#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2key h ASN 2 N 0.00 -0.88 -2.93 6.12 2.35 -2.12 -3.40 115.58 114.71 2key h ASN 2 Ca 0.00 0.03 -0.60 0.00 -0.55 0.00 0.00 56.30 55.18 2key h ASN 2 Cb 0.00 0.23 -0.39 0.00 0.05 0.00 0.00 38.32 38.20 2key h ASN 2 CO 0.00 -0.51 -0.81 0.20 -1.65 0.00 0.00 177.43 174.66 2key s ASN 3 N -4.36 3.06 0.41 5.81 0.01 -1.26 -5.12 114.94 113.50 2key s ASN 3 Ca -0.15 -2.66 0.00 0.00 -0.71 0.00 0.00 52.86 49.34 2key s ASN 3 Cb 0.02 -0.75 0.00 0.00 0.41 0.00 0.00 41.25 40.93 2key s ASN 3 CO 0.46 -0.25 0.00 -2.65 -1.51 0.00 0.00 177.10 173.15 2key n PRO 4 N 3.45 0.47 -2.29 -0.60 -0.02 -1.26 -4.90 135.00 129.85 2key n PRO 4 Ca 0.15 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.29 2key n PRO 4 Cb 0.38 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.82 2key n PRO 4 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2key s SER 5 N -1.14 5.77 -0.10 2.55 0.01 -1.26 -4.69 113.70 114.85 2key s SER 5 Ca 0.00 -0.96 0.17 0.00 1.31 0.00 0.00 55.95 56.47 2key s SER 5 Cb 0.00 -2.56 0.64 0.00 0.21 0.00 0.00 66.02 64.30 2key s SER 5 CO 0.00 -2.16 1.55 -0.67 0.41 0.00 0.00 173.24 172.37 2key n ASP 6 N 11.55 4.38 -4.77 2.44 2.03 -1.26 -4.99 116.55 125.93 2key n ASP 6 Ca 0.35 -2.44 -0.37 0.00 0.52 0.00 0.00 54.79 52.85 2key n ASP 6 Cb 0.49 -0.52 -0.01 0.00 -0.72 0.00 0.00 41.12 40.36 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 -1.81 2.91 0.16 -0.67 0.08 -1.26 -4.95 117.98 112.44 2key s PHE 7 Ca 0.46 1.53 -0.15 0.00 0.12 0.00 0.00 56.93 58.89 2key s PHE 7 Cb 0.30 -3.39 0.10 0.00 -0.57 0.00 0.00 43.02 39.45 2key s PHE 7 CO 0.22 -1.50 1.73 0.87 -0.10 0.00 0.00 175.22 176.44 2key h LYS 8 N 2.18 0.23 0.00 0.44 1.57 -1.94 -3.47 116.57 115.57 2key h LYS 8 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2key h LYS 8 Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2key h LYS 8 CO 0.61 0.15 0.00 -1.13 -0.57 0.00 0.00 179.45 178.51 2key n SER 9 N -5.07 0.00 -0.30 0.86 3.41 -1.26 -4.53 113.62 106.72 2key n SER 9 Ca 0.02 -0.92 0.03 0.00 -0.26 0.00 0.00 58.87 57.75 2key n SER 9 Cb 0.17 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.92 1.05 -0.72 7.33 -0.00 -1.88 0.53 116.94 124.17 2key h PHE 10 Ca 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 57.96 2key h PHE 10 Cb 0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 35.95 35.57 2key h PHE 10 CO 0.00 0.57 0.31 1.25 -0.00 0.00 0.00 178.31 180.44 2key h HIS 11 N 1.05 1.04 0.03 6.09 6.17 -1.97 0.34 115.15 127.90 2key h HIS 11 Ca 0.38 -0.06 -0.22 0.00 0.71 0.00 0.00 60.37 61.18 2key h HIS 11 Cb 0.16 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 29.76 2key h HIS 11 CO -0.00 0.78 -0.98 0.22 0.71 0.00 0.00 177.93 178.66 2key h ASP 12 N 1.03 0.34 -0.38 3.26 3.58 -1.75 -2.91 116.42 119.59 2key h ASP 12 Ca 0.24 -0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.27 2key h ASP 12 Cb 0.15 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2key h ASP 12 CO -0.03 1.13 -0.21 0.15 -2.88 0.00 0.00 179.24 177.41 2key h PHE 13 N 0.12 0.99 -0.74 0.28 3.04 -0.39 -2.85 116.94 117.39 2key h PHE 13 Ca -0.07 -0.23 0.09 0.00 3.98 0.00 0.00 57.97 61.75 2key h PHE 13 Cb 1.64 -0.24 -0.07 0.00 2.56 0.00 0.00 35.95 39.84 2key h PHE 13 CO 0.04 1.00 0.39 0.28 -2.02 0.00 0.00 178.31 178.00 2key h VAL 14 N 0.76 0.86 -0.44 1.41 2.07 -0.25 -0.66 116.25 120.00 2key h VAL 14 Ca 0.10 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2key h VAL 14 Cb 0.75 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2key h VAL 14 CO 0.06 0.12 0.29 0.00 0.02 0.00 0.00 177.57 178.06 2key h ALA 15 N 1.44 1.78 -0.18 1.67 0.00 -1.31 0.67 119.26 123.33 2key h ALA 15 Ca 0.36 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2key h ALA 15 Cb 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2key h ALA 15 CO -0.26 0.18 -0.09 1.03 0.00 0.00 0.00 179.25 180.11 2key h SER 16 N 0.51 0.39 0.67 0.00 0.87 -1.04 -2.72 113.55 112.23 2key h SER 16 Ca 0.17 -0.41 -0.23 0.00 -1.23 0.00 0.00 61.79 60.10 2key h SER 16 Cb 0.07 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2key h SER 16 CO -0.04 0.71 -1.02 0.22 -0.53 0.00 0.00 176.83 176.17 2key h TYR 17 N 0.07 0.31 -0.27 2.24 3.20 -0.89 -3.18 116.97 118.45 2key h TYR 17 Ca 0.04 -0.20 0.04 0.00 3.14 0.00 0.00 58.73 61.75 2key h TYR 17 Cb 0.56 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2key h TYR 17 CO 0.06 1.08 0.18 1.98 -1.64 0.00 0.00 178.16 179.83 2key h MET 18 N 0.08 0.17 -1.01 1.82 4.05 0.33 -0.18 114.93 120.20 2key h MET 18 Ca -0.07 -0.01 0.25 0.00 -0.28 0.00 0.00 59.70 59.59 2key h MET 18 Cb 1.71 -0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 32.39 2key h MET 18 CO 0.16 0.11 0.66 -0.22 0.23 0.00 0.00 176.91 177.84 2key h LYS 19 N 0.17 0.38 0.53 0.39 3.11 -1.46 -1.19 116.57 118.51 2key h LYS 19 Ca 0.12 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.91 2key h LYS 19 Cb 0.25 -0.09 0.01 0.00 -1.00 0.00 0.00 32.23 31.40 2key h LYS 19 CO -0.02 0.25 -0.25 1.15 -2.81 0.00 0.00 179.45 177.77 2key h THR 20 N 0.39 0.29 0.00 1.00 2.02 -1.20 -3.24 112.91 112.17 2key h THR 20 Ca 0.55 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 2key h THR 20 Cb 1.42 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2key h THR 20 CO -0.25 0.05 -0.21 0.10 0.37 0.00 0.00 175.52 175.57 2key h TYR 21 N -1.04 0.00 0.00 3.16 -0.00 -1.62 -2.81 116.97 114.66 2key h TYR 21 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.66 2key h TYR 21 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.35 2key h TYR 21 CO 0.01 0.21 0.00 0.43 -0.00 0.00 0.00 178.16 178.81 2key n SER 22 N -3.20 0.06 -0.19 0.10 7.64 -0.47 -2.46 113.62 115.10 2key n SER 22 Ca 0.02 0.52 0.13 0.00 1.01 0.00 0.00 58.87 60.55 2key n SER 22 Cb 0.55 -0.53 0.46 0.00 -1.01 0.00 0.00 64.21 63.68 2key n SER 22 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2key h ARG 23 N 0.00 0.50 -0.18 1.43 2.43 -1.52 -1.71 114.38 115.33 2key h ARG 23 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2key h ARG 23 Cb 0.21 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2key h ARG 23 CO 0.00 0.33 0.00 0.54 -1.51 0.00 0.00 179.97 179.33 2key n ARG 24 N -4.50 2.47 -3.60 0.20 1.74 -1.03 -4.97 116.66 106.96 2key n ARG 24 Ca 0.14 -2.60 -0.36 0.00 -0.77 0.00 0.00 57.85 54.26 2key n ARG 24 Cb 0.47 -1.63 -0.07 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 -2.53 4.26 0.60 0.55 2.96 -0.64 -5.06 118.68 118.82 2key s LEU 25 Ca 0.35 0.48 -0.20 0.00 -0.22 0.00 0.00 54.13 54.53 2key s LEU 25 Cb 0.28 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2key s LEU 25 CO 0.07 0.15 1.33 -1.84 -1.32 0.00 0.00 176.35 174.75 2key n GLU 26 N 3.33 1.41 0.10 1.98 0.28 -1.26 -4.83 120.64 121.65 2key n GLU 26 Ca -0.13 0.53 0.03 0.00 -0.16 0.00 0.00 57.16 57.43 2key n GLU 26 Cb 0.52 -2.56 0.43 0.00 1.43 0.00 0.00 31.44 31.26 2key n GLU 26 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2key h ILE 27 N 0.99 1.13 0.55 3.84 1.08 -1.97 -1.56 117.51 121.57 2key h ILE 27 Ca -0.51 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 63.45 2key h ILE 27 Cb 1.32 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.02 2key h ILE 27 CO 0.55 0.17 -0.41 1.23 -0.69 0.00 0.00 178.15 178.99 2key h GLY 28 N 0.58 -1.06 1.61 5.37 0.00 -1.99 -0.52 103.07 107.05 2key h GLY 28 Ca 0.07 0.47 -0.21 0.00 0.00 0.00 0.00 47.33 47.66 2key h GLY 28 CO 0.00 -0.36 -0.89 0.00 0.00 0.00 0.00 176.54 175.29 2key h THR 29 N -0.94 1.42 -0.38 4.70 1.03 -1.92 -0.11 112.91 116.71 2key h THR 29 Ca -0.06 -2.43 0.07 0.00 -0.01 0.00 0.00 66.41 63.97 2key h THR 29 Cb 0.79 2.38 -0.06 0.00 -1.07 0.00 0.00 68.15 70.19 2key h THR 29 CO 0.01 0.72 0.01 0.15 -0.01 0.00 0.00 175.52 176.40 2key h PHE 30 N 0.21 -0.01 -0.00 0.00 3.57 -1.25 -1.99 116.94 117.47 2key h PHE 30 Ca -0.06 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.30 2key h PHE 30 Cb 1.51 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.29 2key h PHE 30 CO 0.05 -0.07 -0.76 -0.09 -2.23 0.00 0.00 178.31 175.21 2key h ARG 31 N 0.11 0.01 0.00 1.11 2.43 -1.04 -3.20 114.38 113.80 2key h ARG 31 Ca 0.19 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2key h ARG 31 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2key h ARG 31 CO -0.31 0.76 0.00 1.58 -1.51 0.00 0.00 179.97 180.50 2key n HIS 32 N -3.64 0.41 0.09 2.20 -0.00 -0.06 -1.38 115.22 112.84 2key n HIS 32 Ca -0.01 0.18 0.04 0.00 0.46 0.00 0.00 57.72 58.38 2key n HIS 32 Cb 0.74 -0.78 0.07 0.00 -0.12 0.00 0.00 29.99 29.89 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 -1.89 0.16 0.15 1.57 1.44 -0.98 -4.66 115.22 111.00 2key n HIS 33 Ca 0.02 -0.26 -0.13 0.00 -2.01 0.00 0.00 57.72 55.35 2key n HIS 33 Cb 0.15 -0.02 -0.08 0.00 0.12 0.00 0.00 29.99 30.17 2key n HIS 33 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2key h LYS 34 N 1.39 -0.40 0.00 -1.40 1.79 -1.29 -1.82 116.57 114.84 2key h LYS 34 Ca 0.00 0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 2key h LYS 34 Cb 0.48 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2key h LYS 34 CO 0.00 -0.07 -0.21 0.77 -1.08 0.00 0.00 179.45 178.87 2key h SER 35 N -0.83 0.00 -0.11 0.86 0.02 -1.85 -2.55 113.55 109.10 2key h SER 35 Ca -0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2key h SER 35 Cb 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2key h SER 35 CO 0.07 0.21 -0.02 0.00 -1.14 0.00 0.00 176.83 175.95 2key h MET 37 N -0.10 0.00 -0.09 0.00 2.07 -1.01 -3.18 114.93 112.61 2key h MET 37 Ca 0.03 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.52 2key h MET 37 Cb 0.41 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.15 2key h MET 37 CO 0.01 0.09 -0.47 -0.09 1.07 0.00 0.00 176.91 177.53 2key h ARG 38 N 0.00 0.48 0.00 1.72 9.65 -1.27 -3.28 114.38 121.67 2key h ARG 38 Ca -0.00 -0.39 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 2key h ARG 38 Cb 0.21 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2key h ARG 38 CO 0.01 1.02 0.00 0.36 2.80 0.00 0.00 179.97 184.17 2key n LYS 39 N -4.27 0.02 0.11 0.20 -0.00 -1.17 -0.93 118.16 112.12 2key n LYS 39 Ca -0.08 0.32 0.05 0.00 -0.00 0.00 0.00 58.31 58.59 2key n LYS 39 Cb 0.58 -1.50 0.47 0.00 -0.00 0.00 0.00 35.03 34.59 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 0.29 -5.13 5.58 3.57 -1.75 -3.48 116.94 116.02 2key h PHE 40 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2key h PHE 40 Cb 0.02 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2key h PHE 40 CO 0.00 0.25 -0.88 1.17 -2.23 0.00 0.00 178.31 176.62 2key n LYS 41 N -4.43 -3.24 -4.69 1.11 4.81 -0.11 -5.07 118.16 106.55 2key n LYS 41 Ca 0.00 2.63 -0.28 0.00 -0.87 0.00 0.00 58.31 59.79 2key n LYS 41 Cb 0.13 -5.40 -0.14 0.00 0.02 0.00 0.00 35.03 29.64 2key n LYS 41 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2key s GLU 42 N -1.82 1.56 0.00 1.64 4.04 -1.26 -4.99 118.70 117.88 2key s GLU 42 Ca 0.05 -1.11 0.00 0.00 0.04 0.00 0.00 54.97 53.95 2key s GLU 42 Cb -0.01 -1.79 0.00 0.00 0.02 0.00 0.00 34.13 32.35 2key s GLU 42 CO 0.77 0.45 0.00 2.48 -1.84 0.00 0.00 175.26 177.12 2key n TYR 43 N 1.58 0.00 -4.61 4.83 4.11 -1.26 -5.07 117.16 116.75 2key n TYR 43 Ca -0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.48 2key n TYR 43 Cb 0.53 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.70 2key n TYR 43 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2key n GLU 45 N 3.80 0.00 0.00 0.00 1.02 -1.26 -5.03 120.64 119.17 2key n GLU 45 Ca -0.23 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 2key n GLU 45 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 2key n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2key n GLY 46 N 0.00 1.26 2.98 0.62 0.00 -1.26 -4.51 105.19 104.27 2key n GLY 46 Ca 0.00 0.33 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 2.02 0.78 0.99 2.96 -1.26 -5.05 118.68 119.13 2key s LEU 47 Ca 0.00 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.70 2key s LEU 47 Cb 0.00 -0.31 0.12 0.00 0.50 0.00 0.00 46.19 46.50 2key s LEU 47 CO 0.00 0.06 1.10 -1.10 -1.32 0.00 0.00 176.35 175.09 2key s GLN 48 N -0.22 1.61 -0.03 1.98 1.11 -1.26 -4.83 119.66 118.02 2key s GLN 48 Ca 0.02 -0.53 -0.24 0.00 0.01 0.00 0.00 55.36 54.62 2key s GLN 48 Cb -0.03 -2.12 -0.18 0.00 -1.01 0.00 0.00 33.01 29.67 2key s GLN 48 CO -0.00 -1.63 1.07 0.74 0.01 0.00 0.00 175.29 175.47 2key h PHE 49 N -0.88 -0.16 0.00 0.91 0.04 -2.01 -3.14 116.94 111.70 2key h PHE 49 Ca -0.42 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.34 2key h PHE 49 Cb 1.28 0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.48 2key h PHE 49 CO -0.23 0.30 0.00 -2.39 -0.60 0.00 0.00 178.31 175.39 2key n HIS 50 N -4.92 0.00 0.85 -0.55 1.44 -1.26 -1.96 115.22 108.82 2key n HIS 50 Ca -0.08 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.74 2key n HIS 50 Cb 0.27 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.48 2key n HIS 50 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2key n GLU 51 N -0.59 0.10 -3.23 -1.40 -0.58 -1.19 -4.76 120.64 108.99 2key n GLU 51 Ca 0.04 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.33 2key n GLU 51 Cb 0.02 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 29.30 2key n GLU 51 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2key s LEU 52 N -3.33 5.74 0.44 -4.62 1.98 -0.83 -4.85 118.68 113.20 2key s LEU 52 Ca 0.08 -1.54 0.03 0.00 -2.89 0.00 0.00 54.13 49.81 2key s LEU 52 Cb 0.16 -2.26 -0.02 0.00 0.66 0.00 0.00 46.19 44.73 2key s LEU 52 CO 0.76 -0.94 0.10 0.42 -1.89 0.00 0.00 176.35 174.80 2key s THR 53 N 2.10 0.76 0.37 3.68 -4.23 -1.26 -4.83 115.64 112.22 2key s THR 53 Ca 0.07 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 2key s THR 53 Cb -0.26 -2.30 0.27 0.00 1.34 0.00 0.00 72.50 71.54 2key s THR 53 CO 0.05 0.00 2.02 -0.33 -0.54 0.00 0.00 174.62 175.82 2key h GLU 54 N 1.67 0.75 -0.76 3.99 3.07 -1.92 -2.33 114.58 119.05 2key h GLU 54 Ca -0.38 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.43 2key h GLU 54 Cb 1.28 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.99 2key h GLU 54 CO 0.61 0.50 0.45 0.22 -1.40 0.00 0.00 179.01 179.39 2key h ASP 55 N 0.78 0.92 -0.13 1.42 3.58 -1.96 0.59 116.42 121.63 2key h ASP 55 Ca 0.22 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 2key h ASP 55 Cb -0.07 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 2key h ASP 55 CO -0.05 0.72 0.07 0.15 -2.88 0.00 0.00 179.24 177.26 2key h PHE 56 N 1.04 0.17 -0.49 0.28 3.57 -1.76 0.19 116.94 119.94 2key h PHE 56 Ca 0.27 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.78 2key h PHE 56 Cb -0.02 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2key h PHE 56 CO -0.01 0.18 0.31 -0.07 -2.23 0.00 0.00 178.31 176.50 2key h LEU 57 N 0.11 0.52 -0.26 0.59 -0.00 -1.13 0.70 115.31 115.84 2key h LEU 57 Ca 0.04 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.85 2key h LEU 57 Cb 0.07 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2key h LEU 57 CO -0.01 0.38 -0.09 -0.09 -0.00 0.00 0.00 178.44 178.62 2key h ARG 58 N 0.63 0.52 -0.56 1.13 2.43 -0.71 -0.55 114.38 117.28 2key h ARG 58 Ca 0.19 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2key h ARG 58 Cb -0.03 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 2key h ARG 58 CO -0.06 0.76 0.26 0.22 -1.51 0.00 0.00 179.97 179.64 2key h ASP 59 N 0.26 0.74 0.11 -3.80 1.82 -0.47 -1.70 116.42 113.38 2key h ASP 59 Ca 0.06 -0.14 -0.09 0.00 -0.39 0.00 0.00 57.03 56.47 2key h ASP 59 Cb 0.59 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 2key h ASP 59 CO 0.03 0.67 -0.32 0.22 -1.61 0.00 0.00 179.24 178.24 2key h TYR 60 N 0.76 0.36 -0.25 0.28 5.03 -0.80 -0.33 116.97 122.02 2key h TYR 60 Ca 0.19 -0.08 0.02 0.00 2.58 0.00 0.00 58.73 61.44 2key h TYR 60 Cb 0.13 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 2key h TYR 60 CO -0.00 0.60 0.12 1.25 -1.32 0.00 0.00 178.16 178.81 2key h LEU 61 N 0.28 0.18 -0.60 2.82 5.85 -0.65 0.20 115.31 123.39 2key h LEU 61 Ca 0.04 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2key h LEU 61 Cb 0.70 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2key h LEU 61 CO 0.05 0.14 0.39 0.40 -0.34 0.00 0.00 178.44 179.08 2key h ILE 62 N 0.26 1.13 -0.73 4.05 2.04 -0.79 0.89 117.51 124.36 2key h ILE 62 Ca 0.10 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.77 2key h ILE 62 Cb 0.03 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.31 2key h ILE 62 CO -0.07 0.14 0.40 0.22 0.00 0.00 0.00 178.15 178.84 2key h TYR 63 N 0.79 0.72 -0.26 1.37 3.20 -0.56 0.48 116.97 122.71 2key h TYR 63 Ca 0.23 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 2key h TYR 63 Cb -0.06 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2key h TYR 63 CO -0.04 0.31 -0.01 1.98 -1.64 0.00 0.00 178.16 178.76 2key h MET 64 N 0.70 0.47 -0.05 1.82 4.05 0.09 -0.25 114.93 121.77 2key h MET 64 Ca 0.34 -0.15 -0.03 0.00 -0.28 0.00 0.00 59.70 59.57 2key h MET 64 Cb 0.28 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2key h MET 64 CO -0.22 0.64 -0.10 -0.22 0.23 0.00 0.00 176.91 177.23 2key h LYS 65 N 0.24 0.15 0.00 0.39 3.11 -0.46 0.68 116.57 120.69 2key h LYS 65 Ca 0.07 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2key h LYS 65 Cb 0.44 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 2key h LYS 65 CO 0.02 0.69 -0.12 -0.22 -2.81 0.00 0.00 179.45 177.01 2key h LYS 66 N -0.36 0.00 -0.18 1.90 3.11 -0.12 -2.60 116.57 118.32 2key h LYS 66 Ca 0.00 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.69 2key h LYS 66 Cb 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 2key h LYS 66 CO 0.02 0.00 -0.46 1.15 -2.81 0.00 0.00 179.45 177.35 2key h THR 67 N -0.82 1.33 0.00 1.00 2.02 -1.21 -3.14 112.91 112.09 2key h THR 67 Ca 0.00 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.48 2key h THR 67 Cb 0.12 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2key h THR 67 CO 0.00 0.53 -0.58 -0.07 0.37 0.00 0.00 175.52 175.77 2key h LEU 68 N 0.30 0.00 0.73 2.58 3.38 -1.12 -3.48 115.31 117.71 2key h LEU 68 Ca -0.01 -0.03 -0.31 0.00 0.09 0.00 0.00 57.88 57.62 2key h LEU 68 Cb 1.07 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.87 2key h LEU 68 CO 0.10 0.01 -0.46 0.00 0.09 0.00 0.00 178.44 178.18 2key s ASN 70 N -2.75 6.44 0.84 0.00 0.02 0.15 -4.97 114.94 114.67 2key s ASN 70 Ca 0.22 0.47 -0.12 0.00 -1.02 0.00 0.00 52.86 52.40 2key s ASN 70 Cb -0.10 -2.04 0.11 0.00 0.02 0.00 0.00 41.25 39.25 2key s ASN 70 CO 0.27 0.10 1.20 0.00 0.02 0.00 0.00 177.10 178.69 2key s ALA 71 N -1.60 2.61 0.16 0.60 0.00 -1.26 -3.83 121.76 118.44 2key s ALA 71 Ca 0.38 -0.86 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 2key s ALA 71 Cb -0.12 -2.85 0.08 0.00 0.00 0.00 0.00 23.12 20.22 2key s ALA 71 CO 0.26 -1.85 1.74 -0.44 0.00 0.00 0.00 175.76 175.46 2key h ASP 72 N -1.17 0.05 -0.40 0.00 5.19 -1.98 -0.46 116.42 117.65 2key h ASP 72 Ca -0.45 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.05 2key h ASP 72 Cb 1.30 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.83 2key h ASP 72 CO 0.57 0.07 0.17 0.28 -3.12 0.00 0.00 179.24 177.21 2key h SER 73 N 0.22 0.22 -0.56 6.45 0.02 -2.00 -0.27 113.55 117.63 2key h SER 73 Ca 0.17 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 2key h SER 73 Cb 0.18 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2key h SER 73 CO -0.21 0.17 0.14 0.74 -1.14 0.00 0.00 176.83 176.53 2key h THR 74 N 0.36 1.25 -0.19 -2.27 2.02 -1.83 -2.85 112.91 109.40 2key h THR 74 Ca 0.18 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 2key h THR 74 Cb 0.12 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2key h THR 74 CO -0.15 0.32 0.09 0.00 0.37 0.00 0.00 175.52 176.15 2key h ALA 75 N 1.02 0.24 -0.21 6.16 0.00 -0.45 -2.22 119.26 123.80 2key h ALA 75 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2key h ALA 75 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2key h ALA 75 CO 0.00 -0.20 0.09 1.96 0.00 0.00 0.00 179.25 181.10 2key h GLN 76 N 0.17 0.31 0.00 0.00 1.08 -1.04 0.19 115.11 115.82 2key h GLN 76 Ca 0.06 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 2key h GLN 76 Cb 0.12 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2key h GLN 76 CO -0.01 0.35 -0.19 0.07 -0.95 0.00 0.00 178.83 178.09 2key h ARG 77 N 0.20 0.00 -0.13 1.46 -0.00 -1.49 0.16 114.38 114.59 2key h ARG 77 Ca 0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.84 2key h ARG 77 Cb 0.14 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.13 2key h ARG 77 CO -0.01 0.19 -0.76 -0.91 -0.00 0.00 0.00 179.97 178.48 2key h ASN 78 N 0.00 0.90 0.45 0.08 2.35 -0.93 -3.21 115.58 115.22 2key h ASN 78 Ca -0.00 -0.64 -0.08 0.00 -0.55 0.00 0.00 56.30 55.03 2key h ASN 78 Cb 0.56 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2key h ASN 78 CO 0.03 1.40 -0.36 -0.07 -1.65 0.00 0.00 177.43 176.77 2key h LEU 79 N 0.46 0.00 -2.09 1.61 3.38 -0.06 -2.75 115.31 115.86 2key h LEU 79 Ca -0.06 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.99 2key h LEU 79 Cb 1.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 2key h LEU 79 CO 0.16 0.36 0.33 0.28 0.09 0.00 0.00 178.44 179.66 2key h SER 80 N 0.00 0.00 0.33 -0.43 0.02 -0.71 -0.15 113.55 112.62 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 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2key h SER 80 CO 0.05 0.00 -0.16 0.71 -1.14 0.00 0.00 176.83 176.29 2key h THR 81 N 0.00 0.68 -0.10 -2.27 1.35 -1.62 0.65 112.91 111.61 2key h THR 81 Ca 0.13 -0.05 -0.13 0.00 -0.55 0.00 0.00 66.41 65.82 2key h THR 81 Cb 0.79 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 2key h THR 81 CO -0.00 0.01 -0.50 0.40 -0.25 0.00 0.00 175.52 175.18 2key h ILE 82 N -0.47 1.34 -0.20 6.82 2.04 -1.59 -3.08 117.51 122.37 2key h ILE 82 Ca -0.05 -1.74 0.05 0.00 1.00 0.00 0.00 64.86 64.13 2key h ILE 82 Cb 0.36 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 2key h ILE 82 CO 0.07 0.52 -0.15 0.11 0.00 0.00 0.00 178.15 178.70 2key h LYS 83 N 0.21 -0.15 -0.37 2.37 1.79 -0.65 0.29 116.57 120.07 2key h LYS 83 Ca 0.01 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 2key h LYS 83 Cb 0.96 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.63 2key h LYS 83 CO 0.08 -0.10 0.08 0.82 -1.08 0.00 0.00 179.45 179.25 2key h ILE 84 N -0.15 1.18 0.19 1.86 2.04 -0.84 0.36 117.51 122.15 2key h ILE 84 Ca 0.12 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2key h ILE 84 Cb 0.33 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2key h ILE 84 CO -0.30 0.23 -0.09 0.22 0.00 0.00 0.00 178.15 178.21 2key h TYR 85 N 0.54 -0.24 -0.34 1.37 3.20 -1.29 -2.34 116.97 117.88 2key h TYR 85 Ca 0.12 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 2key h TYR 85 Cb 0.23 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2key h TYR 85 CO 0.01 0.16 0.10 0.28 -1.64 0.00 0.00 178.16 177.07 2key h VAL 86 N -0.77 1.21 -0.77 1.81 2.07 -0.27 -1.72 116.25 117.81 2key h VAL 86 Ca -0.03 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 66.87 2key h VAL 86 Cb 0.51 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2key h VAL 86 CO 0.04 0.23 0.50 0.28 0.02 0.00 0.00 177.57 178.65 2key h SER 87 N 0.39 0.73 0.32 0.57 0.02 -0.37 0.27 113.55 115.48 2key h SER 87 Ca 0.11 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.92 2key h SER 87 Cb 0.26 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2key h SER 87 CO -0.00 0.47 -0.56 0.00 -1.14 0.00 0.00 176.83 175.60 2key h ALA 88 N 1.58 0.89 0.00 3.77 0.00 -1.09 -2.86 119.26 121.55 2key h ALA 88 Ca 0.33 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2key h ALA 88 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2key h ALA 88 CO -0.11 0.70 -0.24 0.00 0.00 0.00 0.00 179.25 179.60 2key h ALA 89 N 1.22 0.91 -0.01 0.00 0.00 -0.08 -3.08 119.26 118.22 2key h ALA 89 Ca -0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 2key h ALA 89 Cb 1.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2key h ALA 89 CO 0.09 0.30 -0.77 0.82 0.00 0.00 0.00 179.25 179.69 2key h ILE 90 N 0.00 1.49 -0.01 0.00 2.04 -0.34 0.12 117.51 120.81 2key h ILE 90 Ca -0.00 -2.47 -0.12 0.00 1.00 0.00 0.00 64.86 63.26 2key h ILE 90 Cb 0.98 2.34 0.01 0.00 -0.74 0.00 0.00 36.82 39.41 2key h ILE 90 CO 0.03 0.72 -0.47 0.11 0.00 0.00 0.00 178.15 178.54 2key h LYS 91 N 0.08 0.34 -0.15 2.37 1.79 -1.43 -3.41 116.57 116.16 2key h LYS 91 Ca -0.02 -0.35 -0.17 0.00 -2.18 0.00 0.00 60.65 57.92 2key h LYS 91 Cb 1.36 0.10 -0.14 0.00 -1.58 0.00 0.00 32.23 31.96 2key h LYS 91 CO 0.11 1.03 -0.40 1.17 -1.08 0.00 0.00 179.45 180.29 2key n LYS 92 N -4.32 0.60 0.07 3.15 4.81 -1.20 -5.03 118.16 116.24 2key n LYS 92 Ca -0.10 -1.55 0.00 0.00 -0.87 0.00 0.00 58.31 55.79 2key n LYS 92 Cb 0.60 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.47 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 1.85 -0.26 0.00 3.14 0.00 -0.15 -4.86 105.19 104.90 2key n GLY 93 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.98 0.00 -2.21 1.61 9.36 -0.17 -5.04 117.16 117.73 2key n TYR 94 Ca 0.00 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.87 2key n TYR 94 Cb 0.00 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.72 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 -0.89 3.31 0.00 2.98 -1.94 -0.89 -4.95 119.30 116.91 2key s MET 95 Ca 0.00 1.66 0.00 0.00 -1.71 0.00 0.00 55.69 55.64 2key s MET 95 Cb 0.00 -2.01 0.00 0.00 2.01 0.00 0.00 34.83 34.83 2key s MET 95 CO 0.00 -0.90 0.00 -1.91 -0.01 0.00 0.00 175.02 172.20 2key n GLU 96 N -1.31 0.00 -3.51 2.03 2.13 -1.26 -3.98 120.64 114.74 2key n GLU 96 Ca 0.12 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.56 2key n GLU 96 Cb 0.50 -0.39 -0.10 0.00 0.27 0.00 0.00 31.44 31.72 2key n GLU 96 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2key s ASN 97 N -4.65 6.14 0.46 4.31 0.02 -1.26 -5.00 114.94 114.97 2key s ASN 97 Ca 0.00 0.14 -0.20 0.00 -1.02 0.00 0.00 52.86 51.78 2key s ASN 97 Cb 0.00 -2.16 -0.10 0.00 0.02 0.00 0.00 41.25 39.02 2key s ASN 97 CO 0.00 -0.09 1.00 1.51 0.02 0.00 0.00 177.10 179.54 2key s ASP 98 N 1.60 6.62 0.00 -1.22 -4.77 -1.26 -4.96 116.67 112.68 2key s ASP 98 Ca 0.11 1.81 0.29 0.00 -3.30 0.00 0.00 52.55 51.45 2key s ASP 98 Cb -0.16 -2.55 1.24 0.00 -1.09 0.00 0.00 42.92 40.37 2key s ASP 98 CO 0.10 -0.59 1.86 -0.81 0.70 0.00 0.00 175.17 176.43 2key n PRO 99 N -0.85 0.88 -0.04 2.11 -0.04 -1.26 -4.02 135.00 131.78 2key n PRO 99 Ca 0.08 -0.34 -0.05 0.00 -0.04 0.00 0.00 63.50 63.16 2key n PRO 99 Cb 0.53 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 2key n PRO 99 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2key n PHE 100 N -0.77 0.51 -0.12 0.54 1.16 -1.26 -3.44 117.46 114.08 2key n PHE 100 Ca 0.16 0.18 -0.04 0.00 -1.87 0.00 0.00 57.45 55.87 2key n PHE 100 Cb 0.27 -1.02 0.03 0.00 -1.61 0.00 0.00 39.48 37.15 2key n PHE 100 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 2key h LYS 101 N 0.00 0.10 -0.01 3.97 1.79 -1.93 -2.35 116.57 118.14 2key h LYS 101 Ca -0.33 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2key h LYS 101 Cb 1.89 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.52 2key h LYS 101 CO 0.04 0.06 -0.15 -0.25 -1.08 0.00 0.00 179.45 178.08 2key n ASP 102 N -5.20 1.04 -0.10 0.86 9.92 -1.26 -1.85 116.55 119.96 2key n ASP 102 Ca 0.03 -1.02 -0.13 0.00 -0.53 0.00 0.00 54.79 53.14 2key n ASP 102 Cb 0.21 0.06 -0.01 0.00 -0.64 0.00 0.00 41.12 40.74 2key n ASP 102 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2key h PHE 103 N 1.40 1.08 0.00 1.24 3.57 -1.44 -3.40 116.94 119.39 2key h PHE 103 Ca 0.00 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2key h PHE 103 Cb 0.46 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2key h PHE 103 CO 0.00 1.15 -0.16 0.41 -2.23 0.00 0.00 178.31 177.48 2key n GLY 104 N 0.17 0.36 2.91 2.40 0.00 -1.24 -5.06 105.19 104.72 2key n GLY 104 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 2.18 0.29 0.99 1.98 -0.77 -5.11 118.68 118.24 2key s LEU 105 Ca 0.00 -1.02 -0.29 0.00 -2.89 0.00 0.00 54.13 49.93 2key s LEU 105 Cb 0.00 -1.05 -0.10 0.00 0.66 0.00 0.00 46.19 45.70 2key s LEU 105 CO 0.00 -0.23 1.29 -0.70 -1.89 0.00 0.00 176.35 174.82 2key s GLU 106 N 1.50 4.40 -0.20 1.98 2.12 -1.26 -4.34 118.70 122.89 2key s GLU 106 Ca -0.04 2.13 -0.13 0.00 0.36 0.00 0.00 54.97 57.30 2key s GLU 106 Cb -0.18 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 2key s GLU 106 CO -0.07 -0.17 0.24 -1.01 -0.54 0.00 0.00 175.26 173.72 2key s HIS 107 N -0.76 3.39 0.19 5.30 3.76 -1.26 -4.99 115.29 120.92 2key s HIS 107 Ca 0.51 0.44 0.01 0.00 -0.15 0.00 0.00 55.06 55.87 2key s HIS 107 Cb -0.38 -2.32 0.10 0.00 1.11 0.00 0.00 32.58 31.08 2key s HIS 107 CO 0.47 0.14 1.46 0.45 -0.85 0.00 0.00 174.74 176.41 2key h HIS 108 N 7.07 0.43 -2.69 1.40 -0.00 -2.04 -3.41 115.15 115.91 2key h HIS 108 Ca -0.39 -0.19 -0.45 0.00 -0.00 0.00 0.00 60.37 59.34 2key h HIS 108 Cb 1.16 -0.07 -0.38 0.00 -0.00 0.00 0.00 27.41 28.12 2key h HIS 108 CO 0.63 0.93 -0.73 -1.01 -0.00 0.00 0.00 177.93 177.76 2key s HIS 109 N -3.58 0.06 -0.75 2.45 3.76 -1.26 -5.09 115.29 110.88 2key s HIS 109 Ca -0.05 -0.48 -0.24 0.00 -0.15 0.00 0.00 55.06 54.15 2key s HIS 109 Cb 0.11 -0.70 0.06 0.00 1.11 0.00 0.00 32.58 33.16 2key s HIS 109 CO 0.83 -0.75 1.13 -3.38 -0.85 0.00 0.00 174.74 171.72 2key s HIS 110 N 2.19 2.59 -0.30 1.40 -3.43 -1.26 -4.89 115.29 111.59 2key s HIS 110 Ca 0.07 -0.52 -0.17 0.00 -0.80 0.00 0.00 55.06 53.64 2key s HIS 110 Cb -0.16 -4.44 0.20 0.00 -1.43 0.00 0.00 32.58 26.75 2key s HIS 110 CO -0.27 -1.79 1.23 -1.58 -2.00 0.00 0.00 174.74 170.33 2key s HIS 111 N 4.52 -0.16 0.00 0.38 5.04 -1.26 -5.23 115.29 118.58 2key s HIS 111 Ca 0.30 0.33 0.00 0.00 -1.54 0.00 0.00 55.06 54.15 2key s HIS 111 Cb -0.11 0.15 0.00 0.00 0.04 0.00 0.00 32.58 32.66 2key s HIS 111 CO 0.07 -0.08 0.44 -2.39 -2.34 0.00 0.00 174.74 170.45