#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kff s PRO 36 N 0.00 4.01 -0.85 1.61 0.02 -1.26 -5.00 135.00 133.54 2kff s PRO 36 Ca 0.00 1.55 -0.14 0.00 0.02 0.00 0.00 61.00 62.43 2kff s PRO 36 Cb 0.00 -2.44 0.21 0.00 0.02 0.00 0.00 34.50 32.29 2kff s PRO 36 CO 0.00 -0.29 0.81 -0.51 -0.33 0.00 0.00 177.00 176.69 2kff s LEU 37 N -2.87 6.59 0.00 -5.54 1.43 -1.26 -4.94 118.68 112.09 2kff s LEU 37 Ca 0.61 -2.65 0.00 0.00 -1.03 0.00 0.00 54.13 51.05 2kff s LEU 37 Cb -0.23 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.76 2kff s LEU 37 CO 0.28 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.86 2kff n GLY 38 N 4.09 -1.27 2.41 -3.19 0.00 -1.26 -5.03 105.19 100.95 2kff n GLY 38 Ca 0.15 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 2kff n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kff n SER 39 N 2.58 -5.36 -4.59 1.61 7.64 -1.26 -4.95 113.62 109.28 2kff n SER 39 Ca 0.00 0.12 -0.39 0.00 1.01 0.00 0.00 58.87 59.61 2kff n SER 39 Cb 0.00 -4.44 -0.10 0.00 -1.01 0.00 0.00 64.21 58.66 2kff n SER 39 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kff s ASP 40 N -2.35 6.18 -0.00 6.43 2.15 -1.26 -5.06 116.67 122.76 2kff s ASP 40 Ca 0.00 0.13 0.07 0.00 0.43 0.00 0.00 52.55 53.18 2kff s ASP 40 Cb 0.00 -2.18 -0.02 0.00 -0.30 0.00 0.00 42.92 40.42 2kff s ASP 40 CO 0.00 -0.17 -0.22 -1.81 -0.17 0.00 0.00 175.17 172.80 2kff s ASP 41 N 1.69 2.62 0.08 -0.34 1.01 -1.26 -5.13 116.67 115.34 2kff s ASP 41 Ca 0.12 -0.43 -0.19 0.00 0.71 0.00 0.00 52.55 52.76 2kff s ASP 41 Cb -0.16 -0.28 -0.07 0.00 1.01 0.00 0.00 42.92 43.43 2kff s ASP 41 CO 0.10 0.25 0.57 0.54 0.21 0.00 0.00 175.17 176.85 2kff s VAL 42 N -0.58 4.73 -0.53 -1.27 0.11 -1.26 -5.01 120.40 116.59 2kff s VAL 42 Ca 0.09 1.21 -0.28 0.00 -2.93 0.00 0.00 61.98 60.07 2kff s VAL 42 Cb -0.09 -3.90 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 2kff s VAL 42 CO -0.00 0.54 1.54 -0.70 -3.33 0.00 0.00 175.10 173.14 2kff s GLU 43 N -1.16 3.21 -0.44 1.54 2.56 -1.26 -4.96 118.70 118.18 2kff s GLU 43 Ca 0.30 0.63 -0.27 0.00 0.00 0.00 0.00 54.97 55.62 2kff s GLU 43 Cb -0.19 -4.17 0.03 0.00 2.00 0.00 0.00 34.13 31.79 2kff s GLU 43 CO 0.19 -2.04 1.02 -0.46 -0.56 0.00 0.00 175.26 173.41 2kff s TRP 44 N 6.62 2.92 0.25 5.30 -0.00 -1.26 -4.90 118.94 127.86 2kff s TRP 44 Ca 0.59 0.63 -0.06 0.00 -0.00 0.00 0.00 56.10 57.26 2kff s TRP 44 Cb -0.13 -4.09 0.30 0.00 -0.00 0.00 0.00 33.47 29.56 2kff s TRP 44 CO 0.26 -1.10 1.89 0.28 -0.00 0.00 0.00 176.95 178.27 2kff h VAL 45 N 6.08 1.15 -0.04 5.86 2.07 -1.94 0.04 116.25 129.47 2kff h VAL 45 Ca -0.23 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2kff h VAL 45 Cb 1.07 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2kff h VAL 45 CO 1.06 0.21 0.00 1.33 0.02 0.00 0.00 177.57 180.19 2kff n VAL 46 N -4.50 0.03 0.02 2.57 0.24 -1.26 -1.04 118.33 114.38 2kff n VAL 46 Ca 0.12 -0.30 -0.10 0.00 -2.04 0.00 0.00 64.34 62.02 2kff n VAL 46 Cb 0.10 0.64 -0.13 0.00 -1.47 0.00 0.00 33.84 32.97 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 4.84 0.07 1.88 7.63 0.00 -1.40 -2.72 103.07 113.37 2kff h GLY 47 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 47.33 46.95 2kff h GLY 47 CO 0.00 0.15 -1.04 1.70 0.00 0.00 0.00 176.54 177.34 2kff h LYS 48 N 0.02 0.00 -0.82 4.80 3.64 -1.27 -3.29 116.57 119.65 2kff h LYS 48 Ca -0.20 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.71 2kff h LYS 48 Cb 1.94 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 33.50 2kff h LYS 48 CO 0.11 0.90 0.43 -3.47 -2.27 0.00 0.00 179.45 175.16 2kff n ASP 49 N -3.30 4.25 -0.02 4.20 2.03 -0.20 -4.68 116.55 118.83 2kff n ASP 49 Ca -0.02 -3.70 -0.18 0.00 0.52 0.00 0.00 54.79 51.41 2kff n ASP 49 Cb 0.94 -0.79 -0.14 0.00 -0.72 0.00 0.00 41.12 40.41 2kff n ASP 49 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2kff h LYS 50 N 1.26 0.15 -1.13 -0.67 3.11 -1.55 -3.36 116.57 114.38 2kff h LYS 50 Ca 0.51 -0.25 0.36 0.00 -2.81 0.00 0.00 60.65 58.47 2kff h LYS 50 Cb 2.10 0.09 -0.13 0.00 -1.00 0.00 0.00 32.23 33.29 2kff h LYS 50 CO 1.00 1.12 0.69 -1.00 -2.81 0.00 0.00 179.45 178.45 2kff h PRO 51 N -0.67 0.22 -0.11 1.90 0.13 -1.86 0.43 132.00 132.03 2kff h PRO 51 Ca -0.12 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.94 2kff h PRO 51 Cb 1.37 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2kff h PRO 51 CO 0.05 0.14 -0.16 1.15 -0.23 0.00 0.00 178.00 178.95 2kff h THR 52 N 0.22 1.37 0.00 1.56 2.02 -1.96 -0.05 112.91 116.08 2kff h THR 52 Ca 0.75 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 2kff h THR 52 Cb 2.02 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 70.45 2kff h THR 52 CO -0.49 0.40 -0.15 1.88 0.37 0.00 0.00 175.52 177.53 2kff h TYR 53 N -0.11 0.00 -0.03 3.16 0.05 -1.03 -2.48 116.97 116.52 2kff h TYR 53 Ca 0.01 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.59 2kff h TYR 53 Cb 0.72 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.47 2kff h TYR 53 CO 0.10 0.15 -0.79 0.22 -1.05 0.00 0.00 178.16 176.79 2kff h ASP 54 N 0.00 0.74 0.11 3.88 3.58 -0.13 -1.21 116.42 123.39 2kff h ASP 54 Ca -0.00 -0.72 0.02 0.00 0.42 0.00 0.00 57.03 56.75 2kff h ASP 54 Cb 0.75 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.54 2kff h ASP 54 CO 0.02 1.36 -0.30 -0.08 -2.88 0.00 0.00 179.24 177.36 2kff h GLU 55 N 0.19 -0.50 0.00 0.28 4.81 -0.74 -1.47 114.58 117.15 2kff h GLU 55 Ca -0.09 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2kff h GLU 55 Cb 1.46 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.95 2kff h GLU 55 CO 0.16 -0.33 -0.10 0.82 -0.73 0.00 0.00 179.01 178.82 2kff h ILE 56 N -0.52 0.70 0.02 2.32 2.04 -1.45 -1.34 117.51 119.29 2kff h ILE 56 Ca 0.03 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 2kff h ILE 56 Cb 0.55 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2kff h ILE 56 CO -0.18 0.10 -0.01 0.15 0.00 0.00 0.00 178.15 178.21 2kff h PHE 57 N 0.00 -0.02 0.00 1.37 3.57 -0.56 -3.19 116.94 118.11 2kff h PHE 57 Ca -0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2kff h PHE 57 Cb 0.24 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2kff h PHE 57 CO 0.00 0.45 -0.26 1.88 -2.23 0.00 0.00 178.31 178.15 2kff h TYR 58 N -0.51 0.00 0.00 0.41 0.05 -0.96 -2.84 116.97 113.13 2kff h TYR 58 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2kff h TYR 58 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2kff h TYR 58 CO 0.09 0.26 0.00 0.25 -1.05 0.00 0.00 178.16 177.71 2kff n THR 59 N -3.31 0.08 0.09 -2.88 -2.24 -0.53 -1.99 114.28 103.50 2kff n THR 59 Ca 0.01 0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.88 2kff n THR 59 Cb 0.51 -0.65 0.14 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.08 2.76 -2.56 3.22 4.77 -1.07 -5.03 117.00 118.01 2kff n LEU 60 Ca 0.16 -1.61 -0.02 0.00 -0.03 0.00 0.00 56.01 54.51 2kff n LEU 60 Cb 0.11 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2kff n LEU 60 CO 0.14 0.63 -0.28 -1.20 -1.33 0.00 0.00 177.39 175.36 2kff n SER 61 N 0.77 -7.08 -4.80 -1.43 7.64 -0.84 -4.91 113.62 102.97 2kff n SER 61 Ca 0.12 0.98 -0.39 0.00 1.01 0.00 0.00 58.87 60.59 2kff n SER 61 Cb 0.42 -4.69 -0.06 0.00 -1.01 0.00 0.00 64.21 58.87 2kff n SER 61 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2kff s PRO 62 N -1.69 4.27 -0.09 1.43 0.04 -1.26 -4.88 135.00 132.83 2kff s PRO 62 Ca 0.07 0.79 0.03 0.00 0.04 0.00 0.00 61.00 61.93 2kff s PRO 62 Cb -0.02 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 2kff s PRO 62 CO 0.66 0.57 -0.21 0.08 0.04 0.00 0.00 177.00 178.14 2kff s VAL 63 N -0.91 2.39 -1.93 -0.36 1.01 0.18 -4.53 120.40 116.26 2kff s VAL 63 Ca 0.30 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2kff s VAL 63 Cb -0.20 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.25 2kff s VAL 63 CO 0.20 0.56 0.00 0.59 0.00 0.00 0.00 175.10 176.44 2kff n ASN 64 N 3.28 -5.19 0.00 3.32 3.02 -1.26 -1.81 115.26 116.63 2kff n ASN 64 Ca -0.18 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 2kff n ASN 64 Cb 0.53 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 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 -0.74 0.73 3.29 7.41 0.00 -1.26 -5.05 105.19 109.57 2kff n GLY 65 Ca -0.18 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.66 1.41 0.02 1.61 1.02 -0.75 -3.82 119.74 118.57 2kff s LYS 66 Ca 0.00 -1.77 0.08 0.00 0.02 0.00 0.00 55.97 54.30 2kff s LYS 66 Cb 0.00 -0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.21 2kff s LYS 66 CO 0.00 -0.36 -0.24 0.96 -0.92 0.00 0.00 175.35 174.79 2kff s ILE 67 N -3.82 1.95 0.87 2.17 -4.36 -0.22 0.49 121.20 118.28 2kff s ILE 67 Ca 0.38 -1.23 -0.13 0.00 -0.26 0.00 0.00 60.65 59.41 2kff s ILE 67 Cb 0.07 -1.66 0.12 0.00 1.25 0.00 0.00 42.46 42.24 2kff s ILE 67 CO 0.14 0.38 1.19 0.42 0.24 0.00 0.00 174.94 177.31 2kff s THR 68 N -0.73 1.99 0.53 8.37 -4.23 -1.26 -1.14 115.64 119.17 2kff s THR 68 Ca 0.10 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.85 2kff s THR 68 Cb -0.09 -2.92 0.38 0.00 1.34 0.00 0.00 72.50 71.21 2kff s THR 68 CO 0.01 0.00 2.02 1.23 -0.54 0.00 0.00 174.62 177.34 2kff h GLY 69 N -1.31 0.00 0.76 3.99 0.00 -1.97 -2.31 103.07 102.23 2kff h GLY 69 Ca -0.47 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.89 2kff h GLY 69 CO 0.60 0.00 0.18 0.00 0.00 0.00 0.00 176.54 177.32 2kff h ALA 70 N 1.76 0.47 0.04 3.60 0.00 -1.93 0.54 119.26 123.75 2kff h ALA 70 Ca 0.21 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.93 2kff h ALA 70 Cb 0.88 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.65 2kff h ALA 70 CO -0.00 -0.19 -0.87 -0.91 0.00 0.00 0.00 179.25 177.27 2kff h ASN 71 N 0.37 0.70 0.46 0.00 4.21 -1.77 -1.92 115.58 117.62 2kff h ASN 71 Ca 0.17 -0.79 -0.10 0.00 1.21 0.00 0.00 56.30 56.79 2kff h ASN 71 Cb 0.10 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 2kff h ASN 71 CO -0.13 1.40 -0.45 0.00 -1.29 0.00 0.00 177.43 176.95 2kff h ALA 72 N 0.31 1.24 0.01 -0.83 0.00 -1.51 -1.99 119.26 116.49 2kff h ALA 72 Ca -0.12 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kff h ALA 72 Cb 1.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2kff h ALA 72 CO 0.17 0.57 -0.00 -0.22 0.00 0.00 0.00 179.25 179.76 2kff h LYS 73 N 0.00 -0.01 -0.83 0.00 3.64 -0.75 -0.28 116.57 118.34 2kff h LYS 73 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2kff h LYS 73 Cb 0.81 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 2kff h LYS 73 CO 0.06 0.43 0.46 1.57 -2.27 0.00 0.00 179.45 179.69 2kff h LYS 74 N -0.46 1.15 -0.07 1.90 2.10 -1.31 -0.48 116.57 119.41 2kff h LYS 74 Ca -0.00 -0.13 -0.00 0.00 -2.00 0.00 0.00 60.65 58.52 2kff h LYS 74 Cb 0.45 -0.23 -0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2kff h LYS 74 CO 0.00 0.84 0.04 1.49 -2.00 0.00 0.00 179.45 179.82 2kff h GLU 75 N 1.16 0.09 -0.16 0.07 4.57 -1.28 -2.26 114.58 116.77 2kff h GLU 75 Ca 0.29 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.40 2kff h GLU 75 Cb 0.02 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2kff h GLU 75 CO -0.05 0.13 -0.19 0.52 -1.18 0.00 0.00 179.01 178.24 2kff h MET 76 N 0.03 0.26 0.00 1.92 2.86 -0.63 -1.41 114.93 117.96 2kff h MET 76 Ca 0.02 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2kff h MET 76 Cb 0.07 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2kff h MET 76 CO -0.00 0.45 0.00 -0.39 1.06 0.00 0.00 176.91 178.03 2kff h VAL 77 N 0.24 0.00 -0.00 -2.22 -1.51 -0.86 -2.15 116.25 109.75 2kff h VAL 77 Ca 0.04 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 2kff h VAL 77 Cb 0.48 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2kff h VAL 77 CO 0.03 0.00 -0.70 2.29 -1.23 0.00 0.00 177.57 177.96 2kff n LYS 78 N -2.55 0.19 0.00 5.19 2.85 -0.87 -4.23 118.16 118.75 2kff n LYS 78 Ca 0.05 -0.14 0.11 0.00 -1.05 0.00 0.00 58.31 57.27 2kff n LYS 78 Cb 0.44 -1.50 0.62 0.00 -0.65 0.00 0.00 35.03 33.94 2kff n LYS 78 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2kff n SER 79 N -1.28 0.00 -0.28 -5.58 7.64 -0.58 -4.87 113.62 108.68 2kff n SER 79 Ca 0.06 -0.42 -0.04 0.00 1.01 0.00 0.00 58.87 59.49 2kff n SER 79 Cb 0.35 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.12 -0.41 -3.87 1.43 4.01 -1.25 -4.99 118.16 111.95 2kff n LYS 80 Ca 0.14 0.51 -0.33 0.00 -0.51 0.00 0.00 58.31 58.13 2kff n LYS 80 Cb 0.12 -4.13 -0.05 0.00 -0.51 0.00 0.00 35.03 30.46 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 -0.83 4.36 0.59 -0.35 1.02 -1.26 -5.08 118.68 117.13 2kff s LEU 81 Ca 0.00 0.37 -0.20 0.00 0.02 0.00 0.00 54.13 54.33 2kff s LEU 81 Cb 0.00 -2.75 -0.03 0.00 0.02 0.00 0.00 46.19 43.43 2kff s LEU 81 CO 0.00 0.23 1.28 -2.16 0.02 0.00 0.00 176.35 175.72 2kff s PRO 82 N -2.09 2.90 0.31 1.29 0.04 -1.26 -4.82 135.00 131.37 2kff s PRO 82 Ca 0.30 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.41 2kff s PRO 82 Cb -0.13 -2.01 0.69 0.00 0.04 0.00 0.00 34.50 33.09 2kff s PRO 82 CO 0.21 -1.31 1.83 -0.97 0.04 0.00 0.00 177.00 176.79 2kff h ASN 83 N 0.98 0.80 0.24 6.66 -0.00 -1.98 -1.10 115.58 121.19 2kff h ASN 83 Ca -0.51 0.06 -0.01 0.00 -0.00 0.00 0.00 56.30 55.84 2kff h ASN 83 Cb 1.31 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 39.54 2kff h ASN 83 CO 0.55 0.38 -0.12 0.74 -0.00 0.00 0.00 177.43 178.99 2kff h THR 84 N 0.84 0.80 -0.88 -3.57 2.02 -2.00 -1.68 112.91 108.44 2kff h THR 84 Ca 0.51 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.48 2kff h THR 84 Cb 0.69 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 2kff h THR 84 CO -0.28 0.05 0.58 0.58 0.37 0.00 0.00 175.52 176.82 2kff h VAL 85 N -0.45 1.15 -0.77 3.16 2.07 -1.74 -1.31 116.25 118.36 2kff h VAL 85 Ca -0.03 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.12 2kff h VAL 85 Cb 0.34 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 2kff h VAL 85 CO 0.05 0.20 0.51 -0.07 0.02 0.00 0.00 177.57 178.28 2kff h LEU 86 N 1.10 0.88 -0.60 2.57 3.38 -1.02 0.12 115.31 121.74 2kff h LEU 86 Ca 0.35 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 2kff h LEU 86 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2kff h LEU 86 CO -0.11 0.64 0.21 1.23 0.09 0.00 0.00 178.44 180.50 2kff h GLY 87 N 1.04 0.98 0.97 0.83 0.00 -0.34 -0.46 103.07 106.09 2kff h GLY 87 Ca 0.28 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 2kff h GLY 87 CO -0.06 0.53 0.17 0.50 0.00 0.00 0.00 176.54 177.68 2kff h LYS 88 N 0.84 0.42 -0.47 4.80 1.57 -0.68 -1.57 116.57 121.48 2kff h LYS 88 Ca 0.20 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2kff h LYS 88 Cb 0.25 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2kff h LYS 88 CO -0.01 0.34 0.22 0.82 -0.57 0.00 0.00 179.45 180.25 2kff h ILE 89 N 0.38 1.19 -0.51 1.86 2.04 -0.58 -1.84 117.51 120.05 2kff h ILE 89 Ca 0.11 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.47 2kff h ILE 89 Cb 0.04 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2kff h ILE 89 CO -0.02 0.21 0.26 -0.25 0.00 0.00 0.00 178.15 178.35 2kff h TRP 90 N 0.62 0.48 0.00 1.37 2.91 -0.92 0.42 115.95 120.82 2kff h TRP 90 Ca 0.16 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 2kff h TRP 90 Cb 0.13 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 28.63 2kff h TRP 90 CO -0.01 0.24 -0.09 -0.22 -1.03 0.00 0.00 178.44 177.33 2kff h LYS 91 N 0.51 0.00 0.00 2.65 3.64 -0.87 -1.09 116.57 121.41 2kff h LYS 91 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2kff h LYS 91 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2kff h LYS 91 CO -0.15 0.09 -1.22 1.28 -2.27 0.00 0.00 179.45 177.18 2kff n LEU 92 N -4.21 0.55 -0.01 5.20 4.77 -0.68 -4.40 117.00 118.22 2kff n LEU 92 Ca -0.03 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 2kff n LEU 92 Cb 0.17 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 2kff n LEU 92 CO 0.33 -0.01 -0.69 0.00 -1.33 0.00 0.00 177.39 175.69 2kff h ALA 93 N 2.32 0.35 -1.52 -1.18 0.00 0.64 -3.41 119.26 116.45 2kff h ALA 93 Ca 0.00 -1.30 -0.69 0.00 0.00 0.00 0.00 54.91 52.92 2kff h ALA 93 Cb 0.84 0.67 -0.15 0.00 0.00 0.00 0.00 17.79 19.15 2kff h ALA 93 CO 0.00 1.11 1.37 0.34 0.00 0.00 0.00 179.25 182.08 2kff s ASP 94 N -7.03 6.81 0.19 0.00 2.15 -0.49 -4.60 116.67 113.69 2kff s ASP 94 Ca -0.23 -2.38 -0.04 0.00 0.43 0.00 0.00 52.55 50.34 2kff s ASP 94 Cb 0.06 -2.46 0.10 0.00 -0.30 0.00 0.00 42.92 40.33 2kff s ASP 94 CO 0.74 -1.03 1.51 0.58 -0.17 0.00 0.00 175.17 176.80 2kff h VAL 95 N 5.50 1.31 0.00 1.11 2.07 -1.86 -2.64 116.25 121.75 2kff h VAL 95 Ca 0.27 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2kff h VAL 95 Cb 0.94 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2kff h VAL 95 CO 1.27 0.55 -0.21 -0.90 0.02 0.00 0.00 177.57 178.30 2kff n ASP 96 N -3.98 0.35 -3.55 0.57 5.75 -1.26 -4.95 116.55 109.48 2kff n ASP 96 Ca -0.03 0.27 -0.21 0.00 -0.01 0.00 0.00 54.79 54.81 2kff n ASP 96 Cb 0.59 -0.27 0.05 0.00 -1.03 0.00 0.00 41.12 40.46 2kff n ASP 96 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2kff n LYS 97 N -1.70 -3.95 -0.15 0.11 5.02 -1.00 -4.90 118.16 111.58 2kff n LYS 97 Ca 0.06 0.68 0.06 0.00 -2.02 0.00 0.00 58.31 57.09 2kff n LYS 97 Cb 0.37 -5.25 0.14 0.00 -0.02 0.00 0.00 35.03 30.26 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 -3.04 2.80 0.00 4.39 5.75 -1.26 -4.94 116.55 120.24 2kff n ASP 98 Ca -0.21 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 2kff n ASP 98 Cb 0.65 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.62 0.74 3.20 6.12 0.00 -1.26 -4.98 105.19 109.63 2kff n GLY 99 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 2.15 -0.33 0.99 1.43 -1.26 -3.57 118.68 118.08 2kff s LEU 100 Ca 0.00 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 2kff s LEU 100 Cb 0.00 -0.82 0.01 0.00 0.03 0.00 0.00 46.19 45.41 2kff s LEU 100 CO 0.00 0.12 0.17 -0.76 0.23 0.00 0.00 176.35 176.11 2kff s LEU 101 N -1.06 4.34 1.08 1.79 1.43 -0.29 -4.90 118.68 121.06 2kff s LEU 101 Ca 0.05 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.29 2kff s LEU 101 Cb -0.08 -2.01 0.23 0.00 0.03 0.00 0.00 46.19 44.36 2kff s LEU 101 CO 0.01 -0.27 1.09 -1.81 0.23 0.00 0.00 176.35 175.61 2kff s ASP 102 N 1.58 1.94 0.49 2.29 1.11 -1.26 -1.05 116.67 121.77 2kff s ASP 102 Ca 0.03 1.01 0.14 0.00 0.18 0.00 0.00 52.55 53.92 2kff s ASP 102 Cb -0.18 -1.56 1.16 0.00 1.07 0.00 0.00 42.92 43.41 2kff s ASP 102 CO 0.06 -3.54 2.12 -2.24 1.18 0.00 0.00 175.17 172.75 2kff h ASP 103 N -2.17 0.11 -0.12 0.27 2.03 -1.98 0.25 116.42 114.80 2kff h ASP 103 Ca -0.52 -0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.68 2kff h ASP 103 Cb 1.32 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 2kff h ASP 103 CO 0.51 0.09 -0.28 -0.33 -1.03 0.00 0.00 179.24 178.19 2kff h GLU 104 N 0.12 0.41 -0.10 4.15 5.08 -1.93 -1.80 114.58 120.52 2kff h GLU 104 Ca 0.03 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 57.98 2kff h GLU 104 Cb 0.01 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2kff h GLU 104 CO -0.01 0.89 -0.52 0.93 -1.00 0.00 0.00 179.01 179.30 2kff h GLU 105 N -0.00 0.27 -0.00 2.33 5.08 -1.57 -1.56 114.58 119.13 2kff h GLU 105 Ca -0.00 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.03 2kff h GLU 105 Cb 0.89 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2kff h GLU 105 CO 0.06 0.73 -0.78 0.35 -1.00 0.00 0.00 179.01 178.37 2kff h PHE 106 N 0.22 0.10 -0.61 4.33 3.57 -0.62 -1.57 116.94 122.36 2kff h PHE 106 Ca 0.01 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2kff h PHE 106 Cb 0.99 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2kff h PHE 106 CO 0.02 0.82 0.29 0.00 -2.23 0.00 0.00 178.31 177.21 2kff h ALA 107 N 1.16 1.37 0.10 2.41 0.00 -0.84 0.19 119.26 123.65 2kff h ALA 107 Ca -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kff h ALA 107 Cb 1.37 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2kff h ALA 107 CO 0.11 0.49 -0.05 -0.07 0.00 0.00 0.00 179.25 179.74 2kff h LEU 108 N 0.85 -0.11 -0.19 0.00 -0.00 -0.96 -0.86 115.31 114.04 2kff h LEU 108 Ca 0.21 -0.22 0.04 0.00 -0.00 0.00 0.00 57.88 57.91 2kff h LEU 108 Cb 0.09 0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 40.74 2kff h LEU 108 CO -0.03 0.16 -0.08 0.00 -0.00 0.00 0.00 178.44 178.49 2kff h ALA 109 N 0.49 0.08 -0.34 1.53 0.00 -1.01 -1.50 119.26 118.51 2kff h ALA 109 Ca -0.01 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2kff h ALA 109 Cb 0.32 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2kff h ALA 109 CO 0.02 -0.51 0.12 -0.97 0.00 0.00 0.00 179.25 177.91 2kff h ASN 110 N -0.06 0.43 -0.33 0.00 -0.73 -0.61 -1.23 115.58 113.04 2kff h ASN 110 Ca 0.10 -0.04 -0.10 0.00 1.87 0.00 0.00 56.30 58.13 2kff h ASN 110 Cb 0.21 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 2kff h ASN 110 CO -0.23 0.41 -0.17 -0.74 -0.37 0.00 0.00 177.43 176.33 2kff h HIS 111 N 0.48 0.81 -0.55 0.67 2.76 -0.42 0.19 115.15 119.09 2kff h HIS 111 Ca 0.12 -0.20 -0.08 0.00 -2.20 0.00 0.00 60.37 58.00 2kff h HIS 111 Cb 0.12 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2kff h HIS 111 CO 0.00 0.92 0.01 -0.07 -1.30 0.00 0.00 177.93 177.49 2kff h LEU 112 N 0.48 0.90 -0.43 0.26 3.38 -0.83 -1.40 115.31 117.67 2kff h LEU 112 Ca 0.07 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 2kff h LEU 112 Cb 0.70 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2kff h LEU 112 CO 0.05 0.96 -0.21 0.40 0.09 0.00 0.00 178.44 179.72 2kff h ILE 113 N 0.86 1.28 -0.14 1.22 2.04 -1.13 -2.36 117.51 119.28 2kff h ILE 113 Ca 0.16 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.67 2kff h ILE 113 Cb 0.49 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2kff h ILE 113 CO 0.02 0.46 0.06 0.50 0.00 0.00 0.00 178.15 179.19 2kff h LYS 114 N 0.73 0.13 -0.48 2.37 3.64 -0.28 -0.71 116.57 121.97 2kff h LYS 114 Ca 0.09 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2kff h LYS 114 Cb 0.78 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2kff h LYS 114 CO 0.06 0.09 0.11 -0.39 -2.27 0.00 0.00 179.45 177.05 2kff h VAL 115 N 0.13 1.21 -0.83 2.00 -1.51 -1.26 0.66 116.25 116.65 2kff h VAL 115 Ca 0.06 -0.75 0.05 0.00 -1.23 0.00 0.00 66.70 64.83 2kff h VAL 115 Cb 0.02 0.73 -0.05 0.00 -2.13 0.00 0.00 31.29 29.86 2kff h VAL 115 CO -0.05 0.28 0.55 0.11 -1.23 0.00 0.00 177.57 177.22 2kff h LYS 116 N 0.70 0.95 0.00 5.19 1.79 -0.86 0.46 116.57 124.81 2kff h LYS 116 Ca 0.16 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 2kff h LYS 116 Cb 0.27 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2kff h LYS 116 CO -0.00 0.63 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.74 2kff h LEU 117 N 0.98 0.00 -0.37 2.94 3.38 0.56 -2.43 115.31 120.38 2kff h LEU 117 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2kff h LEU 117 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2kff h LEU 117 CO -0.11 0.19 0.00 -0.62 0.09 0.00 0.00 178.44 177.99 2kff n GLU 118 N -3.27 1.25 -0.97 1.13 1.02 -0.22 -4.86 120.64 114.71 2kff n GLU 118 Ca 0.01 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 2kff n GLU 118 Cb 0.46 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 2kff n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kff n GLY 119 N 0.99 0.66 3.54 0.62 0.00 -0.91 -5.07 105.19 105.02 2kff n GLY 119 Ca 0.18 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 2.43 0.10 1.61 3.76 0.07 -5.02 115.29 116.24 2kff s HIS 120 Ca 0.00 -0.34 0.08 0.00 -0.15 0.00 0.00 55.06 54.65 2kff s HIS 120 Cb 0.00 -1.15 -0.04 0.00 1.11 0.00 0.00 32.58 32.50 2kff s HIS 120 CO 0.00 0.65 -0.17 -1.83 -0.85 0.00 0.00 174.74 172.54 2kff s GLU 121 N -3.59 1.90 0.19 1.40 1.03 -1.26 -3.11 118.70 115.26 2kff s GLU 121 Ca 0.31 -1.11 -0.13 0.00 0.03 0.00 0.00 54.97 54.06 2kff s GLU 121 Cb -0.04 -2.16 -0.07 0.00 -0.80 0.00 0.00 34.13 31.06 2kff s GLU 121 CO 0.17 0.50 0.58 -0.48 -1.33 0.00 0.00 175.26 174.70 2kff s LEU 122 N -2.02 4.27 0.00 1.83 2.34 -1.26 -4.95 118.68 118.88 2kff s LEU 122 Ca 0.18 1.08 0.10 0.00 0.06 0.00 0.00 54.13 55.55 2kff s LEU 122 Cb -0.11 -3.48 0.48 0.00 -0.56 0.00 0.00 46.19 42.52 2kff s LEU 122 CO 0.10 0.02 1.23 -2.65 -1.06 0.00 0.00 176.35 173.99 2kff n PRO 123 N 0.43 0.10 -1.32 1.48 -0.02 -1.26 -4.79 135.00 129.62 2kff n PRO 123 Ca -0.03 0.23 -0.11 0.00 -2.02 0.00 0.00 63.50 61.57 2kff n PRO 123 Cb 0.52 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.45 2kff n PRO 123 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kff n ALA 124 N -1.34 -0.17 -2.22 3.55 0.00 -1.26 -4.99 120.51 114.08 2kff n ALA 124 Ca 0.04 0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 2kff n ALA 124 Cb 0.09 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.74 1.09 -0.58 0.00 2.15 -1.26 -5.03 116.67 110.30 2kff s ASP 125 Ca 0.00 -1.15 -0.03 0.00 0.43 0.00 0.00 52.55 51.80 2kff s ASP 125 Cb 0.00 0.13 0.15 0.00 -0.30 0.00 0.00 42.92 42.91 2kff s ASP 125 CO 0.00 -0.57 0.40 -0.76 -0.17 0.00 0.00 175.17 174.07 2kff s LEU 126 N -3.13 5.31 0.74 -1.34 1.43 -1.26 -5.09 118.68 115.33 2kff s LEU 126 Ca 0.22 -2.65 -0.15 0.00 -1.03 0.00 0.00 54.13 50.51 2kff s LEU 126 Cb 0.06 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.45 2kff s LEU 126 CO 0.02 -0.42 1.15 -0.81 0.23 0.00 0.00 176.35 176.52 2kff n PRO 127 N 3.77 0.51 -0.22 1.29 -0.04 -1.26 -4.79 135.00 134.27 2kff n PRO 127 Ca 0.05 0.24 0.23 0.00 -0.04 0.00 0.00 63.50 63.98 2kff n PRO 127 Cb 0.39 -2.40 0.59 0.00 -0.04 0.00 0.00 33.50 32.04 2kff n PRO 127 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2kff h PRO 128 N -0.35 0.25 -0.07 0.54 0.13 -1.98 0.82 132.00 131.33 2kff h PRO 128 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kff h PRO 128 Cb 1.32 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kff h PRO 128 CO 0.48 0.17 0.00 -2.39 -0.23 0.00 0.00 178.00 176.02 2kff n HIS 129 N -4.44 0.10 -0.04 1.56 1.44 -1.26 -3.21 115.22 109.37 2kff n HIS 129 Ca 0.19 -0.05 -0.04 0.00 -2.01 0.00 0.00 57.72 55.82 2kff n HIS 129 Cb 0.80 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.84 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 -0.34 0.00 -4.66 2.39 4.77 0.27 -4.06 117.00 115.37 2kff n LEU 130 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 2kff n LEU 130 Cb 0.11 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2kff n LEU 130 CO 0.07 0.20 1.41 -0.69 -1.33 0.00 0.00 177.39 177.04 2kff s VAL 131 N -2.25 3.44 0.40 4.08 1.01 -1.17 -4.94 120.40 120.97 2kff s VAL 131 Ca -0.04 0.56 -0.25 0.00 0.00 0.00 0.00 61.98 62.25 2kff s VAL 131 Cb 0.03 -3.36 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 2kff s VAL 131 CO 0.36 -0.05 1.07 -0.81 0.00 0.00 0.00 175.10 175.67 2kff n PRO 132 N 7.09 1.48 0.14 2.72 -0.04 -1.26 -4.87 135.00 140.26 2kff n PRO 132 Ca 0.18 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.28 2kff n PRO 132 Cb 0.42 -2.09 0.51 0.00 -0.04 0.00 0.00 33.50 32.30 2kff n PRO 132 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2kff n PRO 133 N 0.21 0.19 0.20 0.54 -0.02 -1.26 -1.77 135.00 133.09 2kff n PRO 133 Ca 0.09 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 2kff n PRO 133 Cb 0.38 -1.89 0.23 0.00 -0.02 0.00 0.00 33.50 32.20 2kff n PRO 133 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2kff h SER 134 N 0.00 0.00 -0.78 2.55 4.64 -2.03 -3.05 113.55 114.88 2kff h SER 134 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 2kff h SER 134 Cb 0.31 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.13 2kff h SER 134 CO 0.00 0.00 0.30 0.29 -0.87 0.00 0.00 176.83 176.55 2kff n LYS 135 N -2.94 2.47 -3.43 4.77 4.01 -0.73 -5.00 118.16 117.33 2kff n LYS 135 Ca 0.04 -3.32 -0.31 0.00 -0.51 0.00 0.00 58.31 54.20 2kff n LYS 135 Cb 0.50 -2.13 -0.05 0.00 -0.51 0.00 0.00 35.03 32.85 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 -3.50 3.76 -0.04 1.97 1.81 -1.16 -4.94 118.95 116.86 2kff s ARG 136 Ca 0.55 0.20 0.07 0.00 -1.72 0.00 0.00 55.73 54.83 2kff s ARG 136 Cb 0.46 -2.66 -0.02 0.00 -0.45 0.00 0.00 34.95 32.28 2kff s ARG 136 CO 0.03 0.32 -0.25 1.03 -0.68 0.00 0.00 175.30 175.74 2kff s ARG 137 N -2.91 2.32 -0.14 3.54 1.81 -1.26 -5.12 118.95 117.19 2kff s ARG 137 Ca 0.46 -0.91 -0.07 0.00 -1.72 0.00 0.00 55.73 53.49 2kff s ARG 137 Cb -0.11 -2.10 -0.04 0.00 -0.45 0.00 0.00 34.95 32.24 2kff s ARG 137 CO 0.23 0.48 0.13 -1.58 -0.68 0.00 0.00 175.30 173.88 2kff s HIS 138 N -0.41 3.53 0.00 -0.53 2.46 -1.26 -5.26 115.29 113.82 2kff s HIS 138 Ca 0.04 0.46 0.00 0.00 0.47 0.00 0.00 55.06 56.03 2kff s HIS 138 Cb -0.12 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.35 2kff s HIS 138 CO 0.01 0.62 0.19 -0.85 -2.47 0.00 0.00 174.74 172.24