#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 -0.17 -0.19 7.83 2.47 -1.26 -5.06 114.94 118.57 2key s ASN 2 Ca 0.00 -0.72 -0.05 0.00 0.42 0.00 0.00 52.86 52.52 2key s ASN 2 Cb 0.00 0.59 0.01 0.00 -1.45 0.00 0.00 41.25 40.40 2key s ASN 2 CO 0.00 -1.12 0.18 -3.20 -3.72 0.00 0.00 177.10 169.24 2key n ASN 3 N -0.37 -4.92 -4.85 -4.21 5.15 -1.26 -5.02 115.26 99.78 2key n ASN 3 Ca -0.05 0.43 -0.32 0.00 -0.60 0.00 0.00 54.58 54.04 2key n ASN 3 Cb 0.62 -3.14 -0.06 0.00 -0.53 0.00 0.00 39.78 36.67 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 -1.41 3.99 -2.08 1.20 0.04 -1.26 -4.04 135.00 131.44 2key s PRO 4 Ca 0.08 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2key s PRO 4 Cb -0.02 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2key s PRO 4 CO 0.38 0.09 0.00 0.45 0.04 0.00 0.00 177.00 177.96 2key n SER 5 N -0.59 -5.50 -0.01 6.66 2.88 -1.26 -4.75 113.62 111.05 2key n SER 5 Ca 0.04 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2key n SER 5 Cb 0.53 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 59.25 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 -1.38 0.69 -4.74 -3.46 -0.08 -1.26 -5.03 116.55 101.30 2key n ASP 6 Ca -0.21 -1.38 -0.38 0.00 -1.51 0.00 0.00 54.79 51.32 2key n ASP 6 Cb 0.67 -0.01 0.05 0.00 2.34 0.00 0.00 41.12 44.18 2key n ASP 6 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2key s PHE 7 N -0.36 2.18 -0.18 -0.67 0.08 -1.26 -4.93 117.98 112.83 2key s PHE 7 Ca 0.00 1.42 0.20 0.00 0.12 0.00 0.00 56.93 58.68 2key s PHE 7 Cb 0.00 -3.76 -0.08 0.00 -0.57 0.00 0.00 43.02 38.61 2key s PHE 7 CO 0.00 -2.94 0.90 0.36 -0.10 0.00 0.00 175.22 173.44 2key n LYS 8 N -1.43 0.62 -4.45 0.44 0.00 -1.26 -4.26 118.16 107.82 2key n LYS 8 Ca 0.13 0.13 -0.22 0.00 -0.00 0.00 0.00 58.31 58.35 2key n LYS 8 Cb 0.46 -1.79 -0.10 0.00 -0.00 0.00 0.00 35.03 33.60 2key n LYS 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2key s SER 9 N -5.45 3.05 -0.01 -5.58 0.01 -1.26 -0.58 113.70 103.89 2key s SER 9 Ca -0.02 -1.15 -0.24 0.00 1.31 0.00 0.00 55.95 55.85 2key s SER 9 Cb 0.09 -0.22 -0.16 0.00 0.21 0.00 0.00 66.02 65.95 2key s SER 9 CO 0.81 -0.24 1.13 -0.26 0.41 0.00 0.00 173.24 175.09 2key h PHE 10 N 2.26 -0.36 0.00 2.43 0.04 -1.94 -1.27 116.94 118.10 2key h PHE 10 Ca -0.40 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.33 2key h PHE 10 Cb 1.24 0.12 -0.00 0.00 2.20 0.00 0.00 35.95 39.50 2key h PHE 10 CO 0.72 -0.01 -0.13 1.25 -0.60 0.00 0.00 178.31 179.54 2key h HIS 11 N -0.81 0.00 -0.23 -0.55 -0.00 -1.97 -0.61 115.15 110.98 2key h HIS 11 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 2key h HIS 11 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 2key h HIS 11 CO 0.04 0.13 0.04 0.22 -0.00 0.00 0.00 177.93 178.36 2key h ASP 12 N 0.00 0.37 -0.35 3.26 3.58 -1.94 0.38 116.42 121.71 2key h ASP 12 Ca -0.00 -0.26 -0.05 0.00 0.42 0.00 0.00 57.03 57.14 2key h ASP 12 Cb 0.69 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 2key h ASP 12 CO 0.02 0.53 0.01 0.15 -2.88 0.00 0.00 179.24 177.07 2key h PHE 13 N 0.19 0.67 -0.28 0.28 3.04 -0.86 -3.04 116.94 116.93 2key h PHE 13 Ca 0.07 -0.11 0.04 0.00 3.98 0.00 0.00 57.97 61.95 2key h PHE 13 Cb 0.32 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.62 2key h PHE 13 CO 0.02 0.71 0.04 0.28 -2.02 0.00 0.00 178.31 177.34 2key h VAL 14 N 0.44 0.85 -0.30 1.41 2.07 -0.92 -2.36 116.25 117.43 2key h VAL 14 Ca 0.10 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2key h VAL 14 Cb 0.44 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2key h VAL 14 CO 0.02 0.03 0.16 0.00 0.02 0.00 0.00 177.57 177.79 2key h ALA 15 N 1.22 0.37 -0.60 1.67 0.00 -0.21 0.55 119.26 122.26 2key h ALA 15 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2key h ALA 15 Cb 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2key h ALA 15 CO -0.19 -0.22 0.17 1.03 0.00 0.00 0.00 179.25 180.05 2key h SER 16 N 0.33 0.89 -0.15 0.00 0.87 -1.43 0.13 113.55 114.19 2key h SER 16 Ca 0.12 -0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.35 2key h SER 16 Cb 0.03 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 2key h SER 16 CO -0.08 0.87 -0.34 0.22 -0.53 0.00 0.00 176.83 176.98 2key h TYR 17 N 0.86 0.63 0.00 2.24 3.20 -1.03 -3.18 116.97 119.70 2key h TYR 17 Ca 0.19 -0.24 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 2key h TYR 17 Cb 0.32 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2key h TYR 17 CO 0.02 0.97 -0.33 1.98 -1.64 0.00 0.00 178.16 179.16 2key h MET 18 N 0.12 0.00 -0.84 1.82 4.05 0.22 0.15 114.93 120.45 2key h MET 18 Ca -0.00 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.56 2key h MET 18 Cb 0.95 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.65 2key h MET 18 CO 0.08 0.33 0.43 -0.22 0.23 0.00 0.00 176.91 177.76 2key h LYS 19 N 0.00 0.60 0.17 0.39 3.11 -0.71 0.49 116.57 120.63 2key h LYS 19 Ca -0.00 -0.04 -0.34 0.00 -2.81 0.00 0.00 60.65 57.46 2key h LYS 19 Cb 0.66 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 31.76 2key h LYS 19 CO 0.04 0.40 -1.72 1.15 -2.81 0.00 0.00 179.45 176.51 2key h THR 20 N 0.62 0.93 0.00 1.00 2.02 -1.51 -3.35 112.91 112.62 2key h THR 20 Ca 0.46 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 65.15 2key h THR 20 Cb 0.64 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.79 2key h THR 20 CO -0.36 0.84 0.00 0.22 0.37 0.00 0.00 175.52 176.59 2key h TYR 21 N 0.04 0.00 0.00 3.16 3.20 -0.24 -2.46 116.97 120.68 2key h TYR 21 Ca -0.34 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.53 2key h TYR 21 Cb 2.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.32 2key h TYR 21 CO 0.10 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.28 2key h SER 22 N 0.00 0.00 0.52 -2.11 4.64 -0.16 -0.09 113.55 116.35 2key h SER 22 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2key h SER 22 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2key h SER 22 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 2key n ARG 23 N -2.83 0.04 -0.05 4.77 5.12 -0.93 -1.17 116.66 121.61 2key n ARG 23 Ca -0.02 0.29 0.06 0.00 -1.93 0.00 0.00 57.85 56.26 2key n ARG 23 Cb 0.12 -1.57 0.08 0.00 -1.16 0.00 0.00 32.46 29.94 2key n ARG 23 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2key n ARG 24 N -1.63 1.30 -5.23 5.56 5.12 -0.05 -4.98 116.66 116.75 2key n ARG 24 Ca 0.03 -1.48 -0.31 0.00 -1.93 0.00 0.00 57.85 54.16 2key n ARG 24 Cb 0.17 -1.26 -0.17 0.00 -1.16 0.00 0.00 32.46 30.05 2key n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2key s LEU 25 N -1.04 2.07 0.68 0.55 1.02 -0.32 -5.13 118.68 116.52 2key s LEU 25 Ca 0.18 -0.53 -0.11 0.00 0.02 0.00 0.00 54.13 53.69 2key s LEU 25 Cb 0.11 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 44.95 2key s LEU 25 CO 0.16 0.20 1.06 -0.70 0.02 0.00 0.00 176.35 177.09 2key s GLU 26 N 0.08 3.04 0.29 1.70 -6.30 -1.26 -4.88 118.70 111.38 2key s GLU 26 Ca -0.11 0.83 0.01 0.00 -2.50 0.00 0.00 54.97 53.20 2key s GLU 26 Cb -0.16 -2.01 0.45 0.00 0.00 0.00 0.00 34.13 32.41 2key s GLU 26 CO 0.06 -0.99 1.81 0.82 0.02 0.00 0.00 175.26 176.98 2key h ILE 27 N -0.63 1.23 -0.48 -3.70 1.08 -1.98 -1.24 117.51 111.78 2key h ILE 27 Ca -0.44 -0.92 0.06 0.00 -0.39 0.00 0.00 64.86 63.17 2key h ILE 27 Cb 1.21 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 35.82 2key h ILE 27 CO 0.59 0.32 0.18 1.23 -0.69 0.00 0.00 178.15 179.78 2key h GLY 28 N 0.93 0.64 1.73 5.37 0.00 -2.00 -0.03 103.07 109.71 2key h GLY 28 Ca 0.13 -0.11 -0.25 0.00 0.00 0.00 0.00 47.33 47.10 2key h GLY 28 CO 0.02 0.03 -1.14 0.00 0.00 0.00 0.00 176.54 175.44 2key h THR 29 N 0.37 1.55 0.23 4.70 1.03 -1.92 -3.19 112.91 115.68 2key h THR 29 Ca 0.22 -3.09 -0.01 0.00 -0.01 0.00 0.00 66.41 63.53 2key h THR 29 Cb 0.21 2.86 -0.00 0.00 -1.07 0.00 0.00 68.15 70.15 2key h THR 29 CO -0.21 0.90 -0.12 0.15 -0.01 0.00 0.00 175.52 176.22 2key h PHE 30 N 0.07 -0.32 0.00 0.00 3.57 -0.79 -2.57 116.94 116.90 2key h PHE 30 Ca -0.10 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 2key h PHE 30 Cb 1.87 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 40.72 2key h PHE 30 CO 0.05 -0.19 -0.11 0.07 -2.23 0.00 0.00 178.31 175.89 2key h ARG 31 N -0.33 0.00 0.00 1.11 0.11 -1.13 -2.89 114.38 111.26 2key h ARG 31 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2key h ARG 31 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2key h ARG 31 CO 0.04 0.11 0.00 1.25 0.10 0.00 0.00 179.97 181.47 2key h HIS 32 N 0.00 0.00 -0.16 4.08 2.76 -1.44 -2.54 115.15 117.85 2key h HIS 32 Ca -0.00 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.97 2key h HIS 32 Cb 0.34 0.00 -0.37 0.00 1.55 0.00 0.00 27.41 28.93 2key h HIS 32 CO 0.00 0.00 -0.99 -2.39 -1.30 0.00 0.00 177.93 173.25 2key n HIS 33 N -2.45 0.38 -0.11 5.26 1.44 -1.10 -4.92 115.22 113.73 2key n HIS 33 Ca -0.00 -1.16 -0.20 0.00 -2.01 0.00 0.00 57.72 54.35 2key n HIS 33 Cb 0.14 -0.07 -0.08 0.00 0.12 0.00 0.00 29.99 30.10 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 -0.02 0.55 0.06 -1.40 4.81 -0.96 -4.62 118.16 116.57 2key n LYS 34 Ca 0.03 0.38 -0.05 0.00 -0.87 0.00 0.00 58.31 57.80 2key n LYS 34 Cb 0.98 -1.58 0.14 0.00 0.02 0.00 0.00 35.03 34.59 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 -1.00 0.39 0.01 3.14 0.02 -1.91 -3.34 113.55 110.86 2key h SER 35 Ca -0.37 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2key h SER 35 Cb 1.25 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 2key h SER 35 CO -0.22 0.81 -0.02 0.00 -1.14 0.00 0.00 176.83 176.26 2key h MET 37 N -0.03 0.00 0.19 0.00 2.86 -1.86 -2.35 114.93 113.74 2key h MET 37 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2key h MET 37 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2key h MET 37 CO -0.01 0.20 -0.09 -0.09 1.06 0.00 0.00 176.91 177.98 2key h ARG 38 N 0.00 -0.25 -0.50 1.72 2.43 -1.58 -2.95 114.38 113.26 2key h ARG 38 Ca -0.00 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 2key h ARG 38 Cb 0.51 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2key h ARG 38 CO 0.03 -0.12 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.07 2key h LYS 39 N -0.31 0.89 -0.60 0.20 3.11 -0.93 -2.85 116.57 116.07 2key h LYS 39 Ca -0.03 -0.29 0.13 0.00 -2.81 0.00 0.00 60.65 57.65 2key h LYS 39 Cb 0.24 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.36 2key h LYS 39 CO 0.04 0.93 0.41 0.35 -2.81 0.00 0.00 179.45 178.38 2key h PHE 40 N 0.81 0.28 -3.82 1.91 3.57 -1.31 -3.48 116.94 114.89 2key h PHE 40 Ca 0.14 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2key h PHE 40 Cb 0.59 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 2key h PHE 40 CO 0.03 0.12 -0.73 1.17 -2.23 0.00 0.00 178.31 176.67 2key n LYS 41 N -4.44 -2.57 0.00 1.11 3.00 -1.08 -5.01 118.16 109.16 2key n LYS 41 Ca 0.11 2.14 0.00 0.00 -0.00 0.00 0.00 58.31 60.56 2key n LYS 41 Cb 0.50 -3.01 0.00 0.00 0.00 0.00 0.00 35.03 32.52 2key n LYS 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2key n GLU 42 N 0.93 0.00 -3.91 1.64 -0.58 -1.26 -4.90 120.64 112.56 2key n GLU 42 Ca -0.14 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.29 2key n GLU 42 Cb 0.22 -0.98 0.03 0.00 -0.57 0.00 0.00 31.44 30.14 2key n GLU 42 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2key n TYR 43 N -0.49 -2.30 -3.31 -0.32 9.36 -1.26 -4.98 117.16 113.86 2key n TYR 43 Ca 0.00 0.91 -0.33 0.00 3.32 0.00 0.00 57.90 61.79 2key n TYR 43 Cb 0.00 -3.99 -0.06 0.00 -0.63 0.00 0.00 39.34 34.66 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 0.16 1.97 0.00 0.00 2.13 -1.21 -4.05 120.64 119.64 2key n GLU 45 Ca -0.01 -3.20 0.00 0.00 0.66 0.00 0.00 57.16 54.61 2key n GLU 45 Cb 0.52 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.33 2key n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2key n GLY 46 N -1.12 4.19 3.15 8.31 0.00 0.26 -4.99 105.19 115.00 2key n GLY 46 Ca 0.39 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 2.01 0.00 0.99 1.98 -1.26 -4.93 118.68 117.47 2key s LEU 47 Ca 0.00 -0.55 0.02 0.00 -2.89 0.00 0.00 54.13 50.71 2key s LEU 47 Cb 0.00 -1.35 0.02 0.00 0.66 0.00 0.00 46.19 45.53 2key s LEU 47 CO 0.00 0.08 0.18 0.00 -1.89 0.00 0.00 176.35 174.73 2key n GLN 48 N 3.97 0.91 0.23 1.98 3.00 -1.26 -5.05 117.38 121.16 2key n GLN 48 Ca -0.20 -2.88 -0.13 0.00 -0.01 0.00 0.00 57.00 53.78 2key n GLN 48 Cb 0.52 0.52 -0.07 0.00 0.00 0.00 0.00 30.24 31.21 2key n GLN 48 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 2key h PHE 49 N 0.89 -0.58 -1.08 1.08 3.57 -1.94 -3.29 116.94 115.59 2key h PHE 49 Ca -0.31 -0.01 -0.74 0.00 3.53 0.00 0.00 57.97 60.43 2key h PHE 49 Cb 1.03 0.19 -0.12 0.00 2.79 0.00 0.00 35.95 39.84 2key h PHE 49 CO 0.00 -0.26 2.33 1.58 -2.23 0.00 0.00 178.31 179.73 2key n HIS 50 N -5.23 2.94 0.00 0.41 -0.00 -1.26 -3.59 115.22 108.49 2key n HIS 50 Ca -0.10 -2.83 0.00 0.00 0.46 0.00 0.00 57.72 55.25 2key n HIS 50 Cb 0.30 -2.04 0.00 0.00 -0.12 0.00 0.00 29.99 28.13 2key n HIS 50 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2key n GLU 51 N 3.87 0.00 -2.79 1.57 0.00 -1.24 -4.96 120.64 117.09 2key n GLU 51 Ca 0.46 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 57.19 2key n GLU 51 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 31.44 31.76 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 -4.86 4.52 0.00 4.31 1.98 -1.24 -4.57 118.68 118.83 2key s LEU 52 Ca 0.00 -2.56 0.01 0.00 -2.89 0.00 0.00 54.13 48.69 2key s LEU 52 Cb 0.00 -2.47 -0.00 0.00 0.66 0.00 0.00 46.19 44.37 2key s LEU 52 CO 0.00 -0.99 0.03 0.35 -1.89 0.00 0.00 176.35 173.84 2key n THR 53 N 5.50 0.00 -0.33 3.68 -2.24 -1.26 -4.81 114.28 114.82 2key n THR 53 Ca 0.39 -1.70 0.11 0.00 -2.27 0.00 0.00 64.05 60.57 2key n THR 53 Cb 0.45 0.41 0.31 0.00 -2.10 0.00 0.00 70.33 69.40 2key n THR 53 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2key h GLU 54 N 0.00 0.79 -0.46 -0.78 3.07 -1.93 0.08 114.58 115.36 2key h GLU 54 Ca -0.28 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.42 2key h GLU 54 Cb 0.90 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 2key h GLU 54 CO 0.46 0.53 -0.16 0.22 -1.40 0.00 0.00 179.01 178.66 2key h ASP 55 N 0.82 0.89 -0.42 1.42 3.58 -1.95 -1.37 116.42 119.40 2key h ASP 55 Ca 0.52 -0.30 -0.15 0.00 0.42 0.00 0.00 57.03 57.51 2key h ASP 55 Cb 0.73 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2key h ASP 55 CO -0.29 1.05 -0.33 0.15 -2.88 0.00 0.00 179.24 176.93 2key h PHE 56 N 0.78 1.14 -0.05 0.28 3.04 -1.41 -0.13 116.94 120.59 2key h PHE 56 Ca 0.12 -0.32 0.02 0.00 3.98 0.00 0.00 57.97 61.77 2key h PHE 56 Cb 0.69 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 2key h PHE 56 CO 0.04 1.15 -0.07 -0.07 -2.02 0.00 0.00 178.31 177.35 2key h LEU 57 N 0.79 -0.21 -0.63 0.59 -0.00 -0.81 0.14 115.31 115.18 2key h LEU 57 Ca 0.08 0.04 -0.13 0.00 -0.00 0.00 0.00 57.88 57.87 2key h LEU 57 Cb 0.93 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 2key h LEU 57 CO 0.09 -0.10 -0.34 0.08 -0.00 0.00 0.00 178.44 178.17 2key h ARG 58 N -0.10 0.70 -0.38 1.13 0.11 -1.20 -0.54 114.38 114.10 2key h ARG 58 Ca 0.05 -0.33 -0.05 0.00 0.10 0.00 0.00 59.98 59.75 2key h ARG 58 Cb 0.16 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 2key h ARG 58 CO -0.11 0.94 0.05 0.22 0.10 0.00 0.00 179.97 181.16 2key h ASP 59 N 0.59 0.62 -0.39 0.08 3.58 -0.77 0.24 116.42 120.37 2key h ASP 59 Ca 0.06 -0.27 -0.10 0.00 0.42 0.00 0.00 57.03 57.14 2key h ASP 59 Cb 0.86 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2key h ASP 59 CO 0.07 0.73 -0.10 0.22 -2.88 0.00 0.00 179.24 177.28 2key h TYR 60 N 0.48 0.92 0.37 0.28 3.20 -0.64 0.37 116.97 121.95 2key h TYR 60 Ca 0.11 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 2key h TYR 60 Cb 0.39 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2key h TYR 60 CO 0.03 0.90 -0.20 1.25 -1.64 0.00 0.00 178.16 178.50 2key h LEU 61 N 0.76 -0.48 -0.30 2.82 5.85 -0.77 -0.54 115.31 122.65 2key h LEU 61 Ca 0.13 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2key h LEU 61 Cb 0.60 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2key h LEU 61 CO 0.04 -0.32 0.07 0.40 -0.34 0.00 0.00 178.44 178.29 2key h ILE 62 N -0.52 0.87 -0.44 4.05 1.08 -0.30 0.28 117.51 122.53 2key h ILE 62 Ca -0.05 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2key h ILE 62 Cb 0.42 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 2key h ILE 62 CO 0.07 0.03 0.28 0.22 -0.69 0.00 0.00 178.15 178.06 2key h TYR 63 N 0.19 0.56 -0.20 1.37 3.20 -0.84 0.42 116.97 121.67 2key h TYR 63 Ca 0.14 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 2key h TYR 63 Cb 0.14 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2key h TYR 63 CO -0.16 0.37 -0.40 1.98 -1.64 0.00 0.00 178.16 178.31 2key h MET 64 N 0.59 0.62 -0.02 1.82 4.05 -0.76 0.13 114.93 121.36 2key h MET 64 Ca 0.16 -0.40 -0.02 0.00 -0.28 0.00 0.00 59.70 59.16 2key h MET 64 Cb -0.04 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 2key h MET 64 CO -0.03 1.02 -0.07 -0.22 0.23 0.00 0.00 176.91 177.84 2key h LYS 65 N 0.30 0.09 0.00 0.39 3.11 -0.32 -1.11 116.57 119.02 2key h LYS 65 Ca 0.01 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 2key h LYS 65 Cb 1.00 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.24 2key h LYS 65 CO 0.09 0.67 -0.16 -0.22 -2.81 0.00 0.00 179.45 177.02 2key h LYS 66 N -0.49 0.00 -0.01 1.90 3.11 -0.25 -2.85 116.57 117.99 2key h LYS 66 Ca -0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2key h LYS 66 Cb 0.68 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.91 2key h LYS 66 CO 0.01 0.00 -0.00 1.15 -2.81 0.00 0.00 179.45 177.80 2key h THR 67 N -0.70 1.33 0.00 1.00 2.02 -1.15 -2.74 112.91 112.66 2key h THR 67 Ca 0.00 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 2key h THR 67 Cb 0.16 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2key h THR 67 CO 0.00 0.26 0.00 0.18 0.37 0.00 0.00 175.52 176.33 2key n LEU 68 N -4.88 0.00 -1.87 2.58 4.77 0.30 -4.90 117.00 113.00 2key n LEU 68 Ca -0.08 0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 56.12 2key n LEU 68 Cb 0.22 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2key n LEU 68 CO 0.34 -0.03 -0.21 0.00 -1.33 0.00 0.00 177.39 176.16 2key s ASN 70 N -2.34 5.02 0.52 0.00 0.01 -0.45 -4.97 114.94 112.73 2key s ASN 70 Ca 0.00 0.26 0.01 0.00 -0.71 0.00 0.00 52.86 52.42 2key s ASN 70 Cb 0.00 -1.01 0.02 0.00 0.41 0.00 0.00 41.25 40.67 2key s ASN 70 CO 0.00 -1.40 0.74 0.00 -1.51 0.00 0.00 177.10 174.93 2key s ALA 71 N -3.04 3.86 0.30 0.60 0.00 -1.26 -4.34 121.76 117.88 2key s ALA 71 Ca 0.59 -1.25 0.15 0.00 0.00 0.00 0.00 51.96 51.45 2key s ALA 71 Cb -0.11 -2.09 0.69 0.00 0.00 0.00 0.00 23.12 21.62 2key s ALA 71 CO 0.42 -0.64 1.77 0.38 0.00 0.00 0.00 175.76 177.70 2key h ASP 72 N 0.17 0.00 -0.64 0.00 2.03 -1.98 -2.02 116.42 113.98 2key h ASP 72 Ca -0.43 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 55.92 2key h ASP 72 Cb 1.28 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.73 2key h ASP 72 CO 0.54 0.41 0.36 0.28 -1.03 0.00 0.00 179.24 179.79 2key h SER 73 N 0.00 0.54 -0.25 4.15 0.02 -1.99 0.48 113.55 116.50 2key h SER 73 Ca -0.00 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 2key h SER 73 Cb 0.79 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 2key h SER 73 CO 0.05 0.35 -0.21 0.74 -1.14 0.00 0.00 176.83 176.62 2key h THR 74 N 0.67 1.31 -0.40 -2.27 2.02 -1.87 -2.77 112.91 109.60 2key h THR 74 Ca 0.28 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 2key h THR 74 Cb 0.16 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2key h THR 74 CO -0.17 0.42 0.25 0.00 0.37 0.00 0.00 175.52 176.39 2key h ALA 75 N 0.69 0.52 -0.51 6.16 0.00 -0.84 -1.26 119.26 124.00 2key h ALA 75 Ca 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2key h ALA 75 Cb 0.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2key h ALA 75 CO 0.05 0.00 0.17 1.96 0.00 0.00 0.00 179.25 181.43 2key h GLN 76 N 0.54 0.76 -0.22 0.00 1.08 -0.08 0.19 115.11 117.36 2key h GLN 76 Ca 0.15 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2key h GLN 76 Cb -0.01 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 2key h GLN 76 CO -0.03 0.65 -0.04 -0.09 -0.95 0.00 0.00 178.83 178.37 2key h ARG 77 N 0.74 0.42 -0.47 1.46 2.43 -1.16 0.12 114.38 117.93 2key h ARG 77 Ca 0.17 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2key h ARG 77 Cb 0.21 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2key h ARG 77 CO -0.01 0.65 0.17 -0.91 -1.51 0.00 0.00 179.97 178.36 2key h ASN 78 N 0.16 0.66 -0.16 -3.80 4.21 -0.82 -1.53 115.58 114.30 2key h ASN 78 Ca 0.06 -0.18 -0.05 0.00 1.21 0.00 0.00 56.30 57.33 2key h ASN 78 Cb 0.48 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.50 2key h ASN 78 CO 0.02 0.66 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.71 2key h LEU 79 N 0.62 0.43 -1.17 1.61 3.38 -0.60 -1.40 115.31 118.18 2key h LEU 79 Ca 0.16 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2key h LEU 79 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2key h LEU 79 CO -0.01 0.53 -0.24 -1.28 0.09 0.00 0.00 178.44 177.53 2key h SER 80 N 0.44 0.00 -0.07 -0.43 0.87 -0.50 0.26 113.55 114.12 2key h SER 80 Ca 0.09 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.45 2key h SER 80 Cb 0.36 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2key h SER 80 CO 0.01 0.24 -0.76 0.74 -0.53 0.00 0.00 176.83 176.54 2key h THR 81 N 0.00 1.32 -0.79 2.23 2.02 -0.27 -2.78 112.91 114.65 2key h THR 81 Ca -0.00 -2.03 -0.04 0.00 0.77 0.00 0.00 66.41 65.11 2key h THR 81 Cb 0.73 2.25 -0.04 0.00 -1.74 0.00 0.00 68.15 69.35 2key h THR 81 CO 0.03 0.62 0.36 0.40 0.37 0.00 0.00 175.52 177.30 2key h ILE 82 N 0.29 1.25 -0.66 3.11 2.04 -1.03 -2.39 117.51 120.12 2key h ILE 82 Ca -0.07 -0.74 0.15 0.00 1.00 0.00 0.00 64.86 65.20 2key h ILE 82 Cb 1.41 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 2key h ILE 82 CO 0.15 0.31 0.45 0.50 0.00 0.00 0.00 178.15 179.57 2key h LYS 83 N 1.14 0.21 0.22 2.37 3.11 -0.35 -1.62 116.57 121.65 2key h LYS 83 Ca 0.27 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.09 2key h LYS 83 Cb 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.33 2key h LYS 83 CO -0.03 0.14 -0.11 0.82 -2.81 0.00 0.00 179.45 177.47 2key h ILE 84 N 0.22 0.82 -0.04 2.00 2.04 -1.14 0.45 117.51 121.87 2key h ILE 84 Ca 0.32 -0.23 -0.15 0.00 1.00 0.00 0.00 64.86 65.80 2key h ILE 84 Cb 0.95 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2key h ILE 84 CO -0.06 0.05 -0.66 0.10 0.00 0.00 0.00 178.15 177.57 2key h TYR 85 N -0.41 0.21 0.06 1.37 -0.00 -1.54 -1.32 116.97 115.34 2key h TYR 85 Ca -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 58.73 58.61 2key h TYR 85 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 36.73 37.01 2key h TYR 85 CO -0.03 0.77 -0.03 0.28 -0.00 0.00 0.00 178.16 179.15 2key h VAL 86 N 0.11 1.11 -0.82 -0.90 2.07 -1.18 0.67 116.25 117.31 2key h VAL 86 Ca -0.01 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2key h VAL 86 Cb 1.19 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.39 2key h VAL 86 CO 0.10 0.14 0.54 0.28 0.02 0.00 0.00 177.57 178.65 2key h SER 87 N -0.33 0.86 -0.37 0.57 0.02 0.01 0.21 113.55 114.52 2key h SER 87 Ca -0.01 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 2key h SER 87 Cb 0.29 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2key h SER 87 CO 0.01 0.58 -0.13 0.00 -1.14 0.00 0.00 176.83 176.15 2key h ALA 88 N 1.53 0.51 0.00 3.77 0.00 -1.11 -1.60 119.26 122.36 2key h ALA 88 Ca 0.33 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2key h ALA 88 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2key h ALA 88 CO -0.10 0.41 -0.30 0.00 0.00 0.00 0.00 179.25 179.25 2key h ALA 89 N 0.81 1.22 0.03 0.00 0.00 0.21 -0.35 119.26 121.18 2key h ALA 89 Ca 0.09 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 2key h ALA 89 Cb 0.66 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2key h ALA 89 CO 0.05 0.38 -1.03 0.82 0.00 0.00 0.00 179.25 179.47 2key h ILE 90 N 0.00 1.61 0.02 0.00 2.04 -0.50 0.42 117.51 121.10 2key h ILE 90 Ca -0.00 -3.14 -0.19 0.00 1.00 0.00 0.00 64.86 62.53 2key h ILE 90 Cb 0.66 2.78 0.02 0.00 -0.74 0.00 0.00 36.82 39.53 2key h ILE 90 CO 0.04 0.91 -0.74 0.50 0.00 0.00 0.00 178.15 178.85 2key h LYS 91 N 0.04 0.46 -0.26 2.37 3.64 -0.72 -3.43 116.57 118.67 2key h LYS 91 Ca -0.05 -0.53 -0.09 0.00 -1.27 0.00 0.00 60.65 58.72 2key h LYS 91 Cb 1.75 0.16 -0.15 0.00 -0.41 0.00 0.00 32.23 33.58 2key h LYS 91 CO 0.15 1.18 -0.24 1.17 -2.27 0.00 0.00 179.45 179.43 2key n LYS 92 N -4.12 0.32 0.11 1.90 3.00 -0.19 -5.07 118.16 114.11 2key n LYS 92 Ca -0.11 -1.18 0.00 0.00 -0.00 0.00 0.00 58.31 57.02 2key n LYS 92 Cb 0.74 -0.59 0.00 0.00 0.00 0.00 0.00 35.03 35.19 2key n LYS 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2key n GLY 93 N 2.18 -0.79 1.88 3.14 0.00 -0.20 -4.76 105.19 106.65 2key n GLY 93 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.11 -2.63 -1.62 1.61 9.36 0.13 -4.99 117.16 115.90 2key n TYR 94 Ca 0.00 0.21 -0.30 0.00 3.32 0.00 0.00 57.90 61.13 2key n TYR 94 Cb 0.00 0.92 0.08 0.00 -0.63 0.00 0.00 39.34 39.71 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 -2.00 2.37 0.00 2.98 -1.94 -0.80 -4.86 119.30 115.05 2key s MET 95 Ca 0.00 0.65 0.00 0.00 -1.71 0.00 0.00 55.69 54.63 2key s MET 95 Cb 0.00 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 34.89 2key s MET 95 CO 0.00 -1.42 0.00 0.39 -0.01 0.00 0.00 175.02 173.98 2key n GLU 96 N -3.30 0.78 -4.84 2.03 1.02 -1.26 -3.81 120.64 111.26 2key n GLU 96 Ca 0.07 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.89 2key n GLU 96 Cb 0.56 -0.80 -0.13 0.00 -0.02 0.00 0.00 31.44 31.05 2key n GLU 96 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2key s ASN 97 N -3.14 3.96 0.28 1.62 0.02 -1.26 -4.97 114.94 111.46 2key s ASN 97 Ca 0.00 -0.26 -0.29 0.00 -1.02 0.00 0.00 52.86 51.30 2key s ASN 97 Cb 0.00 -0.78 -0.09 0.00 0.02 0.00 0.00 41.25 40.39 2key s ASN 97 CO 0.00 0.32 0.99 -0.62 0.02 0.00 0.00 177.10 177.82 2key s ASP 98 N -0.92 7.40 0.03 -1.22 -1.08 -1.26 -4.99 116.67 114.62 2key s ASP 98 Ca 0.12 2.03 -0.26 0.00 -0.52 0.00 0.00 52.55 53.92 2key s ASP 98 Cb -0.11 -2.61 -0.17 0.00 -1.46 0.00 0.00 42.92 38.58 2key s ASP 98 CO 0.02 -0.03 1.36 1.55 0.52 0.00 0.00 175.17 178.60 2key h PRO 99 N 3.72 -0.36 0.00 4.34 0.13 -1.94 -3.22 132.00 134.68 2key h PRO 99 Ca -0.46 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2key h PRO 99 Cb 1.20 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2key h PRO 99 CO 0.67 -0.07 -0.16 0.27 -0.23 0.00 0.00 178.00 178.47 2key h PHE 100 N -0.63 0.00 -0.76 1.56 -0.00 -1.94 -1.18 116.94 113.99 2key h PHE 100 Ca -0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 57.97 57.87 2key h PHE 100 Cb 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.37 2key h PHE 100 CO 0.01 0.16 0.24 -0.22 -0.00 0.00 0.00 178.31 178.51 2key h LYS 101 N 0.00 1.17 -0.63 6.09 3.11 -1.97 -2.42 116.57 121.92 2key h LYS 101 Ca -0.00 -0.25 0.00 0.00 -2.81 0.00 0.00 60.65 57.59 2key h LYS 101 Cb 0.45 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2key h LYS 101 CO 0.02 0.99 0.00 -3.47 -2.81 0.00 0.00 179.45 174.18 2key n ASP 102 N -4.25 4.81 -4.13 4.20 2.03 -0.55 -4.37 116.55 114.30 2key n ASP 102 Ca 0.06 -2.49 -0.37 0.00 0.52 0.00 0.00 54.79 52.51 2key n ASP 102 Cb 0.23 -0.58 -0.06 0.00 -0.72 0.00 0.00 41.12 39.98 2key n ASP 102 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2key s PHE 103 N -1.92 3.82 0.00 -0.67 5.36 -0.60 -4.60 117.98 119.38 2key s PHE 103 Ca 0.51 -2.91 0.00 0.00 -0.96 0.00 0.00 56.93 53.58 2key s PHE 103 Cb 0.33 -3.30 0.00 0.00 -0.34 0.00 0.00 43.02 39.72 2key s PHE 103 CO 0.24 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.63 2key n GLY 104 N 2.64 0.92 2.81 13.12 0.00 -1.26 -4.90 105.19 118.51 2key n GLY 104 Ca 0.19 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 2key n GLY 104 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2key s LEU 105 N -0.82 -0.37 -0.14 0.99 2.96 -1.26 -5.13 118.68 114.91 2key s LEU 105 Ca 0.00 -0.81 0.02 0.00 -0.22 0.00 0.00 54.13 53.12 2key s LEU 105 Cb 0.00 0.70 0.01 0.00 0.50 0.00 0.00 46.19 47.40 2key s LEU 105 CO 0.00 -0.35 -0.20 -0.70 -1.32 0.00 0.00 176.35 173.78 2key s GLU 106 N 2.24 2.82 -0.30 1.98 -6.30 -1.26 -4.74 118.70 113.13 2key s GLU 106 Ca 0.11 -0.78 0.00 0.00 -2.50 0.00 0.00 54.97 51.80 2key s GLU 106 Cb -0.14 -2.31 0.19 0.00 0.00 0.00 0.00 34.13 31.87 2key s GLU 106 CO -0.27 -0.04 0.59 -1.58 0.02 0.00 0.00 175.26 173.98 2key s HIS 107 N 0.90 -1.63 -0.70 5.30 2.46 -1.26 -5.10 115.29 115.27 2key s HIS 107 Ca -0.06 1.55 0.04 0.00 0.47 0.00 0.00 55.06 57.07 2key s HIS 107 Cb -0.15 0.50 0.17 0.00 -0.13 0.00 0.00 32.58 32.96 2key s HIS 107 CO -0.03 -0.92 0.49 -3.38 -2.47 0.00 0.00 174.74 168.44 2key s HIS 108 N 2.84 3.56 0.00 3.88 -3.43 -1.26 -5.04 115.29 115.85 2key s HIS 108 Ca 0.18 -3.30 0.00 0.00 -0.80 0.00 0.00 55.06 51.14 2key s HIS 108 Cb -0.14 -2.76 0.00 0.00 -1.43 0.00 0.00 32.58 28.25 2key s HIS 108 CO -0.22 -0.58 0.00 0.72 -2.00 0.00 0.00 174.74 172.66 2key n HIS 109 N 2.11 0.00 0.00 0.38 8.25 -1.26 -4.61 115.22 120.10 2key n HIS 109 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2key n HIS 109 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2key n HIS 109 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2key n HIS 110 N 8.11 0.00 -3.63 4.41 1.44 -1.26 -5.05 115.22 119.24 2key n HIS 110 Ca 0.00 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 2key n HIS 110 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 2key n HIS 110 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2key s HIS 111 N -0.32 3.49 0.00 -1.40 5.65 -1.26 -5.30 115.29 116.14 2key s HIS 111 Ca 0.00 -2.24 0.00 0.00 0.25 0.00 0.00 55.06 53.07 2key s HIS 111 Cb 0.00 -3.39 0.00 0.00 -1.18 0.00 0.00 32.58 28.01 2key s HIS 111 CO 0.00 -0.95 0.00 1.58 -0.65 0.00 0.00 174.74 174.72