#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kff n PRO 36 N 0.00 2.43 0.00 1.61 -0.02 -1.26 -2.33 135.00 135.43 2kff n PRO 36 Ca 0.00 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2kff n PRO 36 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 30.82 2kff n PRO 36 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kff n LEU 37 N 0.03 0.00 0.00 2.45 4.32 -1.26 -4.76 117.00 117.78 2kff n LEU 37 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 2kff n LEU 37 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2kff n LEU 37 CO 0.61 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 2kff n GLY 38 N 0.00 0.11 3.45 -0.72 0.00 -0.99 -5.01 105.19 102.03 2kff n GLY 38 Ca 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 46.02 44.10 2kff n GLY 38 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kff s SER 39 N -4.00 -0.74 -0.91 1.61 0.15 -1.26 -4.51 113.70 104.04 2kff s SER 39 Ca 0.00 1.27 -0.22 0.00 0.70 0.00 0.00 55.95 57.70 2kff s SER 39 Cb 0.00 1.86 0.08 0.00 -1.71 0.00 0.00 66.02 66.25 2kff s SER 39 CO 0.00 -0.23 1.26 1.51 1.20 0.00 0.00 173.24 176.98 2kff s ASP 40 N 2.77 6.46 -0.36 5.45 -4.77 -1.26 -4.96 116.67 120.00 2kff s ASP 40 Ca -0.03 -1.48 -0.07 0.00 -3.30 0.00 0.00 52.55 47.67 2kff s ASP 40 Cb -0.12 -2.49 0.05 0.00 -1.09 0.00 0.00 42.92 39.26 2kff s ASP 40 CO -0.16 -1.39 0.14 -0.62 0.70 0.00 0.00 175.17 173.84 2kff s ASP 41 N 4.22 5.42 0.21 2.11 -1.08 -1.26 -5.08 116.67 121.21 2kff s ASP 41 Ca 0.37 -1.20 -0.15 0.00 -0.52 0.00 0.00 52.55 51.04 2kff s ASP 41 Cb -0.05 -1.90 -0.08 0.00 -1.46 0.00 0.00 42.92 39.43 2kff s ASP 41 CO -0.05 -0.37 0.64 -0.69 0.52 0.00 0.00 175.17 175.22 2kff s VAL 42 N 1.42 4.74 0.01 1.11 1.01 -1.26 -5.09 120.40 122.34 2kff s VAL 42 Ca -0.00 0.95 -0.03 0.00 0.00 0.00 0.00 61.98 62.90 2kff s VAL 42 Cb -0.20 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2kff s VAL 42 CO 0.03 0.11 0.05 -1.83 0.00 0.00 0.00 175.10 173.45 2kff s GLU 43 N -2.27 0.33 -0.16 2.72 -1.05 -1.26 -5.09 118.70 111.93 2kff s GLU 43 Ca 0.44 -0.42 -0.16 0.00 -0.15 0.00 0.00 54.97 54.68 2kff s GLU 43 Cb -0.14 0.13 -0.04 0.00 -0.44 0.00 0.00 34.13 33.64 2kff s GLU 43 CO 0.20 -0.07 0.40 -0.46 0.95 0.00 0.00 175.26 176.28 2kff s TRP 44 N -1.19 3.46 -0.25 4.83 -0.00 -1.26 -4.21 118.94 120.32 2kff s TRP 44 Ca -0.13 0.73 0.18 0.00 -0.00 0.00 0.00 56.10 56.87 2kff s TRP 44 Cb -0.08 -2.49 0.15 0.00 -0.00 0.00 0.00 33.47 31.05 2kff s TRP 44 CO 0.00 0.13 1.49 -0.24 -0.00 0.00 0.00 176.95 178.33 2kff h VAL 45 N 4.80 0.59 -0.02 5.86 3.04 -1.85 -3.16 116.25 125.51 2kff h VAL 45 Ca -0.40 -1.83 0.00 0.00 -1.01 0.00 0.00 66.70 63.46 2kff h VAL 45 Cb 1.17 2.28 0.00 0.00 -2.01 0.00 0.00 31.29 32.73 2kff h VAL 45 CO 0.75 0.33 0.00 1.33 -1.01 0.00 0.00 177.57 178.97 2kff n VAL 46 N -3.18 0.01 0.27 1.51 0.24 -1.26 -3.81 118.33 112.10 2kff n VAL 46 Ca 0.02 -0.21 0.13 0.00 -2.04 0.00 0.00 64.34 62.24 2kff n VAL 46 Cb 0.67 0.33 0.75 0.00 -1.47 0.00 0.00 33.84 34.12 2kff n VAL 46 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2kff h GLY 47 N 4.89 0.00 1.98 7.63 0.00 -1.96 -1.78 103.07 113.83 2kff h GLY 47 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2kff h GLY 47 CO 0.00 0.00 -0.79 0.07 0.00 0.00 0.00 176.54 175.82 2kff h LYS 48 N 0.00 0.00 -0.82 4.80 2.10 -1.83 -3.27 116.57 117.55 2kff h LYS 48 Ca -0.00 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.19 2kff h LYS 48 Cb 0.24 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.31 2kff h LYS 48 CO 0.01 0.77 0.44 -0.25 -2.00 0.00 0.00 179.45 178.42 2kff n ASP 49 N -3.29 4.09 -0.07 7.07 9.92 -0.69 -4.69 116.55 128.89 2kff n ASP 49 Ca 0.01 -3.69 -0.12 0.00 -0.53 0.00 0.00 54.79 50.45 2kff n ASP 49 Cb 0.85 -0.79 -0.11 0.00 -0.64 0.00 0.00 41.12 40.43 2kff n ASP 49 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2kff h LYS 50 N 1.21 -0.00 -0.30 -1.24 1.79 -1.55 -3.14 116.57 113.34 2kff h LYS 50 Ca 0.52 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 59.07 2kff h LYS 50 Cb 2.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.83 2kff h LYS 50 CO 0.99 0.87 0.29 -1.35 -1.08 0.00 0.00 179.45 179.17 2kff h PRO 51 N -0.99 0.00 -0.04 3.15 0.11 -1.87 0.26 132.00 132.62 2kff h PRO 51 Ca -0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 2kff h PRO 51 Cb 0.87 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.99 2kff h PRO 51 CO 0.00 0.00 -0.40 1.79 -0.21 0.00 0.00 178.00 179.18 2kff h THR 52 N 0.00 1.44 0.00 -1.15 1.35 -1.92 -0.46 112.91 112.17 2kff h THR 52 Ca 0.14 -1.87 -0.04 0.00 -0.55 0.00 0.00 66.41 64.09 2kff h THR 52 Cb 0.72 2.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.59 2kff h THR 52 CO -0.00 0.54 -0.21 1.88 -0.25 0.00 0.00 175.52 177.48 2kff h TYR 53 N -0.17 0.00 -0.09 4.73 0.05 -1.00 -2.22 116.97 118.28 2kff h TYR 53 Ca -0.04 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.60 2kff h TYR 53 Cb 1.09 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.83 2kff h TYR 53 CO 0.14 0.21 -0.51 -0.44 -1.05 0.00 0.00 178.16 176.51 2kff h ASP 54 N 0.00 0.60 -0.85 3.88 5.19 -0.56 -0.40 116.42 124.28 2kff h ASP 54 Ca -0.00 -0.66 0.05 0.00 -0.62 0.00 0.00 57.03 55.80 2kff h ASP 54 Cb 0.68 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 39.96 2kff h ASP 54 CO 0.03 1.16 0.56 -0.08 -3.12 0.00 0.00 179.24 177.78 2kff h GLU 55 N 0.07 0.96 -0.01 3.56 4.81 -0.56 0.17 114.58 123.58 2kff h GLU 55 Ca -0.04 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 58.92 2kff h GLU 55 Cb 1.16 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 2kff h GLU 55 CO 0.10 0.63 -0.90 0.82 -0.73 0.00 0.00 179.01 178.94 2kff h ILE 56 N 0.99 1.41 -0.54 2.32 2.04 -1.40 -3.31 117.51 119.01 2kff h ILE 56 Ca 0.36 -2.41 -0.04 0.00 1.00 0.00 0.00 64.86 63.77 2kff h ILE 56 Cb 0.15 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2kff h ILE 56 CO -0.12 0.72 0.20 0.15 0.00 0.00 0.00 178.15 179.10 2kff h PHE 57 N 0.23 0.85 0.00 1.37 3.57 0.37 -2.60 116.94 120.73 2kff h PHE 57 Ca -0.07 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 2kff h PHE 57 Cb 1.53 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 2kff h PHE 57 CO 0.05 0.70 -0.13 1.88 -2.23 0.00 0.00 178.31 178.59 2kff h TYR 58 N 0.75 0.00 -0.18 0.41 -1.99 -1.12 -2.65 116.97 112.20 2kff h TYR 58 Ca 0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.91 2kff h TYR 58 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.96 2kff h TYR 58 CO 0.01 0.13 0.00 0.25 -0.00 0.00 0.00 178.16 178.55 2kff n THR 59 N -3.42 0.23 0.02 -2.88 -2.24 -0.98 -2.96 114.28 102.06 2kff n THR 59 Ca -0.01 -0.25 0.05 0.00 -2.27 0.00 0.00 64.05 61.57 2kff n THR 59 Cb 0.30 0.12 0.10 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.03 2.47 -2.38 3.22 4.77 -1.00 -5.05 117.00 119.06 2kff n LEU 60 Ca 0.09 -1.69 -0.01 0.00 -0.03 0.00 0.00 56.01 54.37 2kff n LEU 60 Cb 0.18 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2kff n LEU 60 CO 0.06 0.59 -0.29 -0.24 -1.33 0.00 0.00 177.39 176.17 2kff n SER 61 N 0.40 -6.29 -4.75 -1.43 2.88 -1.16 -4.83 113.62 98.45 2kff n SER 61 Ca 0.08 0.93 -0.37 0.00 -1.33 0.00 0.00 58.87 58.18 2kff n SER 61 Cb 0.35 -4.10 -0.06 0.00 -0.75 0.00 0.00 64.21 59.64 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 -1.31 4.20 -0.11 -1.46 0.04 -1.26 -4.79 135.00 130.31 2kff s PRO 62 Ca 0.03 0.29 -0.00 0.00 0.04 0.00 0.00 61.00 61.35 2kff s PRO 62 Cb -0.01 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 2kff s PRO 62 CO 0.56 0.31 -0.10 0.14 0.04 0.00 0.00 177.00 177.95 2kff s VAL 63 N 0.18 3.41 -1.68 -0.36 -7.23 0.15 -4.52 120.40 110.36 2kff s VAL 63 Ca 0.21 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 2kff s VAL 63 Cb -0.14 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.37 2kff s VAL 63 CO 0.08 0.55 0.00 0.59 -0.31 0.00 0.00 175.10 176.01 2kff n ASN 64 N 3.00 -5.28 -1.65 4.85 3.02 -1.26 -2.00 115.26 115.95 2kff n ASN 64 Ca -0.18 0.13 -0.11 0.00 -0.03 0.00 0.00 54.58 54.39 2kff n ASN 64 Cb 0.53 -4.35 0.02 0.00 -0.61 0.00 0.00 39.78 35.36 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 -0.93 0.14 3.83 7.41 0.00 -1.26 -4.99 105.19 109.39 2kff n GLY 65 Ca -0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 2kff n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kff s LYS 66 N -5.21 1.24 0.11 1.61 -2.85 -0.85 -2.68 119.74 111.12 2kff s LYS 66 Ca 0.18 -0.76 0.05 0.00 -1.00 0.00 0.00 55.97 54.43 2kff s LYS 66 Cb -0.08 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 2kff s LYS 66 CO 0.22 -0.58 -0.12 0.96 0.10 0.00 0.00 175.35 175.93 2kff s ILE 67 N -2.53 1.12 0.77 3.79 -4.36 -0.10 0.35 121.20 120.24 2kff s ILE 67 Ca 0.18 -1.70 -0.12 0.00 -0.26 0.00 0.00 60.65 58.75 2kff s ILE 67 Cb -0.02 -1.47 0.05 0.00 1.25 0.00 0.00 42.46 42.28 2kff s ILE 67 CO 0.04 -0.51 1.13 0.42 0.24 0.00 0.00 174.94 176.26 2kff s THR 68 N -2.37 2.80 0.56 8.37 -4.23 -1.26 -1.60 115.64 117.90 2kff s THR 68 Ca 0.08 0.26 0.24 0.00 -1.18 0.00 0.00 61.69 61.09 2kff s THR 68 Cb -0.03 -3.22 0.32 0.00 1.34 0.00 0.00 72.50 70.91 2kff s THR 68 CO 0.01 -0.34 2.18 1.23 -0.54 0.00 0.00 174.62 177.16 2kff h GLY 69 N -0.90 0.00 0.95 3.99 0.00 -1.98 -2.88 103.07 102.25 2kff h GLY 69 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 2kff h GLY 69 CO 0.64 0.00 0.09 0.00 0.00 0.00 0.00 176.54 177.27 2kff h ALA 70 N 1.95 0.21 0.01 3.60 0.00 -1.93 -0.32 119.26 122.78 2kff h ALA 70 Ca 0.03 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2kff h ALA 70 Cb 0.14 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2kff h ALA 70 CO -0.00 -0.26 -0.81 -0.91 0.00 0.00 0.00 179.25 177.26 2kff h ASN 71 N 0.17 0.70 0.13 0.00 4.21 -1.83 -1.74 115.58 117.22 2kff h ASN 71 Ca 0.06 -0.76 -0.05 0.00 1.21 0.00 0.00 56.30 56.76 2kff h ASN 71 Cb 0.06 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.04 2kff h ASN 71 CO -0.01 1.37 -0.18 0.00 -1.29 0.00 0.00 177.43 177.32 2kff h ALA 72 N 0.34 1.60 0.26 -0.83 0.00 -1.57 -2.27 119.26 116.78 2kff h ALA 72 Ca -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2kff h ALA 72 Cb 1.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2kff h ALA 72 CO 0.16 0.30 -0.12 -0.22 0.00 0.00 0.00 179.25 179.36 2kff h LYS 73 N 0.09 -0.34 -0.57 0.00 3.64 -0.83 -1.21 116.57 117.36 2kff h LYS 73 Ca 0.02 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2kff h LYS 73 Cb 0.37 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2kff h LYS 73 CO 0.03 0.02 0.38 1.57 -2.27 0.00 0.00 179.45 179.17 2kff h LYS 74 N -0.81 0.52 0.27 1.90 2.10 -1.21 0.23 116.57 119.57 2kff h LYS 74 Ca -0.04 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 2kff h LYS 74 Cb 0.51 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2kff h LYS 74 CO 0.06 0.34 -0.13 1.49 -2.00 0.00 0.00 179.45 179.21 2kff h GLU 75 N 0.54 -0.35 0.00 0.07 4.57 -1.37 -1.83 114.58 116.21 2kff h GLU 75 Ca 0.25 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.40 2kff h GLU 75 Cb 0.28 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2kff h GLU 75 CO -0.07 -0.08 -0.22 0.52 -1.18 0.00 0.00 179.01 177.98 2kff h MET 76 N -0.60 0.00 0.10 1.92 2.86 -0.10 -1.94 114.93 117.17 2kff h MET 76 Ca -0.04 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.28 2kff h MET 76 Cb 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2kff h MET 76 CO 0.06 0.22 -1.72 -0.39 1.06 0.00 0.00 176.91 176.14 2kff h VAL 77 N 0.00 0.91 0.00 -2.22 -1.51 -0.61 -3.28 116.25 109.55 2kff h VAL 77 Ca -0.00 -2.63 0.00 0.00 -1.23 0.00 0.00 66.70 62.84 2kff h VAL 77 Cb 0.62 2.61 0.00 0.00 -2.13 0.00 0.00 31.29 32.38 2kff h VAL 77 CO 0.03 0.77 0.00 1.17 -1.23 0.00 0.00 177.57 178.31 2kff n LYS 78 N -3.38 0.18 0.04 5.19 0.00 -0.69 -1.13 118.16 118.37 2kff n LYS 78 Ca -0.21 0.01 0.08 0.00 0.00 0.00 0.00 58.31 58.19 2kff n LYS 78 Cb 1.05 -1.50 0.36 0.00 0.00 0.00 0.00 35.03 34.94 2kff n LYS 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2kff n SER 79 N -1.41 0.19 -1.89 3.14 7.64 -0.74 -4.91 113.62 115.64 2kff n SER 79 Ca 0.10 0.55 -0.09 0.00 1.01 0.00 0.00 58.87 60.44 2kff n SER 79 Cb 0.29 -0.59 0.04 0.00 -1.01 0.00 0.00 64.21 62.94 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 -1.71 -3.06 -4.66 1.43 4.01 -0.28 -5.06 118.16 108.82 2kff n LYS 80 Ca 0.03 0.35 -0.30 0.00 -0.51 0.00 0.00 58.31 57.88 2kff n LYS 80 Cb 0.18 -3.91 -0.14 0.00 -0.51 0.00 0.00 35.03 30.66 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 -3.72 2.28 0.40 -0.35 1.43 -1.26 -5.11 118.68 112.36 2kff s LEU 81 Ca 0.13 -0.64 -0.27 0.00 -1.03 0.00 0.00 54.13 52.32 2kff s LEU 81 Cb -0.06 -1.28 -0.10 0.00 0.03 0.00 0.00 46.19 44.78 2kff s LEU 81 CO 0.30 0.22 1.42 -0.81 0.23 0.00 0.00 176.35 177.72 2kff n PRO 82 N 1.38 2.39 0.21 1.29 -0.04 -1.26 -4.78 135.00 134.18 2kff n PRO 82 Ca -0.17 0.84 0.05 0.00 -0.04 0.00 0.00 63.50 64.19 2kff n PRO 82 Cb 0.52 -2.59 0.52 0.00 -0.04 0.00 0.00 33.50 31.91 2kff n PRO 82 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2kff h ASN 83 N 2.58 0.06 0.30 3.54 4.21 -1.98 -0.53 115.58 123.76 2kff h ASN 83 Ca -0.50 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 56.99 2kff h ASN 83 Cb 1.26 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 2kff h ASN 83 CO 0.62 0.18 -0.14 0.74 -1.29 0.00 0.00 177.43 177.53 2kff h THR 84 N 0.06 0.72 -0.55 2.81 2.02 -1.98 0.31 112.91 116.29 2kff h THR 84 Ca 0.01 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.16 2kff h THR 84 Cb 0.23 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 2kff h THR 84 CO 0.01 0.02 0.23 0.58 0.37 0.00 0.00 175.52 176.74 2kff h VAL 85 N -0.46 0.85 -0.76 3.16 2.07 -1.76 -0.78 116.25 118.57 2kff h VAL 85 Ca -0.04 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2kff h VAL 85 Cb 0.35 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2kff h VAL 85 CO 0.07 0.08 0.46 -0.07 0.02 0.00 0.00 177.57 178.13 2kff h LEU 86 N 0.44 0.90 -1.25 2.57 3.38 -0.89 -0.41 115.31 120.06 2kff h LEU 86 Ca 0.26 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2kff h LEU 86 Cb 0.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2kff h LEU 86 CO -0.24 0.70 -0.06 1.23 0.09 0.00 0.00 178.44 180.16 2kff h GLY 87 N 1.03 0.47 0.84 0.83 0.00 0.25 -0.81 103.07 105.69 2kff h GLY 87 Ca 0.27 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 2kff h GLY 87 CO -0.05 0.27 -0.09 0.50 0.00 0.00 0.00 176.54 177.17 2kff h LYS 88 N 0.42 0.48 -0.58 4.80 1.57 -0.37 -1.69 116.57 121.20 2kff h LYS 88 Ca 0.09 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2kff h LYS 88 Cb 0.37 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 2kff h LYS 88 CO 0.02 0.73 0.38 0.82 -0.57 0.00 0.00 179.45 180.83 2kff h ILE 89 N 0.20 1.12 -0.98 1.86 2.04 -0.70 -1.10 117.51 119.95 2kff h ILE 89 Ca 0.06 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.66 2kff h ILE 89 Cb 0.58 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 2kff h ILE 89 CO 0.03 0.14 0.64 -0.25 0.00 0.00 0.00 178.15 178.71 2kff h TRP 90 N 0.76 1.24 0.00 1.37 2.91 -1.14 0.19 115.95 121.28 2kff h TRP 90 Ca 0.22 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.25 2kff h TRP 90 Cb -0.06 -0.42 -0.00 0.00 -0.51 0.00 0.00 29.16 28.17 2kff h TRP 90 CO -0.04 0.79 -0.07 -0.22 -1.03 0.00 0.00 178.44 177.87 2kff h LYS 91 N 1.33 0.00 0.07 2.65 1.63 -0.26 0.28 116.57 122.27 2kff h LYS 91 Ca 0.36 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.79 2kff h LYS 91 Cb -0.14 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.46 2kff h LYS 91 CO -0.08 0.07 -2.12 1.28 -3.45 0.00 0.00 179.45 175.16 2kff n LEU 92 N -3.44 2.43 0.07 5.20 4.77 -0.60 -4.56 117.00 120.88 2kff n LEU 92 Ca -0.02 0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.88 2kff n LEU 92 Cb 0.22 -0.86 -0.14 0.00 -2.33 0.00 0.00 43.42 40.31 2kff n LEU 92 CO 0.28 0.82 -0.01 0.00 -1.33 0.00 0.00 177.39 177.15 2kff h ALA 93 N 0.19 -0.07 -0.89 -1.18 0.00 -0.18 -3.37 119.26 113.76 2kff h ALA 93 Ca -0.46 -0.73 -0.73 0.00 0.00 0.00 0.00 54.91 52.99 2kff h ALA 93 Cb 2.01 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 19.78 2kff h ALA 93 CO 0.04 0.50 2.13 -3.47 0.00 0.00 0.00 179.25 178.44 2kff n ASP 94 N -3.99 4.85 -0.16 0.00 2.03 0.93 -4.63 116.55 115.59 2kff n ASP 94 Ca -0.14 -3.00 -0.05 0.00 0.52 0.00 0.00 54.79 52.12 2kff n ASP 94 Cb 0.89 -1.57 0.13 0.00 -0.72 0.00 0.00 41.12 39.86 2kff n ASP 94 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2kff h VAL 95 N 4.21 1.24 0.00 5.18 2.07 -1.83 -1.93 116.25 125.20 2kff h VAL 95 Ca 0.42 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2kff h VAL 95 Cb 0.71 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2kff h VAL 95 CO 1.57 0.35 -0.02 0.44 0.02 0.00 0.00 177.57 179.93 2kff h ASP 96 N 0.86 0.00 -5.46 0.57 5.19 -1.94 -3.46 116.42 112.17 2kff h ASP 96 Ca 0.18 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 56.17 2kff h ASP 96 Cb 0.39 0.00 0.04 0.00 0.18 0.00 0.00 39.33 39.94 2kff h ASP 96 CO 0.01 0.02 -0.66 0.29 -3.12 0.00 0.00 179.24 175.79 2kff n LYS 97 N -3.12 -5.75 -0.16 3.56 5.02 -0.73 -4.86 118.16 112.12 2kff n LYS 97 Ca 0.01 0.75 0.07 0.00 -2.02 0.00 0.00 58.31 57.12 2kff n LYS 97 Cb 0.37 -5.66 0.20 0.00 -0.02 0.00 0.00 35.03 29.91 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 -2.71 1.87 0.00 4.39 5.75 -1.26 -4.87 116.55 119.71 2kff n ASP 98 Ca -0.03 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 2kff n ASP 98 Cb 0.57 -0.21 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 1.08 0.99 3.24 6.12 0.00 -1.26 -4.95 105.19 110.41 2kff n GLY 99 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 2.21 -0.34 0.99 1.43 -1.26 -3.72 118.68 117.99 2kff s LEU 100 Ca 0.00 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.44 2kff s LEU 100 Cb 0.00 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.36 2kff s LEU 100 CO 0.00 0.10 0.16 -0.76 0.23 0.00 0.00 176.35 176.08 2kff s LEU 101 N -1.41 4.36 1.04 1.79 1.43 -0.63 -4.91 118.68 120.35 2kff s LEU 101 Ca 0.06 -0.84 -0.17 0.00 -1.03 0.00 0.00 54.13 52.15 2kff s LEU 101 Cb -0.09 -1.97 0.22 0.00 0.03 0.00 0.00 46.19 44.38 2kff s LEU 101 CO 0.02 -0.29 1.21 1.51 0.23 0.00 0.00 176.35 179.03 2kff s ASP 102 N 1.54 2.38 0.54 2.29 1.47 -1.26 -0.92 116.67 122.71 2kff s ASP 102 Ca 0.02 0.53 0.21 0.00 1.18 0.00 0.00 52.55 54.49 2kff s ASP 102 Cb -0.18 -0.75 1.42 0.00 -0.34 0.00 0.00 42.92 43.07 2kff s ASP 102 CO 0.05 -3.21 2.15 -2.24 0.68 0.00 0.00 175.17 172.60 2kff h ASP 103 N -1.96 0.00 0.01 2.11 2.03 -1.90 0.21 116.42 116.92 2kff h ASP 103 Ca -0.46 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2kff h ASP 103 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2kff h ASP 103 CO 0.41 0.00 -0.00 -0.33 -1.03 0.00 0.00 179.24 178.29 2kff h GLU 104 N 0.00 -0.01 -0.72 4.15 4.39 -1.91 -2.01 114.58 118.47 2kff h GLU 104 Ca 0.03 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.77 2kff h GLU 104 Cb 0.15 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 2kff h GLU 104 CO -0.00 0.77 0.44 0.93 -1.16 0.00 0.00 179.01 179.99 2kff h GLU 105 N -0.81 0.82 0.00 2.33 5.08 -1.70 -1.32 114.58 118.98 2kff h GLU 105 Ca -0.00 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 2kff h GLU 105 Cb 0.78 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2kff h GLU 105 CO 0.00 0.54 -0.48 0.35 -1.00 0.00 0.00 179.01 178.43 2kff h PHE 106 N 0.85 0.00 -0.44 4.33 3.57 -0.68 -0.44 116.94 124.12 2kff h PHE 106 Ca 0.30 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 2kff h PHE 106 Cb 0.07 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 2kff h PHE 106 CO -0.05 0.48 0.05 0.00 -2.23 0.00 0.00 178.31 176.56 2kff h ALA 107 N 1.52 0.59 -0.29 2.41 0.00 -0.56 -0.73 119.26 122.20 2kff h ALA 107 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2kff h ALA 107 Cb 0.86 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kff h ALA 107 CO 0.06 0.33 0.13 1.25 0.00 0.00 0.00 179.25 181.02 2kff h LEU 108 N 0.60 0.40 -0.56 0.00 5.85 -0.74 -1.62 115.31 119.23 2kff h LEU 108 Ca 0.13 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2kff h LEU 108 Cb 0.41 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2kff h LEU 108 CO 0.01 0.44 0.33 0.00 -0.34 0.00 0.00 178.44 178.88 2kff h ALA 109 N 0.98 0.73 -0.22 1.25 0.00 -0.95 -1.22 119.26 119.83 2kff h ALA 109 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2kff h ALA 109 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kff h ALA 109 CO -0.01 0.05 -0.15 -0.91 0.00 0.00 0.00 179.25 178.23 2kff h ASN 110 N 0.66 0.36 -0.50 0.00 2.35 -0.97 -1.38 115.58 116.10 2kff h ASN 110 Ca 0.23 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 2kff h ASN 110 Cb 0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2kff h ASN 110 CO -0.11 0.54 -0.17 -0.74 -1.65 0.00 0.00 177.43 175.30 2kff h HIS 111 N 0.35 1.14 -0.41 1.19 2.76 -0.48 0.13 115.15 119.83 2kff h HIS 111 Ca 0.07 -0.26 -0.08 0.00 -2.20 0.00 0.00 60.37 57.89 2kff h HIS 111 Cb 0.48 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 2kff h HIS 111 CO 0.01 1.09 -0.08 -0.07 -1.30 0.00 0.00 177.93 177.58 2kff h LEU 112 N 0.86 0.68 -0.37 0.26 3.38 -0.84 -1.76 115.31 117.52 2kff h LEU 112 Ca 0.12 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 2kff h LEU 112 Cb 0.75 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kff h LEU 112 CO 0.06 0.80 -0.60 0.40 0.09 0.00 0.00 178.44 179.18 2kff h ILE 113 N 0.64 1.30 -0.14 1.22 2.04 -1.04 -1.63 117.51 119.91 2kff h ILE 113 Ca 0.12 -1.83 0.02 0.00 1.00 0.00 0.00 64.86 64.17 2kff h ILE 113 Cb 0.51 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 2kff h ILE 113 CO 0.03 0.58 -0.02 0.50 0.00 0.00 0.00 178.15 179.24 2kff h LYS 114 N 0.52 0.02 -0.55 2.37 3.64 -0.39 0.40 116.57 122.59 2kff h LYS 114 Ca -0.00 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2kff h LYS 114 Cb 1.19 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2kff h LYS 114 CO 0.12 0.02 -0.10 -0.39 -2.27 0.00 0.00 179.45 176.83 2kff h VAL 115 N 0.02 1.27 -0.58 2.00 -1.51 -1.32 0.18 116.25 116.31 2kff h VAL 115 Ca 0.06 -1.26 0.11 0.00 -1.23 0.00 0.00 66.70 64.38 2kff h VAL 115 Cb 0.09 0.96 -0.09 0.00 -2.13 0.00 0.00 31.29 30.12 2kff h VAL 115 CO -0.12 0.45 0.09 0.11 -1.23 0.00 0.00 177.57 176.86 2kff h LYS 116 N 0.91 0.21 -0.23 5.19 1.79 -0.98 0.50 116.57 123.95 2kff h LYS 116 Ca 0.14 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.46 2kff h LYS 116 Cb 0.67 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2kff h LYS 116 CO 0.05 0.14 -0.42 -0.07 -1.08 0.00 0.00 179.45 178.06 2kff h LEU 117 N 0.21 0.60 0.00 2.94 3.38 -0.42 -2.70 115.31 119.33 2kff h LEU 117 Ca 0.30 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kff h LEU 117 Cb 0.46 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kff h LEU 117 CO -0.42 0.95 0.00 -0.62 0.09 0.00 0.00 178.44 178.44 2kff n GLU 118 N -4.02 0.33 -0.77 1.13 -0.58 0.59 -4.85 120.64 112.47 2kff n GLU 118 Ca -0.02 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2kff n GLU 118 Cb 0.53 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 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 0.53 1.36 2.96 0.62 0.00 -0.53 -5.04 105.19 105.09 2kff n GLY 119 Ca 0.11 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.02 2.00 -0.27 1.61 3.76 0.16 -5.01 115.29 115.52 2kff s HIS 120 Ca 0.00 -1.20 -0.29 0.00 -0.15 0.00 0.00 55.06 53.42 2kff s HIS 120 Cb 0.00 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.22 2kff s HIS 120 CO 0.00 -0.65 1.17 -1.21 -0.85 0.00 0.00 174.74 173.20 2kff s GLU 121 N 1.54 4.08 0.41 1.40 0.41 -1.26 -2.81 118.70 122.47 2kff s GLU 121 Ca 0.02 1.27 -0.27 0.00 -0.41 0.00 0.00 54.97 55.58 2kff s GLU 121 Cb -0.14 -3.77 -0.10 0.00 -1.78 0.00 0.00 34.13 28.34 2kff s GLU 121 CO -0.09 -0.89 1.46 -0.48 -0.49 0.00 0.00 175.26 174.78 2kff s LEU 122 N 3.76 4.23 0.00 1.80 0.05 -1.26 -4.89 118.68 122.37 2kff s LEU 122 Ca 0.50 3.00 0.20 0.00 0.05 0.00 0.00 54.13 57.87 2kff s LEU 122 Cb -0.15 -3.78 1.13 0.00 -2.05 0.00 0.00 46.19 41.34 2kff s LEU 122 CO 0.16 -1.00 1.59 -0.81 -0.55 0.00 0.00 176.35 175.74 2kff n PRO 123 N 0.19 0.52 -1.86 1.48 -0.04 -1.26 -4.84 135.00 129.19 2kff n PRO 123 Ca 0.03 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.34 2kff n PRO 123 Cb 0.40 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.09 -0.38 -2.30 0.55 0.00 -1.26 -4.98 120.51 111.06 2kff n ALA 124 Ca 0.13 0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.67 2kff n ALA 124 Cb 0.10 -1.86 -0.10 0.00 0.00 0.00 0.00 19.45 17.58 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 -2.56 1.43 -0.59 0.00 2.15 -1.26 -5.02 116.67 110.82 2kff s ASP 125 Ca 0.00 -0.94 -0.04 0.00 0.43 0.00 0.00 52.55 52.00 2kff s ASP 125 Cb 0.00 0.04 0.15 0.00 -0.30 0.00 0.00 42.92 42.81 2kff s ASP 125 CO 0.00 -0.36 0.41 -0.76 -0.17 0.00 0.00 175.17 174.29 2kff s LEU 126 N -2.89 5.33 0.83 -1.34 1.43 -1.26 -5.06 118.68 115.71 2kff s LEU 126 Ca 0.11 -2.68 -0.10 0.00 -1.03 0.00 0.00 54.13 50.42 2kff s LEU 126 Cb 0.02 -1.87 0.09 0.00 0.03 0.00 0.00 46.19 44.46 2kff s LEU 126 CO -0.02 -0.42 1.11 -2.16 0.23 0.00 0.00 176.35 175.09 2kff s PRO 127 N 0.19 1.80 0.30 1.29 0.04 -1.26 -4.88 135.00 132.47 2kff s PRO 127 Ca 0.15 1.26 0.05 0.00 0.04 0.00 0.00 61.00 62.50 2kff s PRO 127 Cb -0.20 -1.84 0.78 0.00 0.04 0.00 0.00 34.50 33.28 2kff s PRO 127 CO -0.04 -1.99 1.69 -1.35 0.04 0.00 0.00 177.00 175.35 2kff h PRO 128 N -1.39 0.39 -0.02 0.56 0.11 -1.97 0.86 132.00 130.53 2kff h PRO 128 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kff h PRO 128 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kff h PRO 128 CO 0.49 0.26 0.00 -2.39 -0.21 0.00 0.00 178.00 176.14 2kff n HIS 129 N -5.04 0.00 -0.11 0.65 1.44 -1.26 -2.39 115.22 108.51 2kff n HIS 129 Ca 0.24 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.95 2kff n HIS 129 Cb 0.70 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.81 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 -0.49 1.20 -4.58 2.39 4.77 0.29 -2.32 117.00 118.26 2kff n LEU 130 Ca 0.00 -1.20 -0.41 0.00 -0.03 0.00 0.00 56.01 54.37 2kff n LEU 130 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2kff n LEU 130 CO 0.00 0.30 0.33 -0.69 -1.33 0.00 0.00 177.39 176.00 2kff s VAL 131 N -0.31 4.94 -0.01 4.08 1.01 -1.01 -4.94 120.40 124.17 2kff s VAL 131 Ca 0.00 0.59 -0.34 0.00 0.00 0.00 0.00 61.98 62.23 2kff s VAL 131 Cb 0.00 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 2kff s VAL 131 CO 0.00 -0.23 1.79 -2.65 0.00 0.00 0.00 175.10 174.02 2kff n PRO 132 N 5.90 2.18 0.00 2.72 -0.02 -1.26 -4.85 135.00 139.67 2kff n PRO 132 Ca -0.02 0.80 0.07 0.00 -2.02 0.00 0.00 63.50 62.33 2kff n PRO 132 Cb 0.49 -2.62 0.38 0.00 -0.02 0.00 0.00 33.50 31.73 2kff n PRO 132 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kff n PRO 133 N 5.72 0.25 0.24 0.52 -0.02 -1.26 -1.49 135.00 138.96 2kff n PRO 133 Ca 0.21 0.12 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 2kff n PRO 133 Cb 0.29 -1.50 0.40 0.00 -0.02 0.00 0.00 33.50 32.68 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 -0.71 2.55 0.87 -2.01 -3.07 113.55 111.19 2kff h SER 134 Ca 0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 2kff h SER 134 Cb 0.12 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 61.89 2kff h SER 134 CO 0.00 0.06 0.39 0.29 -0.53 0.00 0.00 176.83 177.04 2kff n LYS 135 N -3.14 2.53 -3.43 2.24 4.01 -0.55 -4.72 118.16 115.10 2kff n LYS 135 Ca 0.02 -2.42 -0.44 0.00 -0.51 0.00 0.00 58.31 54.96 2kff n LYS 135 Cb 0.44 -1.98 -0.04 0.00 -0.51 0.00 0.00 35.03 32.94 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 -2.56 3.30 -0.05 1.97 1.81 -1.16 -5.04 118.95 117.21 2kff s ARG 136 Ca 0.45 -2.43 0.06 0.00 -1.72 0.00 0.00 55.73 52.09 2kff s ARG 136 Cb 0.37 -4.24 -0.01 0.00 -0.45 0.00 0.00 34.95 30.61 2kff s ARG 136 CO 0.10 -1.26 -0.24 0.50 -0.68 0.00 0.00 175.30 173.71 2kff s ARG 137 N 0.20 2.51 -0.49 3.54 3.52 -1.26 -5.09 118.95 121.88 2kff s ARG 137 Ca 0.17 -0.89 -0.18 0.00 -0.13 0.00 0.00 55.73 54.69 2kff s ARG 137 Cb -0.14 -2.17 0.06 0.00 -1.56 0.00 0.00 34.95 31.14 2kff s ARG 137 CO -0.07 0.42 0.57 -1.58 -0.81 0.00 0.00 175.30 173.82 2kff s HIS 138 N -0.24 3.10 0.00 5.12 5.65 -1.26 -5.27 115.29 122.38 2kff s HIS 138 Ca -0.01 -0.59 0.00 0.00 0.25 0.00 0.00 55.06 54.71 2kff s HIS 138 Cb -0.13 -3.41 0.00 0.00 -1.18 0.00 0.00 32.58 27.86 2kff s HIS 138 CO 0.03 -0.96 0.00 -1.91 -0.65 0.00 0.00 174.74 171.25