#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kff h PRO 36 N 0.00 -0.41 0.00 1.61 0.11 -2.10 -3.47 132.00 127.75 2kff h PRO 36 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2kff h PRO 36 Cb 0.00 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.20 2kff h PRO 36 CO 0.00 -0.27 0.00 1.28 -0.21 0.00 0.00 178.00 178.80 2kff n LEU 37 N -3.89 -0.11 0.00 2.35 4.77 -1.26 -5.13 117.00 113.73 2kff n LEU 37 Ca -0.05 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2kff n LEU 37 Cb 0.17 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2kff n LEU 37 CO 0.13 -0.54 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 2kff n GLY 38 N 1.24 2.54 0.18 -0.72 0.00 -1.26 -5.06 105.19 102.12 2kff n GLY 38 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 2kff n GLY 38 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kff h SER 39 N 0.00 -0.32 -4.09 1.61 0.02 -2.02 -3.38 113.55 105.37 2kff h SER 39 Ca 0.00 -0.09 -0.66 0.00 -0.84 0.00 0.00 61.79 60.20 2kff h SER 39 Cb 0.00 0.08 -0.40 0.00 0.14 0.00 0.00 62.40 62.23 2kff h SER 39 CO 0.00 -0.10 -0.62 -1.81 -1.14 0.00 0.00 176.83 173.17 2kff s ASP 40 N -4.99 4.63 -0.35 3.07 1.11 -1.26 -5.05 116.67 113.83 2kff s ASP 40 Ca -0.15 -2.69 -0.10 0.00 0.18 0.00 0.00 52.55 49.79 2kff s ASP 40 Cb 0.04 -1.68 0.01 0.00 1.07 0.00 0.00 42.92 42.36 2kff s ASP 40 CO 0.61 -0.31 0.18 1.51 1.18 0.00 0.00 175.17 178.34 2kff s ASP 41 N 0.31 5.64 -0.11 0.27 -4.77 -1.26 -5.08 116.67 111.68 2kff s ASP 41 Ca 0.15 -0.81 -0.03 0.00 -3.30 0.00 0.00 52.55 48.56 2kff s ASP 41 Cb -0.23 -2.01 -0.03 0.00 -1.09 0.00 0.00 42.92 39.56 2kff s ASP 41 CO -0.03 -0.31 0.01 -0.69 0.70 0.00 0.00 175.17 174.85 2kff s VAL 42 N 1.57 4.38 -0.07 2.11 1.01 -1.26 -5.11 120.40 123.03 2kff s VAL 42 Ca 0.03 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2kff s VAL 42 Cb -0.18 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2kff s VAL 42 CO 0.06 0.58 -0.10 -1.83 0.00 0.00 0.00 175.10 173.82 2kff s GLU 43 N -0.61 2.80 -0.45 2.72 -1.05 -1.26 -5.09 118.70 115.77 2kff s GLU 43 Ca 0.10 -0.60 -0.18 0.00 -0.15 0.00 0.00 54.97 54.13 2kff s GLU 43 Cb -0.12 -2.55 0.03 0.00 -0.44 0.00 0.00 34.13 31.05 2kff s GLU 43 CO 0.02 0.58 0.52 -0.46 0.95 0.00 0.00 175.26 176.87 2kff s TRP 44 N -0.59 3.13 0.05 4.83 -0.00 -1.26 -4.90 118.94 120.20 2kff s TRP 44 Ca 0.09 -0.38 0.32 0.00 -0.00 0.00 0.00 56.10 56.13 2kff s TRP 44 Cb -0.12 -3.14 1.50 0.00 -0.00 0.00 0.00 33.47 31.72 2kff s TRP 44 CO 0.02 -0.81 1.96 -0.39 -0.00 0.00 0.00 176.95 177.73 2kff h VAL 45 N 5.79 0.00 0.00 5.86 -1.51 -1.98 -0.49 116.25 123.92 2kff h VAL 45 Ca -0.26 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 2kff h VAL 45 Cb 1.10 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2kff h VAL 45 CO 0.86 0.00 0.00 0.58 -1.23 0.00 0.00 177.57 177.78 2kff h VAL 46 N 0.00 0.00 0.00 7.19 2.07 -1.91 -2.46 116.25 121.13 2kff h VAL 46 Ca 0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2kff h VAL 46 Cb 0.28 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2kff h VAL 46 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2kff n GLY 47 N 0.63 -1.24 0.09 2.17 0.00 -0.19 -1.81 105.19 104.83 2kff n GLY 47 Ca 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 2kff n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kff h LYS 48 N 0.00 0.00 -0.20 1.61 1.79 -1.59 -3.32 116.57 114.87 2kff h LYS 48 Ca 0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 2kff h LYS 48 Cb 0.37 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 30.77 2kff h LYS 48 CO 0.00 0.86 -0.80 -0.25 -1.08 0.00 0.00 179.45 178.18 2kff n ASP 49 N -3.40 2.09 -0.03 0.86 9.92 -1.09 -4.86 116.55 120.02 2kff n ASP 49 Ca 0.00 -3.07 -0.14 0.00 -0.53 0.00 0.00 54.79 51.05 2kff n ASP 49 Cb 0.85 -0.42 -0.10 0.00 -0.64 0.00 0.00 41.12 40.81 2kff n ASP 49 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2kff h LYS 50 N 1.44 0.17 -0.65 -1.24 3.11 -1.46 -3.18 116.57 114.77 2kff h LYS 50 Ca -0.02 -0.12 0.19 0.00 -2.81 0.00 0.00 60.65 57.89 2kff h LYS 50 Cb 1.40 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.62 2kff h LYS 50 CO 0.20 0.74 0.48 -1.00 -2.81 0.00 0.00 179.45 177.06 2kff h PRO 51 N -0.36 0.00 -0.15 1.90 0.13 -1.88 0.43 132.00 132.08 2kff h PRO 51 Ca -0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2kff h PRO 51 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2kff h PRO 51 CO 0.03 0.00 -0.36 1.15 -0.23 0.00 0.00 178.00 178.59 2kff h THR 52 N 0.00 1.36 0.00 1.56 2.02 -1.95 -0.83 112.91 115.07 2kff h THR 52 Ca 0.31 -1.63 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 2kff h THR 52 Cb 1.27 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 69.69 2kff h THR 52 CO -0.00 0.49 -0.14 1.88 0.37 0.00 0.00 175.52 178.12 2kff h TYR 53 N 0.13 0.00 -0.09 3.16 0.05 -1.14 -1.97 116.97 117.11 2kff h TYR 53 Ca -0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 2kff h TYR 53 Cb 0.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.71 2kff h TYR 53 CO 0.10 0.14 -0.37 0.22 -1.05 0.00 0.00 178.16 177.20 2kff h ASP 54 N 0.00 0.49 -0.71 3.88 1.82 -0.80 -1.10 116.42 120.00 2kff h ASP 54 Ca -0.00 -0.63 0.01 0.00 -0.39 0.00 0.00 57.03 56.02 2kff h ASP 54 Cb 0.63 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.46 2kff h ASP 54 CO 0.02 1.03 0.47 -0.08 -1.61 0.00 0.00 179.24 179.07 2kff h GLU 55 N -0.03 0.92 -0.14 0.28 4.81 -0.75 -1.56 114.58 118.12 2kff h GLU 55 Ca -0.02 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 2kff h GLU 55 Cb 1.01 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2kff h GLU 55 CO 0.08 0.61 -0.48 0.82 -0.73 0.00 0.00 179.01 179.31 2kff h ILE 56 N 0.95 1.33 -0.05 2.32 2.04 -1.40 -3.20 117.51 119.50 2kff h ILE 56 Ca 0.26 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.43 2kff h ILE 56 Cb -0.10 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2kff h ILE 56 CO -0.06 0.51 0.02 0.15 0.00 0.00 0.00 178.15 178.77 2kff h PHE 57 N 0.28 0.09 0.00 1.37 3.57 -0.38 -2.93 116.94 118.94 2kff h PHE 57 Ca 0.02 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2kff h PHE 57 Cb 0.95 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 2kff h PHE 57 CO 0.02 0.26 -0.08 1.88 -2.23 0.00 0.00 178.31 178.16 2kff h TYR 58 N -0.11 0.00 0.00 0.41 -1.99 -1.36 -2.32 116.97 111.60 2kff h TYR 58 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2kff h TYR 58 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.94 2kff h TYR 58 CO -0.01 0.08 0.00 0.25 -0.00 0.00 0.00 178.16 178.48 2kff n THR 59 N -3.22 0.00 -0.00 -2.88 -2.24 -1.11 -2.73 114.28 102.11 2kff n THR 59 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 2kff n THR 59 Cb 0.34 -0.52 0.19 0.00 -2.10 0.00 0.00 70.33 68.25 2kff n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kff n LEU 60 N -1.02 3.19 -2.53 3.22 4.77 -0.87 -5.03 117.00 118.72 2kff n LEU 60 Ca 0.22 -1.73 -0.00 0.00 -0.03 0.00 0.00 56.01 54.47 2kff n LEU 60 Cb 0.12 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2kff n LEU 60 CO 0.18 0.75 -0.42 -0.24 -1.33 0.00 0.00 177.39 176.33 2kff n SER 61 N 1.07 -7.13 -4.63 -1.43 2.88 -1.11 -4.85 113.62 98.42 2kff n SER 61 Ca 0.16 1.22 -0.42 0.00 -1.33 0.00 0.00 58.87 58.50 2kff n SER 61 Cb 0.50 -4.69 -0.04 0.00 -0.75 0.00 0.00 64.21 59.23 2kff n SER 61 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2kff s PRO 62 N -1.40 4.03 -0.15 -1.46 0.04 -1.26 -4.61 135.00 130.20 2kff s PRO 62 Ca 0.00 0.78 -0.18 0.00 0.04 0.00 0.00 61.00 61.65 2kff s PRO 62 Cb -0.00 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 2kff s PRO 62 CO 0.67 -0.70 0.47 0.08 0.04 0.00 0.00 177.00 177.57 2kff s VAL 63 N 3.09 5.17 -1.78 -0.36 1.01 0.22 -3.61 120.40 124.14 2kff s VAL 63 Ca 0.36 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.26 2kff s VAL 63 Cb -0.14 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2kff s VAL 63 CO 0.12 0.28 0.00 0.59 0.00 0.00 0.00 175.10 176.09 2kff n ASN 64 N 4.04 -5.07 0.00 3.32 3.02 -1.26 -1.19 115.26 118.11 2kff n ASN 64 Ca -0.07 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 2kff n ASN 64 Cb 0.51 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 2kff n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kff n GLY 65 N -0.88 0.80 3.22 7.41 0.00 -1.24 -5.03 105.19 109.48 2kff n GLY 65 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 2kff n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kff s LYS 66 N -0.15 1.40 0.24 1.61 3.01 -0.34 -4.33 119.74 121.18 2kff s LYS 66 Ca 0.00 -0.84 -0.22 0.00 -1.01 0.00 0.00 55.97 53.90 2kff s LYS 66 Cb 0.00 -1.45 -0.09 0.00 -1.01 0.00 0.00 37.83 35.28 2kff s LYS 66 CO 0.00 0.38 0.78 0.96 0.51 0.00 0.00 175.35 177.98 2kff s ILE 67 N -0.69 4.46 0.76 2.17 -4.36 0.05 0.69 121.20 124.27 2kff s ILE 67 Ca 0.07 1.46 -0.11 0.00 -0.26 0.00 0.00 60.65 61.81 2kff s ILE 67 Cb -0.08 -3.93 0.05 0.00 1.25 0.00 0.00 42.46 39.75 2kff s ILE 67 CO 0.01 0.23 1.08 0.42 0.24 0.00 0.00 174.94 176.92 2kff s THR 68 N -1.50 3.46 0.50 8.37 -4.23 -1.26 -1.85 115.64 119.12 2kff s THR 68 Ca 0.44 0.47 0.19 0.00 -1.18 0.00 0.00 61.69 61.61 2kff s THR 68 Cb -0.18 -3.20 0.34 0.00 1.34 0.00 0.00 72.50 70.80 2kff s THR 68 CO 0.22 -0.62 2.04 1.23 -0.54 0.00 0.00 174.62 176.95 2kff h GLY 69 N -0.95 0.17 0.42 3.99 0.00 -1.98 -2.64 103.07 102.08 2kff h GLY 69 Ca -0.46 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 46.86 2kff h GLY 69 CO 0.58 0.03 -0.23 0.00 0.00 0.00 0.00 176.54 176.92 2kff h ALA 70 N 1.80 -0.26 0.13 3.60 0.00 -1.95 0.17 119.26 122.74 2kff h ALA 70 Ca 0.18 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.83 2kff h ALA 70 Cb 0.57 0.42 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2kff h ALA 70 CO -0.02 -0.71 -1.24 -0.91 0.00 0.00 0.00 179.25 176.37 2kff h ASN 71 N -0.33 0.49 0.59 0.00 2.35 -1.81 -1.88 115.58 115.00 2kff h ASN 71 Ca 0.07 -0.51 -0.07 0.00 -0.55 0.00 0.00 56.30 55.25 2kff h ASN 71 Cb 0.44 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2kff h ASN 71 CO -0.24 1.39 -0.31 0.00 -1.65 0.00 0.00 177.43 176.62 2kff h ALA 72 N 0.54 1.18 0.27 -0.83 0.00 -1.48 -2.26 119.26 116.68 2kff h ALA 72 Ca -0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2kff h ALA 72 Cb 1.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2kff h ALA 72 CO 0.21 0.39 -0.13 -0.22 0.00 0.00 0.00 179.25 179.50 2kff h LYS 73 N 0.00 -0.35 -0.92 0.00 3.64 -0.40 -1.85 116.57 116.68 2kff h LYS 73 Ca -0.00 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2kff h LYS 73 Cb 0.69 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 2kff h LYS 73 CO 0.04 -0.00 0.60 1.57 -2.27 0.00 0.00 179.45 179.39 2kff h LYS 74 N -0.79 1.07 -0.41 1.90 2.10 -1.30 0.93 116.57 120.07 2kff h LYS 74 Ca -0.04 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.53 2kff h LYS 74 Cb 0.51 -0.24 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 2kff h LYS 74 CO 0.06 0.71 0.17 1.49 -2.00 0.00 0.00 179.45 179.88 2kff h GLU 75 N 1.10 0.61 0.00 0.07 4.57 -1.39 0.12 114.58 119.66 2kff h GLU 75 Ca 0.38 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.40 2kff h GLU 75 Cb 0.11 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2kff h GLU 75 CO -0.13 0.56 -0.29 0.52 -1.18 0.00 0.00 179.01 178.48 2kff h MET 76 N 0.52 0.00 -0.27 1.92 2.86 -0.47 -1.14 114.93 118.35 2kff h MET 76 Ca 0.14 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.61 2kff h MET 76 Cb 0.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2kff h MET 76 CO -0.01 0.29 -0.49 0.28 1.06 0.00 0.00 176.91 178.04 2kff h VAL 77 N 0.00 1.29 0.00 -2.22 2.07 -0.08 -2.38 116.25 114.93 2kff h VAL 77 Ca -0.00 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.83 2kff h VAL 77 Cb 0.60 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2kff h VAL 77 CO 0.04 0.54 0.00 0.29 0.02 0.00 0.00 177.57 178.46 2kff n LYS 78 N -4.00 0.13 0.10 1.57 4.76 0.35 -1.26 118.16 119.81 2kff n LYS 78 Ca -0.03 0.32 0.13 0.00 -2.87 0.00 0.00 58.31 55.85 2kff n LYS 78 Cb 0.59 -1.73 0.38 0.00 -1.84 0.00 0.00 35.03 32.43 2kff n LYS 78 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2kff n SER 79 N -1.98 0.81 -0.56 4.39 7.64 -0.51 -4.93 113.62 118.47 2kff n SER 79 Ca 0.03 0.53 -0.07 0.00 1.01 0.00 0.00 58.87 60.37 2kff n SER 79 Cb 0.25 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 2kff n SER 79 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kff n LYS 80 N -2.25 -0.59 -3.18 1.43 4.01 -0.39 -5.01 118.16 112.18 2kff n LYS 80 Ca 0.05 0.72 -0.36 0.00 -0.51 0.00 0.00 58.31 58.22 2kff n LYS 80 Cb 0.43 -4.54 -0.06 0.00 -0.51 0.00 0.00 35.03 30.35 2kff n LYS 80 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2kff s LEU 81 N -1.65 4.35 0.67 -0.35 2.01 -1.22 -5.05 118.68 117.44 2kff s LEU 81 Ca 0.00 1.31 -0.17 0.00 0.01 0.00 0.00 54.13 55.28 2kff s LEU 81 Cb 0.00 -3.47 0.01 0.00 0.01 0.00 0.00 46.19 42.74 2kff s LEU 81 CO 0.00 0.06 1.26 -2.16 1.01 0.00 0.00 176.35 176.52 2kff s PRO 82 N -1.94 2.42 0.42 1.29 0.04 -1.26 -4.79 135.00 131.18 2kff s PRO 82 Ca 0.41 1.95 0.09 0.00 0.04 0.00 0.00 61.00 63.50 2kff s PRO 82 Cb -0.16 -1.84 0.92 0.00 0.04 0.00 0.00 34.50 33.45 2kff s PRO 82 CO 0.20 -1.67 2.03 -0.91 0.04 0.00 0.00 177.00 176.70 2kff h ASN 83 N 0.27 0.43 0.13 6.66 4.21 -1.98 -0.72 115.58 124.59 2kff h ASN 83 Ca -0.50 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.00 2kff h ASN 83 Cb 1.32 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2kff h ASN 83 CO 0.52 0.30 -0.06 0.74 -1.29 0.00 0.00 177.43 177.63 2kff h THR 84 N 0.50 0.89 -0.73 2.81 2.02 -1.99 0.86 112.91 117.28 2kff h THR 84 Ca 0.20 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 2kff h THR 84 Cb 0.16 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2kff h THR 84 CO -0.05 0.01 0.22 0.58 0.37 0.00 0.00 175.52 176.65 2kff h VAL 85 N -0.20 1.26 -0.79 3.16 2.07 -1.73 -1.62 116.25 118.40 2kff h VAL 85 Ca -0.02 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2kff h VAL 85 Cb 0.16 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2kff h VAL 85 CO 0.03 0.36 0.42 -0.07 0.02 0.00 0.00 177.57 178.33 2kff h LEU 86 N 1.09 0.99 -0.69 2.57 3.38 -0.95 -0.26 115.31 121.43 2kff h LEU 86 Ca 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2kff h LEU 86 Cb 0.32 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2kff h LEU 86 CO -0.01 0.81 0.34 1.23 0.09 0.00 0.00 178.44 180.91 2kff h GLY 87 N 1.10 1.06 0.74 0.83 0.00 -0.43 0.86 103.07 107.23 2kff h GLY 87 Ca 0.28 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.11 2kff h GLY 87 CO -0.04 0.49 -0.10 0.50 0.00 0.00 0.00 176.54 177.39 2kff h LYS 88 N 0.96 -0.16 -0.60 4.80 1.57 -0.78 -0.72 116.57 121.64 2kff h LYS 88 Ca 0.24 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 2kff h LYS 88 Cb 0.10 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2kff h LYS 88 CO -0.03 -0.11 0.11 0.82 -0.57 0.00 0.00 179.45 179.67 2kff h ILE 89 N -0.17 1.25 -0.08 1.86 2.04 -0.74 -1.63 117.51 120.04 2kff h ILE 89 Ca 0.04 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 2kff h ILE 89 Cb 0.22 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2kff h ILE 89 CO -0.10 0.35 0.04 -0.25 0.00 0.00 0.00 178.15 178.19 2kff h TRP 90 N 0.90 0.12 0.00 1.37 2.91 -0.67 0.23 115.95 120.81 2kff h TRP 90 Ca 0.19 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 2kff h TRP 90 Cb 0.38 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 28.99 2kff h TRP 90 CO 0.02 0.18 -0.10 -0.22 -1.03 0.00 0.00 178.44 177.29 2kff h LYS 91 N 0.02 0.00 0.02 2.65 1.63 -0.73 -1.13 116.57 119.03 2kff h LYS 91 Ca 0.03 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.60 2kff h LYS 91 Cb 0.10 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2kff h LYS 91 CO -0.00 0.10 -1.21 -0.07 -3.45 0.00 0.00 179.45 174.81 2kff h LEU 92 N 0.00 0.07 -1.00 5.20 3.38 -1.12 -3.39 115.31 118.44 2kff h LEU 92 Ca -0.00 -0.62 -0.06 0.00 0.09 0.00 0.00 57.88 57.28 2kff h LEU 92 Cb 0.30 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2kff h LEU 92 CO 0.01 1.49 0.02 0.00 0.09 0.00 0.00 178.44 180.05 2kff h ALA 93 N -0.36 1.18 -0.92 1.53 0.00 -0.34 -3.28 119.26 117.08 2kff h ALA 93 Ca -0.32 -0.24 -0.65 0.00 0.00 0.00 0.00 54.91 53.70 2kff h ALA 93 Cb 1.37 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 2kff h ALA 93 CO -0.14 0.54 1.98 0.34 0.00 0.00 0.00 179.25 181.97 2kff s ASP 94 N -6.65 6.69 0.12 0.00 2.15 -0.45 -4.55 116.67 113.99 2kff s ASP 94 Ca -0.09 -2.15 -0.13 0.00 0.43 0.00 0.00 52.55 50.61 2kff s ASP 94 Cb 0.15 -2.58 -0.10 0.00 -0.30 0.00 0.00 42.92 40.09 2kff s ASP 94 CO 0.80 -1.32 1.39 0.58 -0.17 0.00 0.00 175.17 176.45 2kff h VAL 95 N 5.92 1.28 0.00 1.11 2.07 -1.86 -2.99 116.25 121.80 2kff h VAL 95 Ca 0.38 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2kff h VAL 95 Cb 0.91 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2kff h VAL 95 CO 1.44 0.55 -0.13 -2.24 0.02 0.00 0.00 177.57 177.22 2kff h ASP 96 N 0.60 0.00 -5.47 0.57 2.03 -1.92 -3.48 116.42 108.75 2kff h ASP 96 Ca 0.01 -0.01 -0.26 0.00 -0.73 0.00 0.00 57.03 56.04 2kff h ASP 96 Cb 1.12 0.00 0.20 0.00 -0.83 0.00 0.00 39.33 39.82 2kff h ASP 96 CO 0.12 0.01 -0.85 0.29 -1.03 0.00 0.00 179.24 177.77 2kff n LYS 97 N -2.73 -2.63 -0.21 4.15 5.02 -1.13 -4.92 118.16 115.71 2kff n LYS 97 Ca 0.04 0.87 0.07 0.00 -2.02 0.00 0.00 58.31 57.27 2kff n LYS 97 Cb 0.49 -5.84 0.19 0.00 -0.02 0.00 0.00 35.03 29.86 2kff n LYS 97 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2kff n ASP 98 N -3.22 3.12 0.00 4.39 5.75 -1.26 -4.93 116.55 120.40 2kff n ASP 98 Ca -0.09 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 2kff n ASP 98 Cb 0.62 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 2kff n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kff n GLY 99 N 0.84 0.40 3.19 6.12 0.00 -1.26 -4.98 105.19 109.50 2kff n GLY 99 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2kff n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kff s LEU 100 N 0.00 1.48 -0.18 0.99 1.43 -1.26 -4.23 118.68 116.91 2kff s LEU 100 Ca 0.00 -1.31 0.01 0.00 -1.03 0.00 0.00 54.13 51.80 2kff s LEU 100 Cb 0.00 0.30 0.04 0.00 0.03 0.00 0.00 46.19 46.55 2kff s LEU 100 CO 0.00 -0.77 -0.11 -0.76 0.23 0.00 0.00 176.35 174.94 2kff s LEU 101 N -3.13 2.00 0.99 1.79 1.43 -0.77 -4.82 118.68 116.17 2kff s LEU 101 Ca 0.32 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 2kff s LEU 101 Cb 0.07 -1.18 0.21 0.00 0.03 0.00 0.00 46.19 45.33 2kff s LEU 101 CO 0.08 -0.12 1.30 1.51 0.23 0.00 0.00 176.35 179.34 2kff s ASP 102 N 1.46 2.87 0.57 2.29 1.47 -1.26 -0.77 116.67 123.29 2kff s ASP 102 Ca 0.01 0.32 0.28 0.00 1.18 0.00 0.00 52.55 54.34 2kff s ASP 102 Cb -0.15 -0.39 1.71 0.00 -0.34 0.00 0.00 42.92 43.75 2kff s ASP 102 CO -0.09 -2.89 2.21 -2.24 0.68 0.00 0.00 175.17 172.84 2kff h ASP 103 N -1.75 0.00 0.23 2.11 3.04 -1.98 0.15 116.42 118.22 2kff h ASP 103 Ca -0.44 0.00 -0.34 0.00 -3.24 0.00 0.00 57.03 53.01 2kff h ASP 103 Cb 1.24 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 39.56 2kff h ASP 103 CO 0.38 0.03 -1.54 -0.33 -2.04 0.00 0.00 179.24 175.74 2kff h GLU 104 N 0.00 0.49 -0.35 4.15 4.39 -1.97 -1.84 114.58 119.46 2kff h GLU 104 Ca -0.00 -0.84 -0.11 0.00 0.34 0.00 0.00 59.36 58.75 2kff h GLU 104 Cb 0.08 0.31 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2kff h GLU 104 CO 0.00 1.40 -0.23 0.93 -1.16 0.00 0.00 179.01 179.96 2kff h GLU 105 N 0.11 0.68 -0.03 2.33 5.08 -1.52 -0.76 114.58 120.46 2kff h GLU 105 Ca -0.28 -0.27 -0.18 0.00 -1.00 0.00 0.00 59.36 57.64 2kff h GLU 105 Cb 2.13 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.33 2kff h GLU 105 CO 0.24 0.85 -0.76 0.35 -1.00 0.00 0.00 179.01 178.69 2kff h PHE 106 N 0.59 0.34 -0.42 4.33 3.57 -0.85 -1.40 116.94 123.10 2kff h PHE 106 Ca 0.08 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 2kff h PHE 106 Cb 0.71 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2kff h PHE 106 CO 0.03 0.91 0.22 0.00 -2.23 0.00 0.00 178.31 177.25 2kff h ALA 107 N 1.04 0.54 -0.47 2.41 0.00 -0.87 0.45 119.26 122.35 2kff h ALA 107 Ca -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2kff h ALA 107 Cb 1.34 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2kff h ALA 107 CO 0.12 0.07 0.27 1.25 0.00 0.00 0.00 179.25 180.96 2kff h LEU 108 N 0.54 0.58 -0.20 0.00 5.85 -1.07 -1.51 115.31 119.51 2kff h LEU 108 Ca 0.15 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2kff h LEU 108 Cb 0.07 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2kff h LEU 108 CO -0.02 0.49 -0.05 0.00 -0.34 0.00 0.00 178.44 178.52 2kff h ALA 109 N 1.12 0.13 -0.89 1.25 0.00 -0.78 0.71 119.26 120.81 2kff h ALA 109 Ca 0.17 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2kff h ALA 109 Cb 0.02 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2kff h ALA 109 CO -0.03 -0.48 0.55 -0.91 0.00 0.00 0.00 179.25 178.38 2kff h ASN 110 N 0.00 1.06 -0.30 0.00 -0.26 -0.73 -0.55 115.58 114.80 2kff h ASN 110 Ca 0.10 -0.06 -0.14 0.00 -0.56 0.00 0.00 56.30 55.64 2kff h ASN 110 Cb 0.14 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 2kff h ASN 110 CO -0.20 0.81 -0.33 -0.74 -1.06 0.00 0.00 177.43 175.90 2kff h HIS 111 N 1.23 0.97 -0.49 1.19 2.76 -0.61 0.13 115.15 120.33 2kff h HIS 111 Ca 0.32 -0.27 -0.11 0.00 -2.20 0.00 0.00 60.37 58.12 2kff h HIS 111 Cb -0.07 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 2kff h HIS 111 CO 0.00 1.04 -0.12 -0.07 -1.30 0.00 0.00 177.93 177.49 2kff h LEU 112 N 0.69 0.91 -0.78 0.26 3.38 -0.42 -1.28 115.31 118.07 2kff h LEU 112 Ca 0.07 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 2kff h LEU 112 Cb 0.88 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2kff h LEU 112 CO 0.08 1.03 -0.50 0.40 0.09 0.00 0.00 178.44 179.54 2kff h ILE 113 N 0.81 1.34 0.27 1.22 2.04 -0.95 -1.95 117.51 120.30 2kff h ILE 113 Ca 0.13 -1.73 -0.01 0.00 1.00 0.00 0.00 64.86 64.25 2kff h ILE 113 Cb 0.65 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2kff h ILE 113 CO 0.04 0.52 -0.17 0.50 0.00 0.00 0.00 178.15 179.04 2kff h LYS 114 N 0.22 -0.42 -0.35 2.37 1.63 -0.28 0.48 116.57 120.23 2kff h LYS 114 Ca 0.01 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.79 2kff h LYS 114 Cb 0.96 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 2kff h LYS 114 CO 0.08 -0.28 -0.01 -0.39 -3.45 0.00 0.00 179.45 175.40 2kff h VAL 115 N -0.43 1.20 -0.40 2.00 -1.51 -1.20 0.21 116.25 116.13 2kff h VAL 115 Ca -0.03 -0.81 0.07 0.00 -1.23 0.00 0.00 66.70 64.70 2kff h VAL 115 Cb 0.36 0.95 -0.06 0.00 -2.13 0.00 0.00 31.29 30.41 2kff h VAL 115 CO 0.02 0.28 -0.00 0.11 -1.23 0.00 0.00 177.57 176.75 2kff h LYS 116 N 0.52 0.10 0.00 5.19 1.79 -1.08 -1.45 116.57 121.64 2kff h LYS 116 Ca 0.11 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 2kff h LYS 116 Cb 0.35 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2kff h LYS 116 CO 0.01 0.07 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.24 2kff h LEU 117 N 0.10 0.00 0.00 2.94 3.38 0.80 -1.53 115.31 121.00 2kff h LEU 117 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2kff h LEU 117 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kff h LEU 117 CO -0.33 0.13 0.00 -0.62 0.09 0.00 0.00 178.44 177.72 2kff n GLU 118 N -3.31 0.58 -1.66 1.13 -0.58 0.59 -4.86 120.64 112.53 2kff n GLU 118 Ca 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2kff n GLU 118 Cb 0.36 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 2kff n GLU 118 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kff n GLY 119 N 0.60 0.91 3.42 0.62 0.00 -0.58 -5.05 105.19 105.11 2kff n GLY 119 Ca 0.15 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 2kff n GLY 119 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kff s HIS 120 N -2.42 1.78 -0.15 1.61 3.76 -0.59 -5.04 115.29 114.24 2kff s HIS 120 Ca 0.00 -1.14 0.01 0.00 -0.15 0.00 0.00 55.06 53.79 2kff s HIS 120 Cb 0.00 -1.12 0.02 0.00 1.11 0.00 0.00 32.58 32.59 2kff s HIS 120 CO 0.00 -0.21 -0.18 -1.21 -0.85 0.00 0.00 174.74 172.30 2kff s GLU 121 N -3.87 2.62 0.55 1.40 0.41 -1.26 -4.01 118.70 114.54 2kff s GLU 121 Ca 0.33 -0.69 -0.22 0.00 -0.41 0.00 0.00 54.97 53.99 2kff s GLU 121 Cb 0.07 -2.27 -0.05 0.00 -1.78 0.00 0.00 34.13 30.10 2kff s GLU 121 CO 0.15 -0.16 1.35 -0.48 -0.49 0.00 0.00 175.26 175.63 2kff s LEU 122 N 1.21 3.84 0.00 1.80 0.05 -1.26 -4.88 118.68 119.44 2kff s LEU 122 Ca 0.01 2.75 0.08 0.00 0.05 0.00 0.00 54.13 57.01 2kff s LEU 122 Cb -0.14 -4.29 0.47 0.00 -2.05 0.00 0.00 46.19 40.18 2kff s LEU 122 CO -0.08 -1.58 1.01 -0.81 -0.55 0.00 0.00 176.35 174.34 2kff n PRO 123 N -1.07 0.64 -1.47 1.48 -0.04 -1.26 -4.80 135.00 128.48 2kff n PRO 123 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 2kff n PRO 123 Cb 0.45 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.65 2kff n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kff n ALA 124 N -0.69 -0.24 -2.24 0.55 0.00 -1.26 -4.94 120.51 111.68 2kff n ALA 124 Ca 0.06 0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.62 2kff n ALA 124 Cb 0.03 -1.91 -0.10 0.00 0.00 0.00 0.00 19.45 17.46 2kff n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kff s ASP 125 N -2.61 0.93 -0.53 0.00 2.15 -1.26 -5.01 116.67 110.34 2kff s ASP 125 Ca 0.00 -1.27 -0.01 0.00 0.43 0.00 0.00 52.55 51.70 2kff s ASP 125 Cb 0.00 0.19 0.14 0.00 -0.30 0.00 0.00 42.92 42.95 2kff s ASP 125 CO 0.00 -0.68 0.32 -0.76 -0.17 0.00 0.00 175.17 173.88 2kff s LEU 126 N -3.19 5.00 0.98 -1.34 1.43 -1.26 -5.05 118.68 115.25 2kff s LEU 126 Ca 0.30 -2.66 -0.12 0.00 -1.03 0.00 0.00 54.13 50.62 2kff s LEU 126 Cb 0.07 -1.78 0.18 0.00 0.03 0.00 0.00 46.19 44.69 2kff s LEU 126 CO 0.07 -0.38 1.08 -2.16 0.23 0.00 0.00 176.35 175.20 2kff s PRO 127 N 0.22 0.53 0.00 1.29 0.04 -1.26 -4.76 135.00 131.06 2kff s PRO 127 Ca 0.15 0.87 0.05 0.00 0.04 0.00 0.00 61.00 62.10 2kff s PRO 127 Cb -0.22 -1.72 0.29 0.00 0.04 0.00 0.00 34.50 32.89 2kff s PRO 127 CO -0.03 -2.75 0.68 -0.35 0.04 0.00 0.00 177.00 174.58 2kff n PRO 128 N -4.24 0.23 -0.08 0.56 -0.04 -1.26 -1.01 135.00 129.16 2kff n PRO 128 Ca 0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.56 2kff n PRO 128 Cb 0.55 -1.33 0.08 0.00 -0.04 0.00 0.00 33.50 32.76 2kff n PRO 128 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2kff n HIS 129 N -0.83 0.20 -0.02 0.54 1.44 -1.26 -4.60 115.22 110.68 2kff n HIS 129 Ca 0.04 -0.33 -0.03 0.00 -2.01 0.00 0.00 57.72 55.38 2kff n HIS 129 Cb 0.02 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.07 2kff n HIS 129 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2kff n LEU 130 N 0.24 1.29 -4.63 2.39 4.77 -0.18 -4.48 117.00 116.40 2kff n LEU 130 Ca 0.06 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 2kff n LEU 130 Cb 0.30 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2kff n LEU 130 CO 0.05 0.31 1.14 0.54 -1.33 0.00 0.00 177.39 178.10 2kff s VAL 131 N -2.10 4.13 0.64 4.08 0.11 -1.12 -4.99 120.40 121.14 2kff s VAL 131 Ca -0.04 1.28 -0.17 0.00 -2.93 0.00 0.00 61.98 60.12 2kff s VAL 131 Cb 0.01 -4.13 -0.01 0.00 -1.53 0.00 0.00 36.38 30.72 2kff s VAL 131 CO 0.15 -0.45 1.15 -2.16 -3.33 0.00 0.00 175.10 170.46 2kff s PRO 132 N 4.16 2.81 0.01 1.54 0.04 -1.26 -4.89 135.00 137.41 2kff s PRO 132 Ca 0.57 1.60 0.03 0.00 0.04 0.00 0.00 61.00 63.24 2kff s PRO 132 Cb -0.17 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.56 2kff s PRO 132 CO 0.23 -1.28 1.09 -2.30 0.04 0.00 0.00 177.00 174.78 2kff n PRO 133 N -2.08 0.00 0.28 0.56 -0.02 -1.26 -1.11 135.00 131.37 2kff n PRO 133 Ca 0.12 0.46 0.18 0.00 -2.02 0.00 0.00 63.50 62.24 2kff n PRO 133 Cb 0.51 -1.51 0.82 0.00 -0.02 0.00 0.00 33.50 33.29 2kff n PRO 133 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kff h SER 134 N 0.00 0.00 -0.56 2.55 0.87 -2.02 -2.27 113.55 112.12 2kff h SER 134 Ca 0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 2kff h SER 134 Cb 0.04 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 61.78 2kff h SER 134 CO 0.00 0.00 -0.16 0.29 -0.53 0.00 0.00 176.83 176.43 2kff n LYS 135 N -2.98 2.46 -3.88 2.24 4.01 -0.27 -4.95 118.16 114.80 2kff n LYS 135 Ca -0.00 -3.50 -0.35 0.00 -0.51 0.00 0.00 58.31 53.95 2kff n LYS 135 Cb 0.22 -2.02 -0.09 0.00 -0.51 0.00 0.00 35.03 32.63 2kff n LYS 135 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2kff s ARG 136 N -3.44 4.02 -0.47 1.97 1.81 -0.86 -5.00 118.95 116.98 2kff s ARG 136 Ca 0.49 -0.31 -0.29 0.00 -1.72 0.00 0.00 55.73 53.90 2kff s ARG 136 Cb 0.42 -3.32 0.02 0.00 -0.45 0.00 0.00 34.95 31.63 2kff s ARG 136 CO 0.01 0.22 1.25 1.03 -0.68 0.00 0.00 175.30 177.13 2kff s ARG 137 N 0.54 3.63 -0.19 3.54 0.52 -1.26 -4.97 118.95 120.76 2kff s ARG 137 Ca 0.05 0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 55.90 2kff s ARG 137 Cb -0.12 -3.97 0.06 0.00 0.52 0.00 0.00 34.95 31.43 2kff s ARG 137 CO 0.01 -1.51 0.01 -1.58 0.02 0.00 0.00 175.30 172.25 2kff s HIS 138 N 4.94 1.31 -2.10 -0.53 2.46 -1.26 -5.26 115.29 114.84 2kff s HIS 138 Ca 0.52 -1.00 0.31 0.00 0.47 0.00 0.00 55.06 55.36 2kff s HIS 138 Cb -0.09 -1.14 1.73 0.00 -0.13 0.00 0.00 32.58 32.95 2kff s HIS 138 CO 0.31 -0.63 2.13 0.39 -2.47 0.00 0.00 174.74 174.48