16 -0.96 0.27 -0.21 0.00 0.00 178.00 178.91 2key h PHE 100 N 0.07 0.00 -0.73 0.65 -0.00 -1.95 -3.14 116.94 111.84 2key h PHE 100 Ca -0.20 0.00 0.16 0.00 -0.00 0.00 0.00 57.97 57.93 2key h PHE 100 Cb 2.01 0.00 -0.13 0.00 -0.00 0.00 0.00 35.95 37.83 2key h PHE 100 CO 0.07 0.92 0.01 0.87 -0.00 0.00 0.00 178.31 180.18 2key h LYS 101 N 0.00 0.11 -0.46 6.09 1.79 -2.00 -1.75 116.57 120.35 2key h LYS 101 Ca -0.02 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.25 2key h LYS 101 Cb 1.72 -0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 32.23 2key h LYS 101 CO 0.12 0.07 0.08 -0.25 -1.08 0.00 0.00 179.45 178.39 2key n ASP 102 N -5.33 3.19 -4.58 0.86 8.00 -1.23 -4.67 116.55 112.80 2key n ASP 102 Ca 0.13 -3.53 -0.31 0.00 0.71 0.00 0.00 54.79 51.79 2key n ASP 102 Cb 0.45 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 2key n ASP 102 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2key s PHE 103 N -3.14 2.08 0.00 1.24 5.36 -0.66 -2.11 117.98 120.75 2key s PHE 103 Ca 0.47 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 2key s PHE 103 Cb 0.41 -4.15 0.00 0.00 -0.34 0.00 0.00 43.02 38.93 2key s PHE 103 CO 0.05 -1.42 0.00 0.41 -1.46 0.00 0.00 175.22 172.80 2key n GLY 104 N 5.97 2.11 0.09 13.12 0.00 -1.26 -4.86 105.19 120.36 2key n GLY 104 Ca 0.44 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.58 2key n GLY 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2key h LEU 105 N 0.00 0.00 -9.40 0.99 5.85 -1.76 -3.46 115.31 107.53 2key h LEU 105 Ca 0.00 -0.13 -0.54 0.00 0.84 0.00 0.00 57.88 58.04 2key h LEU 105 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2key h LEU 105 CO 0.00 0.07 0.63 -0.70 -0.34 0.00 0.00 178.44 178.09 2key s GLU 106 N -3.22 4.39 -0.20 1.25 -6.30 -0.90 -4.91 118.70 108.81 2key s GLU 106 Ca 0.04 1.73 -0.02 0.00 -2.50 0.00 0.00 54.97 54.23 2key s GLU 106 Cb 0.12 -3.45 0.07 0.00 0.00 0.00 0.00 34.13 30.87 2key s GLU 106 CO 0.73 -0.35 2.31 0.72 0.02 0.00 0.00 175.26 178.69 2key n HIS 107 N 4.54 0.91 -2.12 5.30 8.25 -1.26 -4.81 115.22 126.03 2key n HIS 107 Ca 0.10 -1.62 -0.00 0.00 -0.26 0.00 0.00 57.72 55.93 2key n HIS 107 Cb 0.46 -0.95 -0.00 0.00 1.12 0.00 0.00 29.99 30.62 2key n HIS 107 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2key n HIS 108 N 1.02 -2.10 -1.69 4.41 8.25 -1.26 -4.93 115.22 118.91 2key n HIS 108 Ca 0.25 0.96 -0.42 0.00 -0.26 0.00 0.00 57.72 58.25 2key n HIS 108 Cb 0.59 -2.80 -0.03 0.00 1.12 0.00 0.00 29.99 28.87 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 -0.80 1.89 0.31 4.41 2.46 -1.26 -4.88 115.29 117.43 2key s HIS 109 Ca -0.01 -0.16 0.09 0.00 0.47 0.00 0.00 55.06 55.44 2key s HIS 109 Cb 0.00 -4.21 0.86 0.00 -0.13 0.00 0.00 32.58 29.10 2key s HIS 109 CO 0.41 -5.12 1.73 1.12 -2.47 0.00 0.00 174.74 170.41 2key h HIS 110 N 9.15 0.99 0.00 3.88 2.07 -2.04 -3.44 115.15 125.76 2key h HIS 110 Ca -0.47 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 2key h HIS 110 Cb 1.22 -0.28 0.00 0.00 2.57 0.00 0.00 27.41 30.92 2key h HIS 110 CO 0.84 0.07 0.00 1.58 -3.07 0.00 0.00 177.93 177.35 2key n HIS 111 N -4.89 0.00 -0.51 6.12 -0.00 -1.26 -5.32 115.22 109.37 2key n HIS 111 Ca 0.26 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.44 2key n HIS 111 Cb 0.72 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.59 2key n HIS 111 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38