#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 1.47 -3.50 7.83 3.02 -1.26 -4.92 115.26 117.91 2key n ASN 2 Ca 0.00 0.25 -0.28 0.00 -0.03 0.00 0.00 54.58 54.52 2key n ASN 2 Cb 0.00 -0.66 -0.11 0.00 -0.61 0.00 0.00 39.78 38.40 2key n ASN 2 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2key s ASN 3 N -5.52 2.54 0.00 6.41 -0.87 -1.26 -4.65 114.94 111.60 2key s ASN 3 Ca -0.21 -2.71 0.28 0.00 -1.57 0.00 0.00 52.86 48.65 2key s ASN 3 Cb 0.03 -0.58 1.46 0.00 -0.02 0.00 0.00 41.25 42.14 2key s ASN 3 CO 0.31 -0.23 1.98 -0.81 -2.57 0.00 0.00 177.10 175.78 2key n PRO 4 N 3.35 0.47 -2.07 -0.60 -0.04 -1.26 -4.89 135.00 129.96 2key n PRO 4 Ca 0.19 0.02 -0.19 0.00 -0.04 0.00 0.00 63.50 63.48 2key n PRO 4 Cb 0.41 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 2key n PRO 4 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2key n SER 5 N -1.25 -5.37 -0.76 3.54 7.64 -1.26 -4.85 113.62 111.32 2key n SER 5 Ca 0.14 0.15 0.11 0.00 1.01 0.00 0.00 58.87 60.29 2key n SER 5 Cb 0.21 -4.46 0.31 0.00 -1.01 0.00 0.00 64.21 59.26 2key n SER 5 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2key n ASP 6 N -1.39 2.28 -4.37 6.43 2.03 -1.26 -4.79 116.55 115.47 2key n ASP 6 Ca -0.21 -1.81 -0.42 0.00 0.52 0.00 0.00 54.79 52.87 2key n ASP 6 Cb 0.65 -0.14 -0.10 0.00 -0.72 0.00 0.00 41.12 40.81 2key n ASP 6 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2key s PHE 7 N -1.72 3.26 -1.00 -0.67 -0.71 -1.26 -4.85 117.98 111.04 2key s PHE 7 Ca 0.34 -1.00 0.19 0.00 -1.04 0.00 0.00 56.93 55.42 2key s PHE 7 Cb 0.19 -2.73 -0.18 0.00 -1.21 0.00 0.00 43.02 39.09 2key s PHE 7 CO 0.28 -0.71 0.82 0.36 -1.34 0.00 0.00 175.22 174.63 2key n LYS 8 N 5.06 0.87 -3.78 1.99 2.85 -1.26 -4.67 118.16 119.22 2key n LYS 8 Ca -0.11 -0.11 -0.37 0.00 -1.05 0.00 0.00 58.31 56.66 2key n LYS 8 Cb 0.45 -1.39 -0.06 0.00 -0.65 0.00 0.00 35.03 33.38 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 -2.71 6.49 0.21 -5.58 0.01 -1.26 -0.06 113.70 110.80 2key s SER 9 Ca 0.08 0.59 -0.10 0.00 1.31 0.00 0.00 55.95 57.83 2key s SER 9 Cb 0.14 -2.12 0.18 0.00 0.21 0.00 0.00 66.02 64.43 2key s SER 9 CO 0.74 0.38 1.88 2.19 0.41 0.00 0.00 173.24 178.84 2key h PHE 10 N 4.97 0.96 0.00 2.43 -0.00 -1.91 0.25 116.94 123.64 2key h PHE 10 Ca -0.54 0.02 -0.05 0.00 -0.00 0.00 0.00 57.97 57.40 2key h PHE 10 Cb 1.23 -0.32 -0.01 0.00 -0.00 0.00 0.00 35.95 36.85 2key h PHE 10 CO 0.74 0.59 -0.24 1.12 -0.00 0.00 0.00 178.31 180.52 2key h HIS 11 N 1.02 0.00 0.11 6.09 2.07 -1.86 -0.95 115.15 121.63 2key h HIS 11 Ca 0.29 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.64 2key h HIS 11 Cb -0.09 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.90 2key h HIS 11 CO -0.02 0.24 -0.76 0.22 -3.07 0.00 0.00 177.93 174.54 2key h ASP 12 N 0.00 0.38 -0.05 3.10 1.82 -1.66 -3.01 116.42 116.99 2key h ASP 12 Ca -0.00 -0.94 0.03 0.00 -0.39 0.00 0.00 57.03 55.72 2key h ASP 12 Cb 0.48 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 2key h ASP 12 CO 0.03 1.36 -0.11 0.15 -1.61 0.00 0.00 179.24 179.06 2key h PHE 13 N -0.48 -0.28 -0.18 0.28 3.04 -0.28 -1.70 116.94 117.35 2key h PHE 13 Ca -0.14 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.85 2key h PHE 13 Cb 1.55 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 40.16 2key h PHE 13 CO 0.20 -0.17 -0.00 0.28 -2.02 0.00 0.00 178.31 176.60 2key h VAL 14 N -0.16 0.87 -0.21 1.41 2.07 -1.32 0.15 116.25 119.06 2key h VAL 14 Ca 0.06 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2key h VAL 14 Cb 0.24 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2key h VAL 14 CO -0.15 0.01 0.15 0.00 0.02 0.00 0.00 177.57 177.60 2key h ALA 15 N 1.16 2.06 0.00 1.67 0.00 -1.33 0.30 119.26 123.13 2key h ALA 15 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2key h ALA 15 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2key h ALA 15 CO -0.15 -0.11 -0.49 1.03 0.00 0.00 0.00 179.25 179.54 2key h SER 16 N 0.11 0.00 0.48 0.00 0.87 -0.72 -3.36 113.55 110.93 2key h SER 16 Ca 0.10 -0.67 -0.12 0.00 -1.23 0.00 0.00 61.79 59.87 2key h SER 16 Cb 0.24 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2key h SER 16 CO -0.01 1.12 -0.53 0.22 -0.53 0.00 0.00 176.83 177.10 2key h TYR 17 N -1.00 0.07 0.00 2.24 3.20 -0.45 -2.70 116.97 118.33 2key h TYR 17 Ca -0.13 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 2key h TYR 17 Cb 0.99 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 2key h TYR 17 CO 0.16 0.57 -0.15 1.98 -1.64 0.00 0.00 178.16 179.08 2key h MET 18 N 0.04 0.00 -0.32 1.82 4.05 -0.58 -1.61 114.93 118.33 2key h MET 18 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2key h MET 18 Cb 0.95 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.73 2key h MET 18 CO 0.07 0.15 0.21 0.87 0.23 0.00 0.00 176.91 178.45 2key h LYS 19 N 0.00 0.43 -0.50 0.39 1.57 -1.62 0.56 116.57 117.39 2key h LYS 19 Ca -0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2key h LYS 19 Cb 0.28 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2key h LYS 19 CO 0.02 0.29 0.19 1.15 -0.57 0.00 0.00 179.45 180.53 2key h THR 20 N 0.43 1.19 0.00 -0.16 2.02 -1.41 -1.94 112.91 113.04 2key h THR 20 Ca 0.12 -0.60 -0.17 0.00 0.77 0.00 0.00 66.41 66.53 2key h THR 20 Cb -0.04 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2key h THR 20 CO -0.03 0.24 -0.80 0.22 0.37 0.00 0.00 175.52 175.52 2key h TYR 21 N 0.72 0.00 0.00 3.16 3.20 -0.90 -3.07 116.97 120.08 2key h TYR 21 Ca 0.17 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2key h TYR 21 Cb 0.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2key h TYR 21 CO 0.01 0.80 0.00 0.45 -1.64 0.00 0.00 178.16 177.78 2key n SER 22 N -3.50 0.08 0.02 -2.11 2.88 0.19 -1.60 113.62 109.58 2key n SER 22 Ca -0.00 0.52 0.13 0.00 -1.33 0.00 0.00 58.87 58.19 2key n SER 22 Cb 0.79 -0.54 0.53 0.00 -0.75 0.00 0.00 64.21 64.25 2key n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2key n ARG 23 N -1.59 0.04 -0.03 -1.46 5.12 -1.12 -3.29 116.66 114.34 2key n ARG 23 Ca 0.03 0.08 0.04 0.00 -1.93 0.00 0.00 57.85 56.07 2key n ARG 23 Cb 0.14 -1.55 -0.13 0.00 -1.16 0.00 0.00 32.46 29.76 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 -1.62 0.79 -4.15 5.56 5.12 -0.63 -5.03 116.66 116.70 2key n ARG 24 Ca 0.06 -0.11 -0.25 0.00 -1.93 0.00 0.00 57.85 55.62 2key n ARG 24 Cb 0.32 -1.40 -0.07 0.00 -1.16 0.00 0.00 32.46 30.15 2key n ARG 24 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2key s LEU 25 N -4.46 3.01 0.57 0.55 0.05 -1.21 -5.12 118.68 112.07 2key s LEU 25 Ca -0.07 -1.14 -0.16 0.00 0.05 0.00 0.00 54.13 52.81 2key s LEU 25 Cb 0.09 -1.36 -0.05 0.00 -2.05 0.00 0.00 46.19 42.82 2key s LEU 25 CO 0.68 -0.63 1.04 -0.70 -0.55 0.00 0.00 176.35 176.19 2key s GLU 26 N -3.95 3.48 0.34 1.48 -6.30 -1.26 -4.88 118.70 107.61 2key s GLU 26 Ca 0.38 1.17 0.02 0.00 -2.50 0.00 0.00 54.97 54.03 2key s GLU 26 Cb 0.03 -2.06 0.59 0.00 0.00 0.00 0.00 34.13 32.69 2key s GLU 26 CO 0.21 -0.68 1.95 0.82 0.02 0.00 0.00 175.26 177.58 2key h ILE 27 N 0.61 1.18 -0.11 -3.70 1.08 -1.99 -1.17 117.51 113.41 2key h ILE 27 Ca -0.47 -0.49 -0.03 0.00 -0.39 0.00 0.00 64.86 63.48 2key h ILE 27 Cb 1.21 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 2key h ILE 27 CO 0.58 0.20 -0.09 1.23 -0.69 0.00 0.00 178.15 179.38 2key h GLY 28 N 0.86 0.17 0.38 5.37 0.00 -1.98 0.30 103.07 108.17 2key h GLY 28 Ca 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2key h GLY 28 CO -0.03 0.09 -0.05 -0.84 0.00 0.00 0.00 176.54 175.71 2key h THR 29 N 0.15 1.52 -0.02 4.70 2.02 -1.63 -2.10 112.91 117.55 2key h THR 29 Ca 0.03 -1.60 0.02 0.00 0.77 0.00 0.00 66.41 65.63 2key h THR 29 Cb 0.27 2.57 -0.03 0.00 -1.74 0.00 0.00 68.15 69.22 2key h THR 29 CO 0.01 0.42 -0.12 0.15 0.37 0.00 0.00 175.52 176.35 2key h PHE 30 N -0.59 -0.32 -0.02 3.16 3.57 -1.03 -2.73 116.94 118.98 2key h PHE 30 Ca -0.00 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2key h PHE 30 Cb 0.72 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2key h PHE 30 CO 0.16 -0.19 -0.26 -0.09 -2.23 0.00 0.00 178.31 175.70 2key h ARG 31 N -0.20 0.03 -0.42 1.11 2.43 -0.50 -1.83 114.38 115.00 2key h ARG 31 Ca 0.05 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2key h ARG 31 Cb 0.27 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2key h ARG 31 CO -0.14 0.30 0.12 1.25 -1.51 0.00 0.00 179.97 179.99 2key h HIS 32 N 0.03 0.62 -1.38 2.20 2.76 -1.05 -3.35 115.15 114.98 2key h HIS 32 Ca 0.00 -0.04 -0.34 0.00 -2.20 0.00 0.00 60.37 57.80 2key h HIS 32 Cb 0.49 -0.19 -0.25 0.00 1.55 0.00 0.00 27.41 29.01 2key h HIS 32 CO 0.00 0.52 -0.70 -2.39 -1.30 0.00 0.00 177.93 174.06 2key n HIS 33 N -4.34 -2.54 -0.08 5.26 1.44 -1.10 -4.98 115.22 108.89 2key n HIS 33 Ca 0.03 -2.24 -0.22 0.00 -2.01 0.00 0.00 57.72 53.29 2key n HIS 33 Cb 0.18 0.94 -0.12 0.00 0.12 0.00 0.00 29.99 31.11 2key n HIS 33 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 2key n LYS 34 N 2.57 0.67 -0.01 -1.40 2.85 -0.71 -4.63 118.16 117.49 2key n LYS 34 Ca 0.21 0.26 -0.09 0.00 -1.05 0.00 0.00 58.31 57.64 2key n LYS 34 Cb 0.54 -1.61 -0.07 0.00 -0.65 0.00 0.00 35.03 33.24 2key n LYS 34 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 2key h SER 35 N -0.26 -0.08 0.00 -5.58 0.02 -1.90 -3.45 113.55 102.31 2key h SER 35 Ca -0.52 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 59.96 2key h SER 35 Cb 1.83 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.39 2key h SER 35 CO -0.10 0.61 0.00 0.00 -1.14 0.00 0.00 176.83 176.21 2key h MET 37 N 0.00 0.54 -0.29 0.00 2.86 -1.91 -2.80 114.93 113.33 2key h MET 37 Ca 0.00 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 57.25 2key h MET 37 Cb 0.00 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2key h MET 37 CO 0.00 0.95 -0.01 -0.09 1.06 0.00 0.00 176.91 178.82 2key h ARG 38 N 0.42 0.44 -0.55 1.72 2.43 -1.12 0.32 114.38 118.04 2key h ARG 38 Ca 0.01 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2key h ARG 38 Cb 1.09 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 2key h ARG 38 CO 0.10 0.48 0.31 -0.22 -1.51 0.00 0.00 179.97 179.13 2key h LYS 39 N 0.43 0.76 -0.03 0.20 3.11 -1.64 -2.57 116.57 116.83 2key h LYS 39 Ca 0.09 -0.09 -0.15 0.00 -2.81 0.00 0.00 60.65 57.70 2key h LYS 39 Cb 0.30 -0.15 0.01 0.00 -1.00 0.00 0.00 32.23 31.39 2key h LYS 39 CO 0.01 0.58 -0.56 0.35 -2.81 0.00 0.00 179.45 177.02 2key h PHE 40 N 0.74 0.62 -1.68 1.91 3.57 -1.29 -3.45 116.94 117.35 2key h PHE 40 Ca 0.19 -0.32 -0.07 0.00 3.53 0.00 0.00 57.97 61.30 2key h PHE 40 Cb 0.04 -0.08 -0.27 0.00 2.79 0.00 0.00 35.95 38.43 2key h PHE 40 CO -0.02 1.12 -0.41 -1.59 -2.23 0.00 0.00 178.31 175.19 2key s LYS 41 N -3.34 0.41 -0.16 1.11 -2.85 0.11 -5.00 119.74 110.02 2key s LYS 41 Ca -0.13 0.72 0.07 0.00 -1.00 0.00 0.00 55.97 55.62 2key s LYS 41 Cb 0.04 -0.11 0.45 0.00 -2.06 0.00 0.00 37.83 36.15 2key s LYS 41 CO 0.82 -0.60 1.26 -0.85 0.10 0.00 0.00 175.35 176.08 2key n GLU 42 N 5.39 2.91 -0.42 1.78 0.28 -0.99 -3.86 120.64 125.72 2key n GLU 42 Ca -0.03 -1.76 0.00 0.00 -0.16 0.00 0.00 57.16 55.21 2key n GLU 42 Cb 0.50 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 31.49 2key n GLU 42 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 2key n TYR 43 N 0.20 -1.61 -2.14 -1.84 9.36 -1.26 -4.98 117.16 114.89 2key n TYR 43 Ca 0.19 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.38 2key n TYR 43 Cb 0.86 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.54 2key n TYR 43 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2key s GLU 45 N -0.83 3.01 0.00 0.00 -6.30 -1.26 -4.45 118.70 108.88 2key s GLU 45 Ca -0.15 -0.86 0.00 0.00 -2.50 0.00 0.00 54.97 51.47 2key s GLU 45 Cb 0.01 -2.95 0.00 0.00 0.00 0.00 0.00 34.13 31.19 2key s GLU 45 CO 0.46 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.83 2key n GLY 46 N 4.70 -0.41 2.97 -1.50 0.00 -1.24 -4.94 105.19 104.77 2key n GLY 46 Ca -0.17 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 1.60 0.00 0.99 0.20 0.91 -4.94 118.68 117.44 2key s LEU 47 Ca 0.00 -0.50 0.05 0.00 0.69 0.00 0.00 54.13 54.37 2key s LEU 47 Cb 0.00 -1.05 0.10 0.00 -0.43 0.00 0.00 46.19 44.81 2key s LEU 47 CO 0.00 -0.10 0.74 0.00 -0.29 0.00 0.00 176.35 176.70 2key n GLN 48 N 4.83 0.38 0.13 1.98 3.00 -1.26 -4.82 117.38 121.62 2key n GLN 48 Ca -0.15 -2.48 0.01 0.00 -0.01 0.00 0.00 57.00 54.38 2key n GLN 48 Cb 0.49 -0.35 0.32 0.00 0.00 0.00 0.00 30.24 30.70 2key n GLN 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2key h PHE 49 N -0.20 0.18 -0.17 1.08 -0.00 -2.00 -1.77 116.94 114.06 2key h PHE 49 Ca -0.25 -0.04 -0.04 0.00 -0.00 0.00 0.00 57.97 57.65 2key h PHE 49 Cb 1.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 35.95 36.93 2key h PHE 49 CO 0.00 0.46 -0.07 1.25 -0.00 0.00 0.00 178.31 179.95 2key h HIS 50 N 0.15 0.26 0.09 6.09 2.76 -2.04 -3.08 115.15 119.37 2key h HIS 50 Ca 0.02 -0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.04 2key h HIS 50 Cb 0.63 -0.08 0.01 0.00 1.55 0.00 0.00 27.41 29.52 2key h HIS 50 CO 0.01 0.33 -0.56 0.93 -1.30 0.00 0.00 177.93 177.34 2key h GLU 51 N 0.24 0.19 -5.80 5.26 3.07 -1.73 -3.40 114.58 112.41 2key h GLU 51 Ca 0.05 -0.33 -0.37 0.00 -0.50 0.00 0.00 59.36 58.22 2key h GLU 51 Cb 0.29 0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 28.26 2key h GLU 51 CO 0.01 1.16 0.93 -1.17 -1.40 0.00 0.00 179.01 178.54 2key s LEU 52 N -7.99 3.25 0.21 1.33 1.98 -0.79 -4.60 118.68 112.07 2key s LEU 52 Ca -0.16 -0.89 0.02 0.00 -2.89 0.00 0.00 54.13 50.21 2key s LEU 52 Cb -0.00 -2.56 -0.05 0.00 0.66 0.00 0.00 46.19 44.24 2key s LEU 52 CO 0.78 -2.45 0.04 0.42 -1.89 0.00 0.00 176.35 173.25 2key s THR 53 N 8.86 0.63 0.32 3.68 -4.23 -1.26 -4.89 115.64 118.74 2key s THR 53 Ca 0.64 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.22 2key s THR 53 Cb -0.05 -2.32 0.30 0.00 1.34 0.00 0.00 72.50 71.78 2key s THR 53 CO -0.03 -0.29 1.84 -0.08 -0.54 0.00 0.00 174.62 175.52 2key h GLU 54 N 2.58 0.81 -0.90 3.99 4.22 -1.90 -0.45 114.58 122.92 2key h GLU 54 Ca -0.37 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.04 2key h GLU 54 Cb 1.22 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 2key h GLU 54 CO 0.62 0.53 0.59 0.22 -2.18 0.00 0.00 179.01 178.79 2key h ASP 55 N 0.83 1.01 -0.16 1.04 3.58 -1.93 -0.11 116.42 120.67 2key h ASP 55 Ca 0.49 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.92 2key h ASP 55 Cb 0.66 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2key h ASP 55 CO -0.26 0.71 0.07 0.15 -2.88 0.00 0.00 179.24 177.03 2key h PHE 56 N 1.18 0.25 -0.75 0.28 3.04 -1.35 0.13 116.94 119.71 2key h PHE 56 Ca 0.35 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.31 2key h PHE 56 Cb -0.07 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.32 2key h PHE 56 CO -0.01 0.30 0.47 -0.07 -2.02 0.00 0.00 178.31 176.99 2key h LEU 57 N 0.11 0.77 -0.22 0.59 -0.00 -1.04 -1.13 115.31 114.40 2key h LEU 57 Ca 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.90 2key h LEU 57 Cb 0.16 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2key h LEU 57 CO -0.01 0.53 -0.00 -0.09 -0.00 0.00 0.00 178.44 178.87 2key h ARG 58 N 0.91 0.39 -0.83 1.13 2.43 -0.73 -1.87 114.38 115.82 2key h ARG 58 Ca 0.31 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2key h ARG 58 Cb 0.04 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2key h ARG 58 CO -0.12 0.58 0.40 0.22 -1.51 0.00 0.00 179.97 179.55 2key h ASP 59 N 0.15 1.08 0.19 -3.80 3.58 -0.43 0.97 116.42 118.17 2key h ASP 59 Ca 0.06 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.28 2key h ASP 59 Cb 0.41 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2key h ASP 59 CO 0.01 0.91 -0.38 0.22 -2.88 0.00 0.00 179.24 177.12 2key h TYR 60 N 1.18 0.30 -0.11 0.28 3.20 -1.19 0.15 116.97 120.78 2key h TYR 60 Ca 0.29 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2key h TYR 60 Cb 0.11 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 2key h TYR 60 CO 0.01 0.61 0.02 1.25 -1.64 0.00 0.00 178.16 178.41 2key h LEU 61 N 0.22 0.18 -0.35 2.82 5.85 -0.44 0.11 115.31 123.70 2key h LEU 61 Ca 0.02 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2key h LEU 61 Cb 0.78 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2key h LEU 61 CO 0.06 0.40 0.23 0.40 -0.34 0.00 0.00 178.44 179.19 2key h ILE 62 N -0.05 1.10 -0.97 4.05 2.04 -0.60 -1.22 117.51 121.85 2key h ILE 62 Ca 0.03 -0.19 0.07 0.00 1.00 0.00 0.00 64.86 65.77 2key h ILE 62 Cb 0.30 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 2key h ILE 62 CO 0.00 0.09 0.62 0.22 0.00 0.00 0.00 178.15 179.09 2key h TYR 63 N 0.48 1.15 -0.74 1.37 5.03 -0.62 0.50 116.97 124.14 2key h TYR 63 Ca 0.13 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.48 2key h TYR 63 Cb -0.04 -0.38 -0.04 0.00 1.55 0.00 0.00 36.73 37.82 2key h TYR 63 CO -0.05 0.59 0.49 1.98 -1.32 0.00 0.00 178.16 179.85 2key h MET 64 N 1.12 0.98 0.23 1.82 4.05 -0.17 0.56 114.93 123.52 2key h MET 64 Ca 0.42 -0.06 -0.33 0.00 -0.28 0.00 0.00 59.70 59.45 2key h MET 64 Cb 0.18 -0.22 0.03 0.00 -0.80 0.00 0.00 31.60 30.79 2key h MET 64 CO -0.18 0.65 -1.45 -0.22 0.23 0.00 0.00 176.91 175.94 2key h LYS 65 N 1.01 0.48 0.05 0.39 3.11 -0.22 0.21 116.57 121.61 2key h LYS 65 Ca 0.27 -0.83 -0.00 0.00 -2.81 0.00 0.00 60.65 57.28 2key h LYS 65 Cb -0.11 0.31 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 2key h LYS 65 CO -0.06 1.39 -0.02 -0.22 -2.81 0.00 0.00 179.45 177.73 2key h LYS 66 N 0.13 -0.06 0.11 1.90 3.64 0.04 -2.96 116.57 119.37 2key h LYS 66 Ca -0.24 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.98 2key h LYS 66 Cb 2.13 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.99 2key h LYS 66 CO 0.26 -0.04 -0.71 1.15 -2.27 0.00 0.00 179.45 177.84 2key h THR 67 N -0.48 1.54 0.00 1.00 2.02 -1.10 -3.30 112.91 112.59 2key h THR 67 Ca -0.01 -2.47 -0.05 0.00 0.77 0.00 0.00 66.41 64.65 2key h THR 67 Cb 0.05 3.17 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 2key h THR 67 CO 0.01 0.70 -0.72 -0.07 0.37 0.00 0.00 175.52 175.80 2key h LEU 68 N -0.41 0.00 -2.31 2.58 3.38 -1.39 -3.49 115.31 113.66 2key h LEU 68 Ca -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2key h LEU 68 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2key h LEU 68 CO 0.13 0.20 -0.40 0.00 0.09 0.00 0.00 178.44 178.46 2key s ASN 70 N -2.69 0.32 0.77 0.00 0.01 -0.68 -4.95 114.94 107.72 2key s ASN 70 Ca 0.20 -0.76 -0.11 0.00 -0.71 0.00 0.00 52.86 51.47 2key s ASN 70 Cb -0.05 0.22 0.06 0.00 0.41 0.00 0.00 41.25 41.88 2key s ASN 70 CO 0.77 -0.56 1.14 0.00 -1.51 0.00 0.00 177.10 176.94 2key s ALA 71 N -3.26 2.77 0.46 0.60 0.00 -1.26 -4.07 121.76 117.00 2key s ALA 71 Ca 0.01 -0.57 0.13 0.00 0.00 0.00 0.00 51.96 51.53 2key s ALA 71 Cb 0.03 -2.95 1.04 0.00 0.00 0.00 0.00 23.12 21.24 2key s ALA 71 CO -0.08 -1.47 2.04 0.38 0.00 0.00 0.00 175.76 176.63 2key h ASP 72 N -0.89 0.08 0.29 0.00 2.03 -1.98 -1.71 116.42 114.25 2key h ASP 72 Ca -0.46 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 55.83 2key h ASP 72 Cb 1.30 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 39.76 2key h ASP 72 CO 0.65 0.17 -0.27 0.28 -1.03 0.00 0.00 179.24 179.03 2key h SER 73 N 0.09 -0.73 -0.76 4.15 0.02 -1.99 0.28 113.55 114.61 2key h SER 73 Ca 0.02 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2key h SER 73 Cb 0.18 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2key h SER 73 CO 0.01 -0.40 0.32 0.74 -1.14 0.00 0.00 176.83 176.36 2key h THR 74 N -0.59 1.25 -0.48 -2.27 2.02 -1.84 -2.97 112.91 108.03 2key h THR 74 Ca -0.01 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.33 2key h THR 74 Cb 0.54 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2key h THR 74 CO -0.05 0.31 0.02 0.00 0.37 0.00 0.00 175.52 176.18 2key h ALA 75 N 1.16 0.64 -0.12 6.16 0.00 -1.02 -2.90 119.26 123.20 2key h ALA 75 Ca 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2key h ALA 75 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2key h ALA 75 CO -0.02 0.43 -0.09 1.96 0.00 0.00 0.00 179.25 181.52 2key h GLN 76 N 0.69 0.17 -0.66 0.00 1.08 -0.31 0.51 115.11 116.60 2key h GLN 76 Ca 0.14 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2key h GLN 76 Cb 0.48 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 2key h GLN 76 CO 0.02 0.27 0.43 0.00 -0.95 0.00 0.00 178.83 178.60 2key h ARG 77 N 0.17 0.87 0.07 1.46 -0.00 -1.36 0.53 114.38 116.11 2key h ARG 77 Ca 0.04 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.46 2key h ARG 77 Cb 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.05 2key h ARG 77 CO 0.01 0.58 -0.03 -0.97 0.00 0.00 0.00 179.97 179.57 2key h ASN 78 N 0.89 -0.07 -0.21 7.04 -0.73 -1.22 -2.68 115.58 118.60 2key h ASN 78 Ca 0.24 -0.32 -0.03 0.00 1.87 0.00 0.00 56.30 58.06 2key h ASN 78 Cb -0.09 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 2key h ASN 78 CO -0.05 0.29 0.06 -0.07 -0.37 0.00 0.00 177.43 177.29 2key h LEU 79 N -0.45 0.38 -1.08 0.34 3.38 -0.79 -1.16 115.31 115.93 2key h LEU 79 Ca -0.01 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2key h LEU 79 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2key h LEU 79 CO 0.01 0.40 -0.22 -1.28 0.09 0.00 0.00 178.44 177.45 2key h SER 80 N 0.42 0.39 -0.68 -0.43 0.87 0.09 0.32 113.55 114.52 2key h SER 80 Ca 0.10 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 2key h SER 80 Cb 0.19 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2key h SER 80 CO -0.00 0.62 0.30 0.74 -0.53 0.00 0.00 176.83 177.96 2key h THR 81 N 0.35 1.24 -0.45 2.23 2.02 -0.86 0.45 112.91 117.89 2key h THR 81 Ca 0.06 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 2key h THR 81 Cb 0.58 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2key h THR 81 CO 0.04 0.28 0.07 0.40 0.37 0.00 0.00 175.52 176.68 2key h ILE 82 N 0.95 1.25 -0.56 3.11 2.04 -1.11 -2.98 117.51 120.21 2key h ILE 82 Ca 0.23 -0.91 0.07 0.00 1.00 0.00 0.00 64.86 65.25 2key h ILE 82 Cb 0.16 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2key h ILE 82 CO -0.02 0.32 0.38 0.50 0.00 0.00 0.00 178.15 179.32 2key h LYS 83 N 0.62 0.45 0.47 2.37 3.11 0.37 -1.78 116.57 122.18 2key h LYS 83 Ca 0.14 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.93 2key h LYS 83 Cb 0.39 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 2key h LYS 83 CO 0.01 0.30 -0.22 0.82 -2.81 0.00 0.00 179.45 177.54 2key h ILE 84 N 0.46 0.54 0.00 2.00 2.04 -0.77 0.25 117.51 122.03 2key h ILE 84 Ca 0.25 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.89 2key h ILE 84 Cb 0.39 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2key h ILE 84 CO -0.07 0.02 -0.63 0.10 0.00 0.00 0.00 178.15 177.57 2key h TYR 85 N -0.68 0.00 -0.18 1.37 -0.00 -1.52 -2.82 116.97 113.14 2key h TYR 85 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.47 2key h TYR 85 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.24 2key h TYR 85 CO -0.03 0.63 -0.66 0.28 -0.00 0.00 0.00 178.16 178.37 2key h VAL 86 N 0.00 1.29 -0.71 -0.90 2.07 -1.29 -3.24 116.25 113.46 2key h VAL 86 Ca -0.01 -1.87 0.04 0.00 0.82 0.00 0.00 66.70 65.69 2key h VAL 86 Cb 1.18 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.83 2key h VAL 86 CO 0.08 0.59 0.47 0.28 0.02 0.00 0.00 177.57 179.02 2key h SER 87 N 0.50 0.72 -0.66 0.57 0.02 -0.26 0.43 113.55 114.86 2key h SER 87 Ca -0.03 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.99 2key h SER 87 Cb 1.29 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.61 2key h SER 87 CO 0.14 0.49 0.33 0.00 -1.14 0.00 0.00 176.83 176.65 2key h ALA 88 N 1.59 0.89 0.00 3.77 0.00 -1.53 0.24 119.26 124.22 2key h ALA 88 Ca 0.29 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2key h ALA 88 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2key h ALA 88 CO -0.09 -0.04 -0.19 0.00 0.00 0.00 0.00 179.25 178.93 2key h ALA 89 N 1.39 0.99 0.08 0.00 0.00 -1.09 -1.73 119.26 118.89 2key h ALA 89 Ca 0.32 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2key h ALA 89 Cb 0.29 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.07 2key h ALA 89 CO -0.24 0.23 -0.63 0.82 0.00 0.00 0.00 179.25 179.43 2key h ILE 90 N 0.00 1.52 0.15 0.00 2.04 0.84 0.63 117.51 122.69 2key h ILE 90 Ca -0.00 -2.34 -0.28 0.00 1.00 0.00 0.00 64.86 63.24 2key h ILE 90 Cb 0.78 3.01 0.03 0.00 -0.74 0.00 0.00 36.82 39.90 2key h ILE 90 CO 0.02 0.66 -1.19 0.11 0.00 0.00 0.00 178.15 177.75 2key h LYS 91 N -0.36 0.54 -1.09 2.37 6.56 -0.61 -3.41 116.57 120.56 2key h LYS 91 Ca -0.10 -0.78 -0.39 0.00 -1.06 0.00 0.00 60.65 58.31 2key h LYS 91 Cb 1.44 0.27 -0.27 0.00 -0.57 0.00 0.00 32.23 33.10 2key h LYS 91 CO 0.12 1.36 -0.80 1.17 -2.06 0.00 0.00 179.45 179.24 2key n LYS 92 N -3.86 0.70 0.00 3.15 3.00 -0.65 -5.04 118.16 115.46 2key n LYS 92 Ca -0.14 -2.50 0.00 0.00 -0.00 0.00 0.00 58.31 55.66 2key n LYS 92 Cb 0.97 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 34.63 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 1.68 -0.33 0.00 3.14 0.00 -0.64 -4.60 105.19 104.44 2key n GLY 93 Ca 0.16 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 0.00 -2.12 1.61 9.36 0.21 -4.99 117.16 121.22 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 -1.00 4.28 -0.02 2.98 -1.94 -0.29 -4.93 119.30 118.38 2key s MET 95 Ca 0.00 2.11 -0.24 0.00 -1.71 0.00 0.00 55.69 55.86 2key s MET 95 Cb 0.00 -3.38 -0.20 0.00 2.01 0.00 0.00 34.83 33.26 2key s MET 95 CO 0.00 -0.54 1.19 0.93 -0.01 0.00 0.00 175.02 176.59 2key h GLU 96 N 7.32 0.17 -4.53 2.03 5.08 -1.86 -3.37 114.58 119.42 2key h GLU 96 Ca -0.41 -0.12 -0.20 0.00 -1.00 0.00 0.00 59.36 57.63 2key h GLU 96 Cb 1.20 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.32 2key h GLU 96 CO 0.89 0.73 -0.68 -0.80 -1.00 0.00 0.00 179.01 178.15 2key s ASN 97 N -6.06 0.86 0.30 1.42 0.01 -1.26 -4.95 114.94 105.27 2key s ASN 97 Ca -0.15 -1.06 -0.28 0.00 -0.71 0.00 0.00 52.86 50.65 2key s ASN 97 Cb 0.02 0.15 -0.09 0.00 0.41 0.00 0.00 41.25 41.74 2key s ASN 97 CO 0.72 -0.55 1.10 -1.81 -1.51 0.00 0.00 177.10 175.05 2key s ASP 98 N -3.03 7.14 0.37 -1.22 1.11 -1.26 -4.96 116.67 114.83 2key s ASP 98 Ca 0.14 2.26 0.20 0.00 0.18 0.00 0.00 52.55 55.33 2key s ASP 98 Cb 0.06 -2.62 0.31 0.00 1.07 0.00 0.00 42.92 41.74 2key s ASP 98 CO -0.04 -0.23 1.57 -0.65 1.18 0.00 0.00 175.17 177.00 2key h PRO 99 N 3.57 0.00 0.00 8.23 0.11 -1.96 -3.23 132.00 138.72 2key h PRO 99 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2key h PRO 99 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2key h PRO 99 CO 0.66 0.25 0.00 1.97 -0.21 0.00 0.00 178.00 180.67 2key n PHE 100 N -3.19 0.00 -0.33 0.65 -1.74 -1.26 -3.60 117.46 108.00 2key n PHE 100 Ca 0.03 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.03 2key n PHE 100 Cb 0.61 -0.45 0.30 0.00 1.52 0.00 0.00 39.48 41.45 2key n PHE 100 CO 0.00 0.00 0.00 -0.22 -0.56 0.00 0.00 176.76 175.98 2key h LYS 101 N 0.00 0.64 0.00 3.97 3.11 -1.97 -3.13 116.57 119.18 2key h LYS 101 Ca 0.00 -0.04 -0.26 0.00 -2.81 0.00 0.00 60.65 57.55 2key h LYS 101 Cb 0.43 -0.14 -0.05 0.00 -1.00 0.00 0.00 32.23 31.47 2key h LYS 101 CO 0.00 0.42 -1.97 -3.47 -2.81 0.00 0.00 179.45 171.62 2key n ASP 102 N -4.85 2.57 -2.98 4.20 2.03 -1.25 -4.73 116.55 111.54 2key n ASP 102 Ca 0.22 -0.08 -0.16 0.00 0.52 0.00 0.00 54.79 55.29 2key n ASP 102 Cb 0.56 -0.15 -0.01 0.00 -0.72 0.00 0.00 41.12 40.80 2key n ASP 102 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2key n PHE 103 N -2.95 -1.69 -0.60 -0.67 7.35 -1.19 -2.20 117.46 115.52 2key n PHE 103 Ca -0.29 0.24 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 2key n PHE 103 Cb 0.83 -2.31 0.00 0.00 0.35 0.00 0.00 39.48 38.36 2key n PHE 103 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2key n GLY 104 N -0.89 0.62 2.00 7.13 0.00 -1.26 -4.90 105.19 107.89 2key n GLY 104 Ca -0.04 -0.56 -0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.49 -4.47 0.00 0.99 7.94 -1.13 -5.05 117.00 114.79 2key n LEU 105 Ca 0.00 0.56 0.00 0.00 -1.11 0.00 0.00 56.01 55.46 2key n LEU 105 Cb 0.20 -1.97 0.00 0.00 0.53 0.00 0.00 43.42 42.18 2key n LEU 105 CO 0.00 -1.29 0.03 1.21 -1.11 0.00 0.00 177.39 176.22 2key n GLU 106 N 0.23 0.00 -0.12 1.96 2.13 -0.94 -4.89 120.64 119.01 2key n GLU 106 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2key n GLU 106 Cb 0.02 -0.44 0.00 0.00 0.27 0.00 0.00 31.44 31.28 2key n GLU 106 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2key n HIS 107 N -0.37 0.00 -3.41 4.31 -0.00 -1.26 -5.02 115.22 109.46 2key n HIS 107 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 2key n HIS 107 Cb 0.00 0.04 0.05 0.00 -0.00 0.00 0.00 29.99 30.08 2key n HIS 107 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2key n HIS 108 N 0.00 -2.31 -3.39 1.57 -0.00 -1.26 -4.98 115.22 104.84 2key n HIS 108 Ca 0.00 0.74 -0.38 0.00 0.46 0.00 0.00 57.72 58.54 2key n HIS 108 Cb 0.53 -3.80 -0.07 0.00 -0.12 0.00 0.00 29.99 26.53 2key n HIS 108 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2key s HIS 109 N -3.34 3.38 0.03 1.57 3.76 -1.26 -5.03 115.29 114.41 2key s HIS 109 Ca 0.38 0.63 -0.30 0.00 -0.15 0.00 0.00 55.06 55.61 2key s HIS 109 Cb -0.09 -2.52 -0.09 0.00 1.11 0.00 0.00 32.58 30.99 2key s HIS 109 CO 0.80 0.01 1.95 -1.58 -0.85 0.00 0.00 174.74 175.06 2key s HIS 110 N 1.25 1.32 0.05 1.40 2.46 -1.26 -4.82 115.29 115.70 2key s HIS 110 Ca 0.19 -0.43 -0.36 0.00 0.47 0.00 0.00 55.06 54.94 2key s HIS 110 Cb -0.15 -4.23 -0.15 0.00 -0.13 0.00 0.00 32.58 27.92 2key s HIS 110 CO 0.08 -5.49 1.55 -2.39 -2.47 0.00 0.00 174.74 166.02 2key n HIS 111 N 7.49 1.99 -0.26 3.88 1.44 -1.26 -5.27 115.22 123.24 2key n HIS 111 Ca 0.20 0.39 0.00 0.00 -2.01 0.00 0.00 57.72 56.29 2key n HIS 111 Cb 0.41 -2.48 0.00 0.00 0.12 0.00 0.00 29.99 28.04 2key n HIS 111 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11